summary_4comp_rutile_Ei_order_binmin.csv

Formula,Energy,sigma bond length,Bond length,O sigma,Cation sigma,DeltaH,T/K
"['Ti', 'Sn', 'Hf', 'Zr']",-3338.816787409748,0.0662548146077351,2.0753361022612373,0.3416893731499627,0.03292013679997158,0.07933175644151991,664.077664536033
"['Ti', 'Hf', 'Zr', 'Pb']",-3247.8706747827173,0.0863954948870423,2.101727516449318,0.6117650946455832,0.033513777989024246,0.10301896303456726,862.3607423258085
"['Ti', 'Sn', 'Hf', 'Pb']",-2941.5646225060677,0.0774150632200694,2.09143880532527,0.5567665881544815,0.033566951027316355,0.07814953570182226,654.1814209256547
"['Sn', 'Hf', 'Zr', 'Pb']",-2995.511415818972,0.0415800432906595,2.12855843786531,0.6359086378639318,0.03387005286530669,0.04703367140065762,393.7138424677177
"['Ge', 'Sn', 'Rh', 'Pt']",-2374.422031216067,0.0497138638994592,2.008925463210039,0.24427354192942755,0.0346369630319881,0.15666708821076103,1311.4434712580226
"['Ge', 'Sn', 'Hf', 'Zr']",-3092.549847501275,0.0666891480482774,2.061390985959252,0.45046459466009764,0.03465008027604795,0.11744152156615062,983.0904401908545
"['Sn', 'Hf', 'Zr', 'Ce']",-3304.095510238592,0.0621372748146357,2.145555068283564,0.3597935732792563,0.03587652142746194,0.1744461396268786,1460.270012755119
"['Ge', 'Ti', 'Sn', 'Hf']",-3044.7037444931684,0.0702855021702267,2.02248612022457,0.3424195340046779,0.0371262150836974,0.1008957428610806,844.5874929065271
"['Hf', 'Zr', 'Pb', 'Rh']",-2995.790084374443,0.0634737288641682,2.106797064807619,0.7009870946021521,0.038028984180476344,0.19651080452447367,1644.9709672179947
"['Sn', 'Hf', 'Pb', 'Rh']",-2693.4124570247814,0.0623047342664808,2.0982379203417105,0.5797316965248656,0.038285830177522705,0.14095055744963325,1179.8820699905216
"['Ge', 'Hf', 'Rh', 'Pt']",-2750.446099186876,0.0510456373099312,2.0104492164123755,0.5376432678146076,0.03828615541843584,0.1518381213876525,1271.02070547222
"['Sn', 'Hf', 'Pb', 'Pt']",-2633.45878215875,0.060433360374812,2.1062320401831447,0.5743084464706688,0.03846685836237587,0.08562670677297124,716.772021776971
"['Ti', 'Hf', 'Zr', 'Rh']",-3349.0437386444696,0.0627142015600004,2.0505838967095,0.5675920778326001,0.03861337800462621,0.15108793113368701,1264.7409429388094
"['Ti', 'Sn', 'Hf', 'Ru']",-3123.8241071404623,0.0576993361897687,2.0402297337982773,0.409755336936951,0.03945510167282082,0.18900313616396058,1582.125076812986
"['Hf', 'Zr', 'Rh', 'Ru']",-3192.3003339809666,0.0522501258411189,2.0531184266844105,0.5857330446460558,0.03949229350508471,0.19603030364185248,1640.9487456228658
"['Ti', 'Hf', 'Rh', 'Ru']",-3149.304221569323,0.0523096912283142,2.0160874685792725,0.5034125456315136,0.03960284730119081,0.14159397340191493,1185.2680362426543
"['Sn', 'Hf', 'Zr', 'Ru']",-3171.043753475167,0.0418001227997956,2.078402503673675,0.4759846705906279,0.03968135783258732,0.21044310762998286,1761.596789245961
"['Rh', 'Ru', 'Ir', 'Pt']",-2553.974477954304,0.1485725194183952,2.054146401809556,0.13985174314231918,0.03997782829551926,0.03799216555772578,318.0283622339709
"['Ti', 'Sn', 'Pb', 'Pt']",-2515.591857117281,0.0829772998943581,2.077532215245257,0.46893461717898116,0.040050253652693435,0.10114499674878008,846.6739705926983
"['Ge', 'Sn', 'Pb', 'Pt']",-2264.866625233181,0.0903738962785056,2.066241415412293,0.31585253970007704,0.040332386851872216,0.174085167932998,1457.2483572392405
