{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=89","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=87","results":[{"id":"mp-23690","created_at":"2022-09-04T14:41:52.571041Z","structure_string":"Ca2 H8 S2 O12\n1.0\n7.542761 3.205336 0.000000\n-7.542761 3.205336 0.000000\n0.000000 2.365767 5.256329\nCa H S O\n2 8 2 12\ndirect\n0.329921 0.670079 0.250000 Ca\n0.670079 0.329921 0.750000 Ca\n0.247457 0.260807 0.590011 H\n0.739193 0.752543 0.909989 H\n0.752543 0.739193 0.409989 H\n0.260807 0.247457 0.090011 H\n0.840044 0.659949 0.242351 H\n0.340051 0.159956 0.257649 H\n0.159956 0.340051 0.757649 H\n0.659949 0.840044 0.742351 H\n0.828551 0.171449 0.250000 S\n0.171449 0.828551 0.750000 S\n0.082037 0.312928 0.084205 O\n0.313509 0.858297 0.904751 O\n0.686491 0.141703 0.095249 O\n0.858297 0.313509 0.404751 O\n0.362742 0.222783 0.080902 O\n0.777217 0.637258 0.419098 O\n0.637258 0.777217 0.919098 O\n0.222783 0.362742 0.580902 O\n0.917963 0.687072 0.915795 O\n0.312928 0.082037 0.584205 O\n0.141703 0.686491 0.595249 O\n0.687072 0.917963 0.415795 O\n","nsites":24,"nelements":4,"elements":["Ca","H","S","O"],"chemical_system":"Ca-H-O-S","density":2.249691950767066,"density_atomic":0.09442669677435046,"volume":254.1654089346396,"volume_molar":6.377582787197339,"formula_full":"Ca2 H8 S2 O12","formula_reduced":"CaH4SO6","formula_anonymous":"ABC4D6","energy":-145.80717599,"energy_per_atom":-6.075298999583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.56317599,"band_gap":5.6879,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.71e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.413000Z","spacegroup":15},{"id":"mp-1191333","created_at":"2022-09-04T14:41:52.620369Z","structure_string":"Zn4 Mo2 Se2 O14\n1.0\n8.490058 0.000000 0.000000\n0.000000 5.250002 0.000000\n0.000000 1.071830 7.189348\nZn Mo Se O\n4 2 2 14\ndirect\n0.456643 0.937242 0.508505 Zn\n0.956643 0.062758 0.491495 Zn\n0.636378 0.534449 0.226415 Zn\n0.136378 0.465551 0.773585 Zn\n0.468663 0.074238 0.985041 Mo\n0.968663 0.925762 0.014959 Mo\n0.759001 0.542443 0.617834 Se\n0.259001 0.457557 0.382166 Se\n0.938779 0.704550 0.623727 O\n0.438779 0.295450 0.376273 O\n0.661650 0.764153 0.454305 O\n0.161650 0.235847 0.545695 O\n0.450555 0.801294 0.170354 O\n0.950555 0.198706 0.829646 O\n0.792189 0.337337 0.451957 O\n0.292189 0.662663 0.548043 O\n0.622126 0.282582 0.045706 O\n0.122126 0.717418 0.954294 O\n0.288220 0.250501 0.953823 O\n0.788220 0.749499 0.046177 O\n0.518535 0.973199 0.767428 O\n0.018535 0.026801 0.232572 O\n","nsites":22,"nelements":4,"elements":["Zn","Mo","Se","O"],"chemical_system":"Mo-O-Se-Zn","density":4.3291066425469875,"density_atomic":0.068653557849959,"volume":320.449524962429,"volume_molar":8.771782480904005,"formula_full":"Zn4 Mo2 Se2 O14","formula_reduced":"Zn2MoSeO7","formula_anonymous":"ABC2D7","energy":-141.07094619,"energy_per_atom":-6.4123157359090905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.04894619,"band_gap":3.7131,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041126,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.311000Z","spacegroup":4},{"id":"mp-7392","created_at":"2022-09-04T14:41:52.230788Z","structure_string":"Na4 Ag2 Sb2\n1.0\n3.958220 -4.671440 0.000000\n3.958220 4.671440 0.000000\n0.000000 0.000000 5.833573\nNa Ag Sb\n4 2 2\ndirect\n0.328763 0.971411 0.750000 Na\n0.671237 0.028589 0.250000 Na\n0.971411 0.328763 0.750000 Na\n0.028589 