material_id string | structure string | band_gap float64 | structure_mattersim string | relaxation_energy_mattersim float64 | formula string | spacegroup string | spacegroup_number int64 | num_sites int64 |
|---|---|---|---|---|---|---|---|---|
mp-3249266 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.262281980269664,-2.0828042661e-6,-2.870246037769855],[-4.131139186373446,7.155347053678128,-2.870246037769855],[0.0,0.0,8.610738113309568]],"pbc":[true,true,true],"a":8.746634543573128,"b":8.746634481507963,"c":8.610738113309... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.270265970524994,0.0,-2.890097318530487],[-4.1351330338466505,7.162259514344841,-2.8900955689276184],[0.0,0.0,8.67028727]],"pbc":[true,true,true],"a":8.76070555,"b":8.76070425,"c":8.67028727,"alpha":109.26228504999999,"beta":1... | -52.205315 | Sr7 Er1 Bi6 | R3 | 146 | 14 |
mp-3249267 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.102067621499866,0.026779987484488003,-3.752422051094827],[-1.290450894338824,4.935753265474312,-3.753074479266426],[0.009105989155313,0.010150190028020001,6.372517334729703]],"pbc":[true,true,true],"a":6.333441594554234,"b":6... | 1.0141 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.185951705198992,0.0,-3.7486360183284657],[-1.310455582310876,5.005858234440762,-3.764370754449135],[0.0,0.0,6.42374968]],"pbc":[true,true,true],"a":6.39893484,"b":6.39893723,"c":6.42374968,"alpha":126.03509041000001,"beta":12... | -84.716141 | Tm2 Cu2 Au2 O8 | C2/c | 15 | 14 |
mp-3249268 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.170684051477222,-0.013906122909967001,-0.046671992316605],[-8.201525342467432,4.103245267330437,0.046671992137272],[0.001167213291218,-0.00027626907318500005,6.767419489608683]],"pbc":[true,true,true],"a":9.170813356902423,"b... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[9.187005850117151,0.0,-0.17227974464907203],[-8.229057262424014,4.084566222511435,0.17227996033730814],[0.0,0.0,6.85033229]],"pbc":[true,true,true],"a":9.18862105,"b":9.18862041,"c":6.85033229,"alpha":88.92568279,"beta":91.0743... | -68.169868 | Li2 Er4 Si6 Ag2 | C2/m | 12 | 14 |
mp-3249269 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.689087013948136,-0.011631628729025002,0.9597547480932881],[6.165129349590357,6.123032913947385,0.95975475113032],[-0.034386103183800004,-0.014147334713558002,7.322253006768027]],"pbc":[true,true,true],"a":8.741939007293327,"b... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.712953578511051,0.0,0.9856368037838497],[6.263017043128168,6.057241086945074,0.9856354319785695],[0.0,0.0,7.50747494]],"pbc":[true,true,true],"a":8.76852553,"b":8.76852492,"c":7.50747494,"alpha":83.54596633,"beta":83.54595776... | -93.965363 | Nd8 Dy2 Os4 | C2/c | 15 | 14 |
mp-3249270 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.712419765282271,-0.010371599476665001,4.531742011610508],[5.457076706349997,3.9085809712525292,4.531742013787988],[0.035170604518385,0.011265569099220002,9.625328460697189]],"pbc":[true,true,true],"a":8.09897353590092,"b":8.0... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.748968104929226,0.0,4.58418950491592],[5.463549000346762,3.9620952535095753,4.584189585717974],[0.0,0.0,9.63791124]],"pbc":[true,true,true],"a":8.158637379999998,"b":8.15863718,"c":9.63791124,"alpha":55.81396444000001,"beta":... | -85.646248 | Nd1 Y2 As4 Pd7 | C2/m | 12 | 14 |
mp-3249271 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.200169338445068,0.0,0.0],[0.0,4.200169338445068,0.0],[0.0,0.0,8.415271611876381]],"pbc":[true,true,true],"a":4.200169338445068,"b":4.200169338445068,"c":8.415271611876381,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":148.457... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.210407449999999,0.0,-8.08340200131236e-8],[1.5431949014052858e-8,4.21040738,2.2045641723944483e-9],[0.0,0.0,8.43697616]],"pbc":[true,true,true],"a":4.21040745,"b":4.21040738,"c":8.43697616,"alpha":89.99999997,"beta":90.000001... | -92.978493 | Ba1 Pr1 B12 | P4/mmm | 123 | 14 |