"['Ge', 'Ti', 'Sn', 'Zr']",-2974.5075761937696,0.0803600460050453,2.032075779423053,0.35598586122123266,0.040373926447667116,0.13432970424536617,1124.4596145912553
"['Ge', 'Hf', 'Zr', 'Rh']",-3098.6887154873843,0.0691616032643364,2.0380194875790894,0.5928123118124726,0.04044035646490506,0.22113584663810126,1851.104566036949
"['Ge', 'Hf', 'Rh', 'Ru']",-2900.634018785991,0.0551747286804115,2.000619596315278,0.49811269003888003,0.040903560327777276,0.19847922973638266,1661.4484445382147
"['Ti', 'Sn', 'Zr', 'Pb']",-2874.737937400845,0.0856800393148841,2.1012293869445635,0.5631397933511825,0.041021515580832085,0.08525940963160661,713.6974166154429
"['Ge', 'Ti', 'Zr', 'Pt']",-2926.367498132787,0.0720908489491605,2.013723721910816,0.5299705319948143,0.04114729107312564,0.13836635974269207,1158.2500268478752
"['Ti', 'Sn', 'Zr', 'Rh']",-2976.139898525363,0.0645500479129483,2.051574594212489,0.511480079059465,0.0412546187531444,0.13154011786536923,1101.1082847916248
"['Ge', 'Ti', 'Hf', 'Zr']",-3348.235703043658,0.0858246327203032,2.0325474900537537,0.34468497539155063,0.04150025439224203,0.1474377774294533,1234.1858959332394
"['Sn', 'Zr', 'Pb', 'Rh']",-2627.2319114098564,0.0635929382428609,2.108615841415498,0.607728629327801,0.04181798166868274,0.14301246661146827,1197.142091476195
"['Ti', 'Rh', 'Ru', 'Ir']",-2851.307248223605,0.0356238551938811,1.992516221170095,0.3486558876515902,0.041929916468631034,0.11467960447108094,959.9707270216641
"['Ge', 'Ti', 'Hf', 'Pb']",-2949.033798428268,0.1043430906368977,2.048456129302928,0.5559677763423079,0.04196979892249181,0.1614878981874881,1351.7979569535064
"['Ge', 'Sn', 'Hf', 'Rh']",-2794.780867510155,0.0593711646306618,2.026766565054969,0.46984312898815495,0.04199411704740054,0.17753044821613528,1486.088430706975
"['Ti', 'Sn', 'Hf', 'Pt']",-2982.2778096390057,0.050231768126378,2.0465295683361084,0.5454648084951701,0.042127696306462306,0.07484935517727376,626.555962047721
"['Hf', 'Zr', 'Rh', 'Pt']",-3042.6830391291405,0.0392091648636337,2.0617874437355725,0.6765390531892103,0.04245827324167337,0.144931189454927,1213.2035155758276
"['Ti', 'Hf', 'Zr', 'Ru']",-3427.067722370221,0.0652692345650841,2.0494489335255857,0.4167629461218144,0.04260628628252724,0.23779785292554045,1990.580442006037
"['Hf', 'Rh', 'Ru', 'Mn']",-2975.847149078444,0.049848075362776,2.0065816491207618,0.5095308388270078,0.04263764257655659,0.10905861723962751,912.9180429454946
"['Sn', 'Pb', 'Rh', 'Pt']",-2273.365839347182,0.070186729385373,2.085460901525073,0.2108314418417184,0.042648901817256564,0.11764798950294253,984.818761249363
"['Ti', 'Sn', 'Zr', 'Pt']",-2911.987597231163,0.0603578161589425,2.057222246128501,0.5202468699412519,0.04274202206871374,0.10901803615877803,912.578343049719
"['Ti', 'Zr', 'Pb', 'Rh']",-2883.0464651161265,0.0893070576804271,2.079443347730485,0.654333136269232,0.04332774750456874,0.17200326806940147,1439.8209957231215
"['Ge', 'Ti', 'Rh', 'Ru']",-2791.9680936325667,0.0433044864687947,1.9704996141084008,0.3346414816346114,0.04379998342888257,0.142114708086841,1189.6270507019337
"['Sn', 'Rh', 'Ru', 'Pt']",-2470.937219974496,0.0361848335937987,2.0247427555640867,0.18893178125942747,0.04385781279870415,0.10887740252039535,911.401113875407
"['Sn', 'Hf', 'Zr', 'Rh']",-3089.5047127759544,0.0342259931951593,2.0784532329652405,0.5372385425840962,0.04387332296140863,0.1511945684432936,1265.6335924740324
