{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=12160","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=12158","results":[{"id":"mp-17817","created_at":"2022-09-04T14:40:15.842946Z","structure_string":"Ca12 Ge8 P16\n1.0\n17.572168 0.000000 0.000000\n0.000000 7.088522 0.000000\n0.000000 2.648224 6.640003\nCa Ge P\n12 8 16\ndirect\n0.316950 0.011985 0.785077 Ca\n0.816950 0.488015 0.214923 Ca\n0.060117 0.011754 0.742582 Ca\n0.183050 0.511985 0.785077 Ca\n0.439762 0.995908 0.262419 Ca\n0.939762 0.504092 0.737581 Ca\n0.560238 0.004092 0.737581 Ca\n0.060238 0.495908 0.262419 Ca\n0.439883 0.511754 0.742582 Ca\n0.939883 0.988246 0.257418 Ca\n0.560117 0.488246 0.257418 Ca\n0.683050 0.988015 0.214923 Ca\n0.874499 0.030208 0.790949 Ge\n0.125501 0.969792 0.209051 Ge\n0.625501 0.530208 0.790949 Ge\n0.242449 0.084699 0.319557 Ge\n0.742449 0.415301 0.680443 Ge\n0.757551 0.915301 0.680443 Ge\n0.257551 0.584699 0.319557 Ge\n0.374499 0.469792 0.209051 Ge\n0.434123 0.253739 0.501658 P\n0.685051 0.723158 0.965557 P\n0.814949 0.223158 0.965557 P\n0.314949 0.276842 0.034443 P\n0.303164 0.772510 0.512516 P\n0.803164 0.727490 0.487484 P\n0.696836 0.227490 0.487484 P\n0.196836 0.272510 0.512516 P\n0.058687 0.251583 0.003545 P\n0.185051 0.776842 0.034443 P\n0.558687 0.248417 0.996455 P\n0.941313 0.748417 0.996455 P\n0.934123 0.246261 0.498342 P\n0.565877 0.746261 0.498342 P\n0.065877 0.753739 0.501658 P\n0.441313 0.751583 0.003545 P\n","nsites":36,"nelements":3,"elements":["Ca","Ge","P"],"chemical_system":"Ca-Ge-P","density":3.127273128517315,"density_atomic":0.04352644390344154,"volume":827.0834180679199,"volume_molar":13.835591010741503,"formula_full":"Ca12 Ge8 P16","formula_reduced":"Ca3(GeP2)2","formula_anonymous":"A2B3C4","energy":-176.18569762,"energy_per_atom":-4.894047156111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.18569762,"band_gap":0.8651999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002475,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.200000Z","spacegroup":14},{"id":"mp-1213533","created_at":"2022-09-04T14:40:15.844980Z","structure_string":"Dy6 Ni22 Ge8\n1.0\n-4.158520 -7.202767 0.000000\n-4.158520 7.202767 0.000000\n0.000000 0.000000 -8.564885\nDy Ni Ge\n6 22 8\ndirect\n0.804534 0.195466 0.750000 Dy\n0.195466 0.804534 0.250000 Dy\n0.390932 0.195466 0.750000 Dy\n0.609068 0.804534 0.250000 Dy\n0.804534 0.609068 0.750000 Dy\n0.195466 0.390932 0.250000 Dy\n0.841537 0.158463 0.405246 Ni\n0.158463 0.841537 0.594754 Ni\n0.316925 0.158463 0.405246 Ni\n0.158463 0.841537 0.905246 Ni\n0.683075 0.841537 0.594754 Ni\n0.841537 0.158463 0.094754 Ni\n0.841537 0.683075 0.405246 Ni\n0.683075 0.841537 0.905246 Ni\n0.158463 0.316925 0.594754 Ni\n0.316925 0.158463 0.094754 Ni\n0.158463 0.316925 0.905246 Ni\n0.841537 0.683075 0.094754 Ni\n0.434459 0.565541 0.750000 Ni\n0.565541 0.434459 0.250000 Ni\n0.131083 0.565541 0.750000 Ni\n0.868917 0.434459 0.250000 Ni\n0.434459 0.868917 0.750000 Ni\n0.565541 0.131083 0.250000 Ni\n0.666667 0.333333 0.003904 Ni\n0.333333 0.666667 0.996096 Ni\n0.333333 0.666667 0.503904 Ni\n0.666667 0.333333 0.496096 Ni\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.000000 0.000000 0.750000 Ge\n0.000000 0.000000 0.250000 Ge\n","nsites":36,"nelements":3,"elements":["Dy","Ni","Ge"],"chemical_system":"Dy-Ge-Ni","density":9.215184655758115,"density_atomic":0.07016375256392789,"volume":513.0854420478655,"volume_molar":8.582979871997413,"formula_full":"Dy6 Ni22 Ge8","formula_reduced":"Dy3Ni11Ge4","formula_anonymous":"A3B4C11","energy":-207.74513672,"energy_per_atom":-5.770698242222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-207.74513672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5493715,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.505000Z","spacegroup":194},{"id":"mp-1247463","created_at":"2022-09-04T14:40:15.847611Z","structure_string":"Fe4 Se3 N2\n1.0\n6.409731 -0.185713 -0.166689\n0.938337 3.158385 0.000000\n5.890490 -1.750029 6.224217\nFe Se N\n4 3 2\ndirect\n0.390450 0.804775 0.634925 Fe\n0.609550 0.195225 0.365075 Fe\n0.559260 0.720370 0.151699 Fe\n0.440740 0.279630 0.848301 