mp-3249272 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.891395649703445,-1.8625516e-9,-2.370218534832128],[-0.34127933400096205,7.154015940654866,-0.8482816999866891],[-0.004166396453566,0.017788012312076003,8.496555336766232]],"pbc":[true,true,true],"a":6.350313268194447,"b":7.21... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.851938040689137,0.0,-2.2976885652470806],[-0.3309114366049588,7.254147628854679,-0.8427934852623747],[0.0,0.0,8.60094394]],"pbc":[true,true,true],"a":6.28685546,"b":7.310435080000001,"c":8.60094394,"alpha":96.62014240000002,"... | -87.920326 | Tb8 Er2 Ru4 | C2/c | 15 | 14 |
mp-3249273 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.070136701224406,0.0,2.927244482200662],[1.690045567074802,4.7801708690284475,2.927244482200662],[0.0,0.0,5.854488964401324]],"pbc":[true,true,true],"a":5.854489425020505,"b":5.85448954345907,"c":5.854488964401324,"alpha":60.0... | 0.1308 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.085839875372603,0.0,2.936310676694869],[1.6952800968011708,4.794976130473544,2.9363109074366025],[0.0,0.0,5.87262185]],"pbc":[true,true,true],"a":5.87262187,"b":5.872622279999999,"c":5.87262185,"alpha":60.00000262,"beta":60.0... | -89.186806 | K1 Er1 B12 | Fm-3m | 225 | 14 |
mp-3249274 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.153129768719849,-0.067776482690519,-3.244782385276121],[-4.904694408481317,5.184115118653489,-3.2038962697043942],[-0.037307482562325,-0.024079831088339002,7.92253290086717]],"pbc":[true,true,true],"a":7.854964790980936,"b":7... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.2532096783333895,0.0,-3.3150421878112666],[-5.024943510090726,5.248824945150471,-3.208853408504705],[0.0,0.0,8.00359758]],"pbc":[true,true,true],"a":7.97487024,"b":7.943359539999999,"c":8.00359758,"alpha":113.82639670999998,"... | -53.641102 | Yb6 Pd3 Au5 | P1 | 1 | 14 |
mp-3249275 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.393714537516317,0.087101052037549,0.0],[-1.168544195964849,6.286626409830132,0.0],[0.0,0.0,4.906693484096832]],"pbc":[true,true,true],"a":6.394307795259276,"b":6.3943074022678035,"c":4.906693484096832,"alpha":90.0,"beta":90.0... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.451863309999816,0.0,1.5404536045796201e-6],[-1.1428217568913157,6.349840649925771,-2.489723688971682e-6],[0.0,0.0,4.95045382]],"pbc":[true,true,true],"a":6.45186331,"b":6.45186158,"c":4.95045382,"alpha":90.00002211,"beta":89.... | -88.974472 | Yb6 Mn1 Co1 N6 | Amm2 | 38 | 14 |
mp-3249276 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.108695711198719,0.009809677086566,-3.847176052692903],[-1.265220516207025,4.949553931654418,-3.847177025630978],[-0.007602565860145001,-0.009807790214867001,6.3952703288378]],"pbc":[true,true,true],"a":6.395281985948585,"b":6... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.16454940466866,0.0,-3.899949125268274],[-1.2805747925619242,5.003269272374611,-3.8999496398946447],[0.0,0.0,6.4716417]],"pbc":[true,true,true],"a":6.47164382,"b":6.47164449,"c":6.4716417,"alpha":127.05785297,"beta":127.057851... | -92.017326 | Er1 Tm1 Pd4 O8 | I-4 | 82 | 14 |
mp-3249277 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.893447771248381,-0.0013812547837370002,-2.400407408927313],[-0.34918210118714604,7.263140663382432,-0.8486510166341461],[-0.003726140397379,-0.029282312033165003,8.428572690639855]],"pbc":[true,true,true],"a":6.36354337371329... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.861506326219606,0.0,-2.3626808308588836],[-0.36053884859126695,7.395763709513535,-0.8857871195871913],[0.0,0.0,8.4661315]],"pbc":[true,true,true],"a":6.31977192,"b":7.45734054,"c":8.4661315,"alpha":96.82173073000001,"beta":11... | -94.493858 | Tb3 Dy7 Os4 | P1 | 1 | 14 |