"['Sn', 'Hf', 'Rh', 'Ru']",-2887.0313850892253,0.0425000471682062,2.043324652673974,0.44736310800908097,0.04407400620645589,0.16305850611451067,1364.9453482487916
"['Ti', 'Sn', 'Rh', 'Pt']",-2622.7201309578063,0.0415432963364111,2.022751643330612,0.45294408742711895,0.04409139665917924,0.10268888688873634,859.5977101445654
"['Ge', 'Hf', 'Zr', 'Pb']",-2997.109007291846,0.0916793036679274,2.087755326224337,0.6976331894867268,0.04409672733539175,0.17624378739668511,1475.3179303379286
"['Ti', 'Sn', 'Hf', 'Rh']",-3044.670895230149,0.0548582238238546,2.040866718114541,0.5567862880196309,0.044247631971105275,0.11111530956399562,930.134394841628
"['Sn', 'Zr', 'Pb', 'Pt']",-2565.9872520267427,0.0604330607353299,2.1166443405188997,0.628400353226427,0.0442745134223307,0.09777443247451334,818.4593368593125
"['Ge', 'Ti', 'Zr', 'Pb']",-2882.1092050160496,0.1208094959353482,2.068184067118613,0.5519803981579947,0.044292455517539374,0.1693626807656754,1417.7169212853576
"['Ti', 'Hf', 'Zr', 'Ir']",-3393.4676411846203,0.065604923376571,2.051338454374465,0.46314941698924433,0.04431304645317423,0.23021530232990717,1927.1077204044884
"['Rh', 'Ru', 'Ir', 'V']",-2746.957949361557,0.0368345059574732,1.9796128820096428,0.12553129190272355,0.0444621807149439,0.08300987933024295,694.866838599263
"['Sn', 'Hf', 'Rh', 'Pt']",-2737.169817123946,0.0317554050153513,2.0513305115018734,0.5545081567091014,0.04466491834634613,0.11386777562643946,953.1749944256019
"['Hf', 'Zr', 'Pb', 'Ce']",-3214.31964384395,0.0603890155085585,2.171648330795488,0.6287641221484208,0.044687183510520555,0.18899079752938963,1582.0217914201373
"['Ti', 'Hf', 'Zr', 'Pt']",-3289.154883852137,0.0593143686607984,2.056714161678081,0.5717057228688868,0.044905211669748785,0.09525767363125404,797.3918172454732
"['Ge', 'Zr', 'Rh', 'Pt']",-2679.3872620931907,0.0630848426366474,2.020283203973644,0.5390726650066727,0.04504218076120739,0.19201168272730218,1607.3092989334755
"['Ge', 'Ti', 'Rh', 'Pt']",-2640.204005726136,0.0410252124488915,1.979587669186469,0.43289865594903126,0.04509826606009905,0.10778741463901387,902.2769416761696
"['Ge', 'Ti', 'Hf', 'Ru']",-3138.5177827580583,0.0592053171287298,1.9964410643765584,0.43301541354091333,0.045118474231172094,0.21590009477934569,1807.2766461418987
"['Hf', 'Zr', 'Ru', 'Pt']",-3125.4727523594174,0.0431833641287802,2.0598221019395004,0.5493566850616258,0.04516192543528323,0.19440884949267456,1627.3757260297339
"['Sn', 'Hf', 'Pb', 'Ce']",-2904.482275598266,0.0626479692027977,2.164461465498746,0.6312336431411603,0.04522142585423737,0.19170977620472573,1604.7820716613987
"['Ge', 'Sn', 'Zr', 'Pb']",-2622.583938632855,0.0890129740657502,2.0884307588360533,0.5208432187575934,0.045326802061830186,0.1693618220962163,1417.7097334549783
"['Ti', 'Hf', 'Rh', 'Mn']",-3123.184362793841,0.0563739889228128,2.002325595426094,0.573766309951184,0.04534816666227997,0.13760211151353996,1151.8525865048614
"['Ti', 'Ru', 'Ir', 'Pt']",-2776.996301217692,0.0294139589704097,1.9991037379533505,0.3209430832766457,0.04549160454362109,0.17152194238724494,1435.7918698191293
"['Ge', 'Sn', 'Hf', 'Pb']",-2692.077307293801,0.0912022733841675,2.0789159395501104,0.5660707339964559,0.04571738300927895,0.14141848288734238,1183.7990238787156