0.671237 0.250000 Na\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.792199 0.792199 0.750000 Sb\n0.207801 0.207801 0.250000 Sb\n","nsites":8,"nelements":3,"elements":["Na","Ag","Sb"],"chemical_system":"Ag-Na-Sb","density":4.2428254394616225,"density_atomic":0.03708298200750868,"volume":215.73238091748215,"volume_molar":16.239634554687694,"formula_full":"Na4 Ag2 Sb2","formula_reduced":"Na2AgSb","formula_anonymous":"ABC2","energy":-22.49500913,"energy_per_atom":-2.81187614125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.11100913,"band_gap":0.6549999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013379,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.898000Z","spacegroup":63},{"id":"mp-29723","created_at":"2022-09-04T14:41:50.042917Z","structure_string":"La1 B2 Ru3\n1.0\n2.806216 -4.860510 0.000000\n2.806216 4.860510 0.000000\n0.000000 0.000000 3.033474\nLa B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["La","B","Ru"],"chemical_system":"B-La-Ru","density":9.305679177158394,"density_atomic":0.07250668343657686,"volume":82.75099226195235,"volume_molar":8.30563539051913,"formula_full":"La1 B2 Ru3","formula_reduced":"LaB2Ru3","formula_anonymous":"AB2C3","energy":-48.60705249,"energy_per_atom":-8.101175415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.60705249,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005691,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.657000Z","spacegroup":191},{"id":"mp-3218","created_at":"2022-09-04T14:41:53.223823Z","structure_string":"Er1 Si2 Pd2\n1.0\n-2.066430 2.066430 4.988632\n2.066430 -2.066430 4.988632\n2.066430 2.066430 -4.988632\nEr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.615549 0.615549 0.000000 Si\n0.384451 0.384451 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Er","Si","Pd"],"chemical_system":"Er-Pd-Si","density":8.502009607054186,"density_atomic":0.05867960049309639,"volume":85.20848741272951,"volume_molar":10.262750102922906,"formula_full":"Er1 Si2 Pd2","formula_reduced":"Er(SiPd)2","formula_anonymous":"AB2C2","energy":-30.43465161,"energy_per_atom":-6.086930322,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.43465161,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022555,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.011000Z","spacegroup":139},{"id":"mp-7939","created_at":"2022-09-04T14:41:52.612075Z","structure_string":"Na2 Nb2 Se4\n1.0\n1.791525 -3.103013 0.000000\n1.791525 3.103013 0.000000\n0.000000 0.000000 15.033271\nNa Nb Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.140278 Se\n0.333333 0.666667 0.359722 Se\n0.666667 0.333333 0.640278 Se\n0.666667 0.333333 0.859722 Se\n","nsites":8,"nelements":3,"elements":["Na","Nb","Se"],"chemical_system":"Na-Nb-Se","density":5.440617594471771,"density_atomic":0.047863013299569976,"volume":167.14367626477616,"volume_molar":12.582034320129413,"formula_full":"Na2 Nb2 Se4","formula_reduced":"NaNbSe2","formula_anonymous":"ABC2","energy":-46.73947367,"energy_per_atom":-5.84243420875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.85147367,"band_gap":0.5013999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.38e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.934000Z","spacegroup":194},{"id":"mp-8754","created_at":"2022-09-04T14:41:52.905552Z","structure_string":"Na4 Li4 Te4\n1.0\n4.607440 0.000000 0.000000\n0.000000 7.735087 0.000000\n0.000000 0.000000 8.369287\nNa Li