mp-3249278 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.324880056610789,0.062371847573062,-3.338090820219151],[-5.207600673213062,5.151568622782071,-3.338091128259971],[0.025327412504711003,0.062371972221093,8.049599790725185]],"pbc":[true,true,true],"a":8.04988250939947,"b":8.049... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.32902790501588,0.0,-3.2428034597756557],[-4.980859755744145,5.376399766143713,-3.242802912931221],[0.0,0.0,8.01438809]],"pbc":[true,true,true],"a":8.01438858,"b":8.01438763,"c":8.01438809,"alpha":113.8674838,"beta":113.867485... | -102.773705 | Th6 Co1 Ir1 Pd6 | R-3 | 148 | 14 |
mp-3249279 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.66557464358918,-0.021985948288977,2.358283780921957],[1.440965438805151,4.437531896997844,2.35828377924498],[-0.030406081031529003,-0.021985944568921,5.227635484660684]],"pbc":[true,true,true],"a":5.227769364478891,"b":5.2277... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.726403181394958,0.0,2.3906834516624125],[1.469868984383415,4.492034632573868,2.3906838119436036],[0.0,0.0,5.29662669]],"pbc":[true,true,true],"a":5.2966267,"b":5.29662714,"c":5.29662669,"alpha":63.169048319999995,"beta":63.16... | -30.37323 | Tb1 Mg1 Cd1 Pt3 | R3m | 160 | 6 |
mp-3249280 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.02165889383005,0.0,0.0],[0.0,4.02165889383005,0.0],[0.0,0.0,9.50035048270375]],"pbc":[true,true,true],"a":4.02165889383005,"b":4.02165889383005,"c":9.50035048270375,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":153.656201070... | 1.4566 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.067420769999978,0.0,4.259393071299427e-7],[1.583074573210002e-7,4.0674208099999944,-1.2423229888819353e-7],[0.0,0.0,9.5070506]],"pbc":[true,true,true],"a":4.06742077,"b":4.067420809999999,"c":9.5070506,"alpha":90.00000175,"be... | -48.835243 | Ac1 Bi2 Br1 O4 | P4/mmm | 123 | 8 |
mp-3249281 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.516881116709985,0.0075320660918780005,-2.42007356183898],[-1.5787010483430481,4.130215525534091,-2.589990896078813],[0.092905151662692,-0.007532063175016,5.123508543116133]],"pbc":[true,true,true],"a":5.124356330235327,"b":5.... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.5792225915580556,0.0,-2.400996844374133],[-1.5331137499043348,4.17580657197526,-2.6355780668541193],[0.0,0.0,5.17050015]],"pbc":[true,true,true],"a":5.17049953,"b":5.17049998,"c":5.17050015,"alpha":120.64609302,"beta":117.669... | -36.400013 | Ce1 Ni2 Pt2 Au1 | Imm2 | 44 | 6 |
mp-3249282 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.945253064079707,0.14568859538708,-3.261610034370395],[3.462259513970695,3.534050751593577,-3.2616090096027612],[-0.052754748286427004,-0.023089277450921,7.172361816840262]],"pbc":[true,true,true],"a":5.925778687305259,"b":5.9... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.720810655419319,0.0,-3.1385420480704096],[3.2506046167035794,3.4233933386962563,-3.138541869316993],[0.0,0.0,7.09501469]],"pbc":[true,true,true],"a":5.66890637,"b":5.668906190000001,"c":7.09501469,"alpha":123.6171973,"beta":1... | -45.587418 | Tm2 Mn2 Ga2 C1 | C2/m | 12 | 7 |
mp-3249283 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.47553200862083,-0.05975584891555401,0.0],[-3.801683712500788,3.941094033016869,0.0],[0.0,0.0,8.587392391521877]],"pbc":[true,true,true],"a":5.47585806416774,"b":5.4758580356849045,"c":8.587392391521877,"alpha":90.0,"beta":90.... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5092851199999995,0.0,9.423206077053242e-8],[-3.798804135162334,3.9901516270292383,-9.615515985884923e-9],[0.0,0.0,8.54701294]],"pbc":[true,true,true],"a":5.50928512,"b":5.50928515,"c":8.54701294,"alpha":90.0000001,"beta":89.9... | -30.393738 | Pr1 Nd1 Cd4 Pt2 | Amm2 | 38 | 8 |