"['Ge', 'Zr', 'Rh', 'Ru']",-2831.820746046383,0.0689157757839958,2.010441849636232,0.42078503841217796,0.04580258967931538,0.22110931955980195,1850.8825106962615
"['Ge', 'Ti', 'Pb', 'Pt']",-2526.246836398748,0.0993824934988491,2.034618748585124,0.4789279483394575,0.04580539968112268,0.15959427049017183,1335.9466016433346
"['Rh', 'Ru', 'Pt', 'V']",-2622.237598467992,0.0412689291981878,1.987673660459016,0.21149789006878925,0.04589432571283091,0.10748657532754091,899.7586479143157
"['Hf', 'Zr', 'Pb', 'Pt']",-2940.858123676862,0.0621243820162923,2.114617897197097,0.7399867716276428,0.04604615684589838,0.10195481190679434,853.4528468329643
"['Ge', 'Ti', 'Pt', 'V']",-2772.771039317001,0.0500161519041422,1.967337177366152,0.368298968439912,0.04641771165634919,0.10109661328453345,846.2689577784068
"['Ti', 'Hf', 'Rh', 'Pt']",-3000.876276454332,0.047618857060904,2.0252139099827944,0.6440263940162831,0.04643071945353794,0.08120306439596536,679.7421836612575
"['Ge', 'Ti', 'Sn', 'V']",-2817.854618127706,0.0697425482387193,1.98641851326177,0.25579493380242263,0.04649517222481977,0.12093885817999883,1012.3662716459759
"['Ge', 'Ti', 'Sn', 'Pb']",-2573.6862293359254,0.1018397507221407,2.049932925739887,0.4885061414986559,0.04656022493829887,0.16103171752257417,1347.9793173046307
"['Ti', 'Pb', 'Rh', 'Pt']",-2533.014655220896,0.0878554063750615,2.0556330835390253,0.5331812909638881,0.04659868229977496,0.11668361777771796,976.7461084838363
"['Ge', 'Ti', 'Ru', 'Pt']",-2723.464109909639,0.0397625129180789,1.976957177097544,0.3651262241330004,0.04662020383830714,0.15359014535468418,1285.6867110723256
"['Sn', 'Zr', 'Rh', 'Ru']",-2817.86721414424,0.0519305523490944,2.0529659430263725,0.4221654396595566,0.04665694598774149,0.18842998816744316,1577.3273161174773
"['Ge', 'Ti', 'Zr', 'Ru']",-3069.686649862606,0.0731415315722537,2.005555643401566,0.41314351575887626,0.04667659425675814,0.23866971707029982,1997.8787236906398
"['Ti', 'Zr', 'Rh', 'Pt']",-2928.750688714789,0.0549976805643343,2.0344864597154446,0.6039696401531959,0.04675130507799963,0.12971061515638116,1085.7937129134293
"['Ti', 'Rh', 'Ir', 'Pt']",-2699.736084632505,0.0330254310331662,2.002047020009724,0.4014486851067648,0.04678167738285973,0.07884508980973148,660.0038301128168
"['Sn', 'Rh', 'Pt', 'V']",-2514.6759844601115,0.0527851230443268,2.016960106828152,0.2404482050846042,0.046884730991263134,0.09988515890139116,836.1280024594341
"['Ti', 'Sn', 'Zr', 'Ru']",-3055.310005265086,0.0621860449329415,2.0496837300011364,0.3851627121129247,0.04690129815803787,0.20929595361056919,1751.9940854077204
"['Ti', 'Hf', 'Ru', 'Mn']",-3212.714399733564,0.0675883000611121,2.0064910686571915,0.5129883001062182,0.04702801271855686,0.13442099257124163,1125.2237794221633
"['Hf', 'Pb', 'Ce', 'Pt']",-2851.7736522382083,0.0884854772923524,2.154003841110921,0.7003302436868076,0.04704321520827792,0.23143819185107617,1937.3443980431857
"['Ti', 'Hf', 'Rh', 'V']",-3192.589421177995,0.0698396007727544,2.005936706214953,0.49544894476828577,0.04725700289078566,0.13614520538403063,1139.6569808189342
"['Ti', 'Zr', 'Pb', 'Pt']",-2822.0644659095,0.0886241220164233,2.085841569201063,0.6233365405349625,0.04750813751075078,0.12471320130363939,1043.9608950242255
"['Ge', 'Sn', 'Pb', 'Rh']",-2325.251709438534,0.094119038382408,2.0576880948160863,0.30425884726229824,0.04756609949508161,0.2260386331462083,1892.1452685256502