Te\n4 4 4\ndirect\n0.750000 0.484647 0.315260 Na\n0.250000 0.015353 0.815260 Na\n0.750000 0.984647 0.184740 Na\n0.250000 0.515353 0.684740 Na\n0.250000 0.642292 0.071083 Li\n0.250000 0.142292 0.428917 Li\n0.750000 0.357708 0.928917 Li\n0.750000 0.857708 0.571083 Li\n0.250000 0.775099 0.391746 Te\n0.250000 0.275099 0.108254 Te\n0.750000 0.724901 0.891746 Te\n0.750000 0.224901 0.608254 Te\n","nsites":12,"nelements":3,"elements":["Na","Li","Te"],"chemical_system":"Li-Na-Te","density":3.508012486449573,"density_atomic":0.040231654587405685,"volume":298.27259462892033,"volume_molar":14.96866291421482,"formula_full":"Na4 Li4 Te4","formula_reduced":"NaLiTe","formula_anonymous":"ABC","energy":-39.12680654,"energy_per_atom":-3.2605672116666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.43880654,"band_gap":2.2840000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.89e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.046000Z","spacegroup":62},{"id":"mp-17088","created_at":"2022-09-04T14:41:52.289498Z","structure_string":"K4 Ba4 P4 S16\n1.0\n6.786218 0.000000 0.000000\n0.000000 9.893025 0.000000\n0.000000 0.000000 12.269114\nK Ba P S\n4 4 4 16\ndirect\n0.250000 0.168381 0.622294 K\n0.750000 0.831619 0.377706 K\n0.750000 0.668381 0.877706 K\n0.250000 0.331619 0.122294 K\n0.250000 0.619893 0.641644 Ba\n0.750000 0.380107 0.358356 Ba\n0.750000 0.119893 0.858356 Ba\n0.250000 0.880107 0.141644 Ba\n0.750000 0.102422 0.173777 P\n0.250000 0.602422 0.326223 P\n0.750000 0.397578 0.673777 P\n0.250000 0.897578 0.826223 P\n0.494123 0.603995 0.227632 S\n0.994123 0.396005 0.772368 S\n0.505877 0.103995 0.272368 S\n0.005877 0.896005 0.727632 S\n0.250000 0.069734 0.921039 S\n0.250000 0.430266 0.421039 S\n0.750000 0.930266 0.078961 S\n0.750000 0.569734 0.578961 S\n0.250000 0.777996 0.415898 S\n0.750000 0.222004 0.584102 S\n0.750000 0.277996 0.084102 S\n0.250000 0.722004 0.915898 S\n0.994123 0.103995 0.272368 S\n0.494123 0.896005 0.727632 S\n0.005877 0.603995 0.227632 S\n0.505877 0.396005 0.772368 S\n","nsites":28,"nelements":4,"elements":["K","Ba","P","S"],"chemical_system":"Ba-K-P-S","density":2.706682719685902,"density_atomic":0.03399287648420094,"volume":823.7019898275956,"volume_molar":17.715890453692392,"formula_full":"K4 Ba4 P4 S16","formula_reduced":"KBaPS4","formula_anonymous":"ABCD4","energy":-141.20518535,"energy_per_atom":-5.043042333928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.15718535,"band_gap":2.3253,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002397,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.181000Z","spacegroup":62},{"id":"mp-1204729","created_at":"2022-09-04T14:41:52.662253Z","structure_string":"Yb12 Al86 W8\n1.0\n5.542984 -9.600729 0.000000\n5.542984 9.600729 0.000000\n0.000000 0.000000 17.649300\nYb Al W\n12 86 8\ndirect\n0.467055 0.467055 0.905620 Yb\n0.532945 0.000000 0.905620 Yb\n0.000000 0.532945 0.905620 Yb\n0.532945 0.532945 0.094380 Yb\n0.467055 0.000000 0.094380 Yb\n0.000000 0.467055 0.094380 Yb\n0.532945 0.532945 0.405620 Yb\n0.467055 0.000000 0.405620 Yb\n0.000000 0.467055 0.405620 Yb\n0.467055 0.467055 0.594380 Yb\n0.532945 0.000000 0.594380 Yb\n0.000000 0.532945 0.594380 Yb\n0.843371 0.236270 0.835611 Al\n0.763730 0.607101 0.835611 Al\n0.392899 0.156629 0.835611 Al\n0.236270 0.843371 0.835611 Al\n0.607101 0.763730 0.835611 Al\n0.156629 0.392899 0.835611 Al\n0.156629 0.763730 0.164389 Al\n0.236270 0.392899 