mp-3249284 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.509252828156828,5.1163577e-9,2.525599031893043],[1.6492905647541751,4.400187259059395,2.343576580104044],[0.020826217311953003,-0.00045918667949,5.251068635360307]],"pbc":[true,true,true],"a":5.168366428392962,"b":5.251110212... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.547270151277527,0.0,2.579708525681773],[1.6347381105014682,4.422105370460922,2.416043860812515],[0.0,0.0,5.29760838]],"pbc":[true,true,true],"a":5.228055269999999,"b":5.29760819,"c":5.29760838,"alpha":62.86664016000001,"beta"... | -28.514027 | Nd1 Cu2 Hg1 Pt2 | Imm2 | 44 | 6 |
mp-3249285 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.315412090967865,-1.2693650000000002e-9,0.0],[-2.157705547584481,3.737257161180108,0.0],[1e-16,0.0,12.03368057207234]],"pbc":[true,true,true],"a":4.315412090967865,"b":4.315412415849596,"c":12.03368057207234,"alpha":90.0,"beta... | 0.3762 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2927881199996865,0.0,1.6400707474257665e-6],[-2.146393975686813,3.7176635328331074,-1.011464355021059e-6],[0.0,0.0,12.28400691]],"pbc":[true,true,true],"a":4.29278812,"b":4.29278805,"c":12.28400691,"alpha":90.00001350000001,"... | -30.34108 | La2 Ni1 Ge1 I2 | P3m1 | 156 | 6 |
mp-3249286 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.331203431879987,1.52966347e-8,0.0],[-2.165603189551727,3.7509319212967482,0.0],[0.0,0.0,7.206766255505403]],"pbc":[true,true,true],"a":4.331203431879987,"b":4.331203926485052,"c":7.206766255505403,"alpha":90.0,"beta":90.0,"ga... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.359493549999999,0.0,9.282677012534523e-8],[-2.179746896784546,3.7754322648271446,1.0119640078657658e-7],[0.0,0.0,7.27196554]],"pbc":[true,true,true],"a":4.35949355,"b":4.3594937,"c":7.27196554,"alpha":89.99999867,"beta":89.99... | -27.802217 | Y1 Ho1 Ga3 Cu1 | P3m1 | 156 | 6 |
mp-3249287 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.648552388877671,0.048170684868495,2.616226780576273],[1.5519558163485832,4.382099360010032,2.616226779421173],[0.067418249484836,0.048170689695866006,5.333774356288185]],"pbc":[true,true,true],"a":5.334416771721674,"b":5.3344... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.657290120194023,0.0,2.699646977885814],[1.555528321598705,4.389838606073811,2.6996469026899317],[0.0,0.0,5.3831629]],"pbc":[true,true,true],"a":5.38316311,"b":5.38316308,"c":5.3831629,"alpha":59.9008265,"beta":59.90082576,"ga... | -42.440659 | Tb2 Pt1 Rh3 | R-3m | 166 | 6 |
mp-3249288 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.750986977032738,-2.1091537e-9,2.742983047257922],[1.58366265502758,4.47927282257752,2.742983047257922],[0.0,0.0,5.485966094515845]],"pbc":[true,true,true],"a":5.485966938788369,"b":5.485966498398887,"c":5.485966094515845,"alp... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.778719780532714,0.0,2.7589951249829463],[1.592906984539862,4.505419976966542,2.7589951100085273],[0.0,0.0,5.51799015]],"pbc":[true,true,true],"a":5.517990290000001,"b":5.5179902,"c":5.51799015,"alpha":59.99999987999999,"beta"... | -12.138467 | Ca1 La1 In1 Hg1 | F-43m | 216 | 4 |
mp-3249289 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.676302853591926,-2.6915028999999993e-9,0.0],[-1.838150431413376,3.183771610901214,0.0],[0.0,0.0,14.480679225214715]],"pbc":[true,true,true],"a":3.676302853591926,"b":3.6763023105949397,"c":14.480679225214715,"alpha":90.0,"bet... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7055227299999505,0.0,6.08578313877583e-7],[-1.8527611998623064,3.209077364156105,-4.792312198814332e-7],[0.0,0.0,14.49594327]],"pbc":[true,true,true],"a":3.70552273,"b":3.70552312,"c":14.49594327,"alpha":90.00000741000001,"be... | -50.302803 | Dy3 Th1 C2 Br2 | P3m1 | 156 | 8 |
mp-3249290 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.744861149053247,0.002963278827346,5.99941517609427],[1.720985444909642,3.325988614104201,5.9994151747902995],[0.004866143281506001,0.0029632813421660003,7.072266862719163]],"pbc":[true,true,true],"a":7.072268112979036,"b":7.0... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.748084412439706,0.0,5.947877455806016],[1.717738534436186,3.331292422509537,5.947877933471293],[0.0,0.0,7.03031968]],"pbc":[true,true,true],"a":7.03031884,"b":7.03031911,"c":7.03031968,"alpha":32.21727890000002,"beta":32.2172... | -30.254812 | Pr1 Th1 C1 S1 | R3m | 160 | 4 |