"['Ge', 'Sn', 'Zr', 'Pt']",-2663.398703548568,0.0649896802134831,2.043916552933956,0.44990494904152756,0.04768333196050025,0.16526806514373682,1383.441331012827
"['Sn', 'Hf', 'Zr', 'V']",-3226.859491001881,0.0621046207945557,2.0691607537075862,0.42188437541711676,0.047765180219166724,0.10709951212739366,896.5185831847378
"['Ti', 'Sn', 'Pt', 'V']",-2755.249054222576,0.0613019653193343,2.013108310997754,0.4075187934869368,0.04779565663974268,0.09629582245687462,806.0820502427365
"['Ge', 'Hf', 'Zr', 'Mn']",-3171.683760929173,0.0807719721233982,2.024716443196487,0.55806142897957,0.04780952666304973,0.13908109020158577,1164.2329592220597
"['Sn', 'Hf', 'Zr', 'Pt']",-3031.0395542901283,0.0303697005670335,2.0852625392363584,0.5906294801871728,0.04799768834753143,0.08424168354627959,705.178140197057
"['Ge', 'Sn', 'Hf', 'Pt']",-2734.741655130699,0.0580144443516853,2.0335369695533485,0.5079229871278808,0.04801260833795758,0.12287485936310372,1028.5723308823299
"['Ge', 'Sn', 'Rh', 'V']",-2574.003434550521,0.0644136524330974,1.988172246906298,0.1958593796638746,0.04814246360723128,0.15013845880202048,1256.7930114062524
"['Ge', 'Sn', 'Hf', 'Ru']",-2877.069989559679,0.0599694719189601,2.0273005257516488,0.3945083327571547,0.048154097573090485,0.23091897685351537,1932.9981047246151
"['Ge', 'Ti', 'Zr', 'Rh']",-2987.551836312925,0.0737269347251613,2.0090486220232524,0.46662777150657997,0.04820988113571202,0.18407565327789666,1540.8776435807374
"['Ge', 'Sn', 'Rh', 'Ru']",-2527.262113573516,0.0524610443604717,2.0001501177209384,0.1817895242989936,0.048238217138692724,0.18258817501000468,1528.4261217879737
"['Ti', 'Hf', 'Ru', 'Pt']",-3081.3634866268458,0.0446328421977215,2.0218929118239832,0.5489755501352208,0.048508285278359244,0.1486690295724884,1244.4925761868712
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"['Zr', 'Pb', 'Pt', 'Nb']",-2875.367832227317,0.1502693825290642,2.1458889516125565,0.618920843601848,0.10566678607892124,0.2055939132255613,1721.004700536274
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"['Ge', 'Hf', 'Ce', 'Nb']",-3284.2507040945225,0.1521123138703086,2.092030778054154,0.3271193322429805,0.10732106579953633,0.5781447898292402,4839.588318916109
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"['Ge', 'Sn', 'Ce', 'Nb']",-2909.216363580653,0.1645476189439313,2.109619278698939,0.3473442842155946,0.10814984053969944,0.57524151089501,4815.28528088163
"['Ti', 'Ce', 'V', 'Mn']",-3100.45733968927,0.1583817627126556,2.0478598700540047,0.4240047843644463,0.10849772087669102,0.2626834714671853,2198.8952982874857
"['Ge', 'Ce', 'Pt', 'Nb']",-2870.217914331162,0.1420937129129873,2.0698942806513525,0.47412013651860263,0.10965186922116436,0.5078591913025576,4251.235076611137
"['Ge', 'Zr', 'Ce', 'V']",-3072.56106509146,0.1639607495538576,2.084275197277884,0.39078332932129217,0.11120041131359899,0.37278460730544527,3120.5401531336543
"['Ge', 'Pb', 'Ce', 'V']",-2682.575442324477,0.0756398072514622,1.859674635679548,0.4321752595955331,0.11172312187023525,0.31483252612280044,2635.429467917165
"['Pb', 'Ce', 'Ir', 'Nb']",-2897.071191410502,0.1546969402425439,2.1547612572185377,0.5654558308663709,0.11631067234172986,0.41944841179541026,3511.1578791751213
"['Ge', 'Ce', 'Nb', 'V']",-3067.500844118865,0.0684313718685958,1.960544447875311,0.31308786845591996,0.12258496744147877,0.5192873864778074,4346.899278467505