0.164389 Al\n0.607101 0.843371 0.164389 Al\n0.763730 0.156629 0.164389 Al\n0.392899 0.236270 0.164389 Al\n0.843371 0.607101 0.164389 Al\n0.156629 0.763730 0.335611 Al\n0.236270 0.392899 0.335611 Al\n0.607101 0.843371 0.335611 Al\n0.763730 0.156629 0.335611 Al\n0.392899 0.236270 0.335611 Al\n0.843371 0.607101 0.335611 Al\n0.843371 0.236270 0.664389 Al\n0.763730 0.607101 0.664389 Al\n0.392899 0.156629 0.664389 Al\n0.236270 0.843371 0.664389 Al\n0.607101 0.763730 0.664389 Al\n0.156629 0.392899 0.664389 Al\n0.840437 0.840437 0.385157 Al\n0.159563 0.000000 0.385157 Al\n0.000000 0.159563 0.385157 Al\n0.159563 0.159563 0.614843 Al\n0.840437 0.000000 0.614843 Al\n0.000000 0.840437 0.614843 Al\n0.159563 0.159563 0.885157 Al\n0.840437 0.000000 0.885157 Al\n0.000000 0.840437 0.885157 Al\n0.840437 0.840437 0.114843 Al\n0.159563 0.000000 0.114843 Al\n0.000000 0.159563 0.114843 Al\n0.747199 0.747199 0.968644 Al\n0.252801 0.000000 0.968644 Al\n0.000000 0.252801 0.968644 Al\n0.252801 0.252801 0.031356 Al\n0.747199 0.000000 0.031356 Al\n0.000000 0.747199 0.031356 Al\n0.252801 0.252801 0.468644 Al\n0.747199 0.000000 0.468644 Al\n0.000000 0.747199 0.468644 Al\n0.747199 0.747199 0.531356 Al\n0.252801 0.000000 0.531356 Al\n0.000000 0.252801 0.531356 Al\n0.851602 0.449560 0.750000 Al\n0.550440 0.402042 0.750000 Al\n0.597958 0.148398 0.750000 Al\n0.449560 0.851602 0.750000 Al\n0.402042 0.550440 0.750000 Al\n0.148398 0.597958 0.750000 Al\n0.148398 0.550440 0.250000 Al\n0.449560 0.597958 0.250000 Al\n0.402042 0.851602 0.250000 Al\n0.550440 0.148398 0.250000 Al\n0.597958 0.449560 0.250000 Al\n0.851602 0.402042 0.250000 Al\n0.752776 0.247224 0.000000 Al\n0.752776 0.505552 0.000000 Al\n0.494448 0.247224 0.000000 Al\n0.247224 0.752776 0.000000 Al\n0.505552 0.752776 0.000000 Al\n0.247224 0.494448 0.000000 Al\n0.247224 0.752776 0.500000 Al\n0.247224 0.494448 0.500000 Al\n0.505552 0.752776 0.500000 Al\n0.752776 0.247224 0.500000 Al\n0.494448 0.247224 0.500000 Al\n0.752776 0.505552 0.500000 Al\n0.666667 0.333333 0.873368 Al\n0.333333 0.666667 0.873368 Al\n0.333333 0.666667 0.126632 Al\n0.666667 0.333333 0.126632 Al\n0.333333 0.666667 0.373368 Al\n0.666667 0.333333 0.373368 Al\n0.666667 0.333333 0.626632 Al\n0.333333 0.666667 0.626632 Al\n0.852131 0.852131 0.750000 Al\n0.147869 0.000000 0.750000 Al\n0.000000 0.147869 0.750000 Al\n0.147869 0.147869 0.250000 Al\n0.852131 0.000000 0.250000 Al\n0.000000 0.852131 0.250000 Al\n0.270383 0.270383 0.750000 W\n0.729617 0.000000 0.750000 W\n0.000000 0.729617 0.750000 W\n0.729617 0.729617 0.250000 W\n0.270383 0.000000 0.250000 W\n0.000000 0.270383 0.250000 W\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n","nsites":106,"nelements":3,"elements":["Yb","Al","W"],"chemical_system":"Al-W-Yb","density":5.18686795783495,"density_atomic":0.05642876538246157,"volume":1878.474556045231,"volume_molar":10.672111500549898,"formula_full":"Yb12 Al86 W8","formula_reduced":"Yb6Al43W4","formula_anonymous":"A4B6C43","energy":-468.0387700600001,"energy_per_atom":-4.4154600949056615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-468.0387700600001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4161116,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.878000Z","spacegroup":193},{"id":"mp-23207","created_at":"2022-09-04T14:41:52.371843Z","structure_string":"Cl8 O16\n1.0\n5.674172 0.000000 0.000000\n0.000000 7.076304 0.000000\n0.000000 0.000000 10.938480\nCl