mp-3249291 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.095997147052244,0.16360813029277302,-5.050309865328951],[-0.38945317003711805,4.080721741375816,-5.050309870294624],[-0.142877576897493,-0.16360814439593901,6.500954867909185]],"pbc":[true,true,true],"a":6.504582229843585,"b"... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.053593366125474,0.0,-5.036955625951702],[-0.5034312213078578,4.022209643271213,-5.036955864868934],[0.0,0.0,6.46548847]],"pbc":[true,true,true],"a":6.465488470000001,"b":6.46548821,"c":6.46548847,"alpha":141.17392058000001,"b... | -25.562937 | Eu1 Al2 Ga1 Ag1 | I4mm | 107 | 5 |
mp-3249292 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.375329113692643,0.0,0.0],[-2.187664556846321,3.789146896679152,0.0],[0.0,0.0,7.27869113827964]],"pbc":[true,true,true],"a":4.375329113692643,"b":4.375329749618292,"c":7.27869113827964,"alpha":90.0,"beta":90.0,"gamma":119.9999... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.402959549999469,0.0,2.1632188692848932e-6],[-2.201475610584584,3.813077665244115,-1.8235590822817672e-6],[0.0,0.0,7.29160393]],"pbc":[true,true,true],"a":4.40295955,"b":4.40295993,"c":7.29160393,"alpha":90.00002373,"beta":89.... | -35.487083 | Ac1 Ti1 Ga2 Pt2 | P-3m1 | 164 | 6 |
mp-3249293 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.998603439050229,0.0,0.0],[0.0,3.998603439050229,0.0],[0.0,0.0,8.958322452816041]],"pbc":[true,true,true],"a":3.998603439050229,"b":3.998603439050229,"c":8.958322452816041,"alpha":90.0,"beta":90.0,"gamma":90.0,"volume":143.233... | 0.3701 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.00781106999765,0.0,-4.340366410968071e-6],[-9.737018753932747e-7,4.0078107099972895,-4.558608438214628e-6],[0.0,0.0,9.082074]],"pbc":[true,true,true],"a":4.00781107,"b":4.00781071,"c":9.082074,"alpha":90.00006517,"beta":90.00... | -48.13588 | Ce2 Zn2 As2 N2 | P4/nmm | 129 | 8 |
mp-3249294 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.183461061810666,0.24704611540097202,-2.2879121e-9],[-2.417042925834881,3.665260751976734,-2.76641911739816],[-2.6859823e-9,5.9580035000000014e-9,5.53283725085454]],"pbc":[true,true,true],"a":5.1893448875982475,"b":5.189345586... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.240053309999996,0.0,-1.9937447927806137e-7],[-2.3182590892569825,3.798507503960453,-2.766799669715668],[0.0,0.0,5.53359944]],"pbc":[true,true,true],"a":5.2400533099999995,"b":5.2400539,"c":5.53359944,"alpha":121.87108157,"bet... | -35.869492 | Yb2 Mn1 Pt3 | R-3m | 166 | 6 |
mp-3249295 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.616795644345023,0.00977401460551,2.6824964770103152],[1.547652730958567,4.379751441960718,2.682031801346664],[-0.000587658711435,-0.0000889953492115,5.363499201023977]],"pbc":[true,true,true],"a":5.339539765015093,"b":5.36383... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.62521487883688,0.0,2.667358240573151],[1.5381866083568594,4.356390247046842,2.6673526771884135],[0.0,0.0,5.33463685]],"pbc":[true,true,true],"a":5.33923334,"b":5.33469065,"c":5.33463685,"alpha":59.99990882,"beta":60.02798069,... | -61.872547 | Np2 Ir3 Rh1 | R-3m | 166 | 6 |
mp-3249296 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.798576534377406,-0.0019025921152580002,10.198288836101547],[1.836061822565689,3.325367189100981,10.198288836215754],[-0.0032263287404090003,-0.001902590901637,10.882750303424938]],"pbc":[true,true,true],"a":10.882751604807162... | 2.1039 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8087630673991404,0.0,10.362613880406453],[1.8440722175545563,3.3325767022922492,10.362615227679953],[0.0,0.0,11.04040101]],"pbc":[true,true,true],"a":11.04040047,"b":11.040401450000001,"c":11.04040101,"alpha":20.1808212199999... | -34.784199 | Sm2 H4 Br2 | R-3m | 166 | 8 |
mp-3249297 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.4088835948819725,-7.578771400000001e-9,0.0],[-2.204441310619596,3.8182052895427643,0.0],[0.0,0.0,7.343839005816131]],"pbc":[true,true,true],"a":4.4088835948819725,"b":4.408883432917975,"c":7.343839005816131,"alpha":90.0,"beta... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.46581785,0.0,4.2089342406679805e-8],[-2.2329091653028885,3.867511568035055,-7.01489029513895e-8],[0.0,0.0,7.33761729]],"pbc":[true,true,true],"a":4.46581785,"b":4.46581785,"c":7.33761729,"alpha":90.0000009,"beta":89.99999946,... | -21.27494 | Nd1 Ho1 Zn2 Ga2 | P3m1 | 156 | 6 |
mp-3249298 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.25809833013957,-2.3027146e-9,0.0],[-2.129048669062115,3.6876202560137052,0.0],[0.0,0.0,12.933908511728493]],"pbc":[true,true,true],"a":4.25809833013957,"b":4.258097155749003,"c":12.933908511728493,"alpha":90.0,"beta":90.0,"ga... | 0.5758 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.291597489999854,0.0,-1.1190434450729123e-6],[-2.1457991767801996,3.716633400757662,3.363123351918372e-7],[0.0,0.0,12.71201709]],"pbc":[true,true,true],"a":4.29159749,"b":4.29159853,"c":12.71201709,"alpha":89.99999551,"beta":9... | -36.763157 | Th2 Si1 Pt1 I2 | P3m1 | 156 | 6 |
mp-3249299 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.385106588950116,-5.400583000000001e-10,0.0],[-2.192552795365702,3.797612960019859,0.0],[1e-16,0.0,11.306745158566665]],"pbc":[true,true,true],"a":4.385106588950116,"b":4.385105694801068,"c":11.306745158566665,"alpha":90.0,"be... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3776490299999935,0.0,-2.2462890402004754e-7],[-2.188825199546776,3.7911548851559576,2.391457381305947e-7],[0.0,0.0,11.45413593]],"pbc":[true,true,true],"a":4.377649029999999,"b":4.3776490400000005,"c":11.45413593,"alpha":89.9... | -23.078827 | Tb1 Sm1 Sb1 I2 | P3m1 | 156 | 5 |
mp-3249300 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.876958730996799,0.13241901420669,-6.028134128827545],[-0.224052541334425,3.872743913667545,-6.028134127957119],[-0.12077213104275601,-0.13241902146023501,7.166214486515549]],"pbc":[true,true,true],"a":7.168454845523629,"b":7.... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7775467505462994,0.0,-6.21175023552395],[-0.2965682142127892,3.765887181758886,-6.211749864614867],[0.0,0.0,7.27019218]],"pbc":[true,true,true],"a":7.2701926,"b":7.27019225,"c":7.27019218,"alpha":148.69499286000004,"beta":148... | -43.922775 | Y1 Pa1 Sb1 N2 | I4mm | 107 | 5 |
mp-3249301 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.38846701447375,0.08073759850706401,2.382900794232072],[1.4881780051316111,4.348168098494502,2.317155123447965],[0.032869804867764,-0.054526059197804004,5.146494090635158]],"pbc":[true,true,true],"a":4.9943345394645595,"b":5.1... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.447659728635866,0.0,2.4637119850677673],[1.590284653408819,4.375903245616719,2.339958865422369],[0.0,0.0,5.21084863]],"pbc":[true,true,true],"a":5.08444233,"b":5.210848490000001,"c":5.21084863,"alpha":63.316914160000024,"beta... | -29.952757 | Yb2 Cu1 Ni1 Pt2 | C2/m | 12 | 6 |
mp-3249302 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6488562590475775,-0.0000674555812281,2.429041845232745],[1.4714200033083191,4.409851502970577,2.429040859491526],[-0.00009364217113300003,-0.0000674593439955,5.245198183144342]],"pbc":[true,true,true],"a":5.245198643304922,"b... | 0 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.682384029509165,0.0,2.512013433673805],[1.5030294798530424,4.434593801771914,2.5120134278396162],[0.0,0.0,5.31365531]],"pbc":[true,true,true],"a":5.313655209999999,"b":5.31365517,"c":5.31365531,"alpha":61.78725511,"beta":61.7... | -34.084961 | La1 Cd1 Ni1 Pt3 | R3m | 160 | 6 |
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