O\n8 16\ndirect\n0.827415 0.007417 0.608275 Cl\n0.327415 0.992583 0.891725 Cl\n0.672585 0.507417 0.391725 Cl\n0.172585 0.492583 0.108275 Cl\n0.172585 0.992583 0.391725 Cl\n0.672585 0.007417 0.108275 Cl\n0.327415 0.492583 0.608275 Cl\n0.827415 0.507417 0.891725 Cl\n0.792076 0.094220 0.484300 O\n0.292076 0.905780 0.015700 O\n0.707924 0.594220 0.515700 O\n0.207924 0.405780 0.984300 O\n0.207924 0.905780 0.515700 O\n0.707924 0.094220 0.984300 O\n0.292076 0.405780 0.484300 O\n0.792076 0.594220 0.015700 O\n0.903435 0.639000 0.793787 O\n0.403435 0.361000 0.706213 O\n0.596565 0.139000 0.206213 O\n0.096565 0.861000 0.293787 O\n0.096565 0.361000 0.206213 O\n0.596565 0.639000 0.293787 O\n0.403435 0.861000 0.793787 O\n0.903435 0.139000 0.706213 O\n","nsites":24,"nelements":2,"elements":["Cl","O"],"chemical_system":"Cl-O","density":2.0401714820889305,"density_atomic":0.05464435275525579,"volume":439.20366496959997,"volume_molar":11.02060955314505,"formula_full":"Cl8 O16","formula_reduced":"ClO2","formula_anonymous":"AB2","energy":-102.42459571,"energy_per_atom":-4.267691487916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.43259571,"band_gap":0.9646,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030433,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.360000Z","spacegroup":61},{"id":"mp-27454","created_at":"2022-09-04T14:41:50.051664Z","structure_string":"Ba2 Li4 Si2\n1.0\n4.665251 0.000000 0.000000\n0.000000 6.374000 0.000000\n0.000000 0.000000 6.694097\nBa Li Si\n2 4 2\ndirect\n0.000000 0.906332 0.000000 Ba\n0.500000 0.093668 0.500000 Ba\n0.000000 0.411563 0.798662 Li\n0.500000 0.588437 0.701338 Li\n0.500000 0.588437 0.298662 Li\n0.000000 0.411563 0.201338 Li\n0.500000 0.306552 0.000000 Si\n0.000000 0.693448 0.500000 Si\n","nsites":8,"nelements":3,"elements":["Ba","Li","Si"],"chemical_system":"Ba-Li-Si","density":2.991348315421981,"density_atomic":0.040189343507771653,"volume":199.05774271861375,"volume_molar":14.984421825241965,"formula_full":"Ba2 Li4 Si2","formula_reduced":"BaLi2Si","formula_anonymous":"ABC2","energy":-24.38394271,"energy_per_atom":-3.04799283875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.52594271,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.137000Z","spacegroup":59},{"id":"mp-619206","created_at":"2022-09-04T14:42:01.489618Z","structure_string":"Sr2 Ca4 In4 Ge2\n1.0\n2.446506 -6.116846 0.000000\n2.446506 6.116846 0.000000\n0.000000 0.000000 14.177819\nSr Ca In Ge\n2 4 4 2\ndirect\n0.339250 0.660750 0.250000 Sr\n0.660750 0.339250 0.750000 Sr\n0.629569 0.370431 0.404866 Ca\n0.629569 0.370431 0.095134 Ca\n0.370431 0.629569 0.595134 Ca\n0.370431 0.629569 0.904866 Ca\n0.084844 0.915156 0.580611 In\n0.915156 0.084844 0.419389 In\n0.915156 0.084844 0.080611 In\n0.084844 0.915156 0.919389 In\n0.059247 0.940753 0.250000 Ge\n0.940753 0.059247 0.750000 Ge\n","nsites":12,"nelements":4,"elements":["Sr","Ca","In","Ge"],"chemical_system":"Ca-Ge-In-Sr","density":3.6788471399991756,"density_atomic":0.028279256745110663,"volume":424.3392995848357,"volume_molar":21.295258267497417,"formula_full":"Sr2 Ca4 In4 Ge2","formula_reduced":"SrCa2In2Ge","formula_anonymous":"ABC2D2","energy":-36.75454364,"energy_per_atom":-3.062878636666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.75454364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017929,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.550000Z","spacegroup":63}]}