Fe\n0.000000 0.000000 0.000000 Se\n0.757985 0.621008 0.795788 Se\n0.242015 0.378992 0.204212 Se\n0.432857 0.783571 0.408177 N\n0.567143 0.216429 0.591823 N\n","nsites":9,"nelements":3,"elements":["Fe","Se","N"],"chemical_system":"Fe-N-Se","density":6.214668843667709,"density_atomic":0.06898399443766173,"volume":130.46504589021683,"volume_molar":8.72976522900828,"formula_full":"Fe4 Se3 N2","formula_reduced":"Fe4Se3N2","formula_anonymous":"A2B3C4","energy":-63.24502931,"energy_per_atom":-7.027225478888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.10702931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4668772,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.407000Z","spacegroup":12},{"id":"mp-1072444","created_at":"2022-09-04T14:40:15.849589Z","structure_string":"U1 Pt5\n1.0\n0.000000 3.747369 3.747369\n3.747369 0.000000 3.747369\n3.747369 3.747369 0.000000\nU Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Pt\n0.624723 0.624723 0.125831 Pt\n0.624723 0.125831 0.624723 Pt\n0.125831 0.624723 0.624723 Pt\n0.624723 0.624723 0.624723 Pt\n","nsites":6,"nelements":2,"elements":["U","Pt"],"chemical_system":"Pt-U","density":19.145257784598794,"density_atomic":0.057008796837692985,"volume":105.24691508719808,"volume_molar":10.563528953514576,"formula_full":"U1 Pt5","formula_reduced":"UPt5","formula_anonymous":"AB5","energy":-44.85812261,"energy_per_atom":-7.476353768333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.85812261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028598,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.631000Z","spacegroup":216},{"id":"mp-627043","created_at":"2022-09-04T14:40:15.851554Z","structure_string":"Ba8 H16 O16\n1.0\n6.869420 0.000000 0.000000\n-0.150744 8.139824 0.000000\n-1.331916 -0.069049 9.398103\nBa H O\n8 16 16\ndirect\n0.736468 0.861820 0.097776 Ba\n0.241628 0.644125 0.600192 Ba\n0.243403 0.147059 0.903042 Ba\n0.742904 0.351119 0.405774 Ba\n0.709861 0.924601 0.653734 Ba\n0.216750 0.553495 0.170934 Ba\n0.279415 0.038300 0.321881 Ba\n0.789243 0.445839 0.815627 Ba\n0.813610 0.952716 0.374137 H\n0.141144 0.615165 0.879753 H\n0.366513 0.106058 0.621641 H\n0.693350 0.454339 0.114690 H\n0.656553 0.155313 0.824494 H\n0.092212 0.315128 0.314118 H\n0.227903 0.844686 0.023003 H\n0.722085 0.645539 0.510246 H\n0.887659 0.181986 0.064618 H\n0.376797 0.326015 0.546277 H\n0.879794 0.765958 0.874638 H\n0.543067 0.761261 0.357031 H\n0.048368 0.147227 0.626535 H\n0.550024 0.219504 0.128841 H\n0.952157 0.712659 0.376328 H\n0.461702 0.651197 0.875054 H\n0.684486 0.004961 0.369592 O\n0.191463 0.501160 0.875859 O\n0.311044 0.992448 0.616450 O\n0.805297 0.531109 0.114928 O\n0.646691 0.129250 0.922994 O\n0.142749 0.371427 0.403964 O\n0.346604 0.869073 0.091935 O\n0.849764 0.629970 0.575224 O\n0.013447 0.161111 0.124597 O\n0.498302 0.315031 0.614251 O\n0.013070 0.811729 0.883272 O\n0.499321 0.660579 0.400146 O\n0.942806 0.192619 0.674234 O\n0.461451 0.289195 0.173255 O\n0.030120 0.791295 0.328923 O\n0.561787 0.704074 0.824665 O\n","nsites":40,"nelements":3,"elements":["Ba","H","O"],"chemical_system":"Ba-H-O","density":4.331385317524144,"density_atomic":0.07611753333147497,"volume":525.5031035465754,"volume_molar":7.911634148435832,"formula_full":"Ba8 H16 O16","formula_reduced":"Ba(HO)2","formula_anonymous":"AB2C2","energy":-229.19501797,"energy_per_atom":-5.729875449250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.20301797,"band_gap":4.1934000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003018,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.467000Z","spacegroup":1},{"id":"mp-684944","created_at":"2022-09-04T14:40:15.851335Z","structure_string":"In8 S12\n1.0\n3.824415 6.713530 0.000000\n-3.824415 6.713530 0.000000\n0.000000 4.088151 12.886942\nIn S\n8 12\ndirect\n0.706202 0.706202 0.393954 In\n0.804502 0.804502 0.749886 In\n0.002784 0.002784 0.521938 In\n0.254569 0.254569 0.236739 In\n0.247776 0.753763 0.238378 In\n0.290405 0.290405 0.555236 In\n0.753763 0.247776 0.238378 In\n0.793740 0.793740 0.080605 In\n0.629323 0.119892 0.626704 S\n0.893172 0.893172 0.375031 S\n0.119892 0.629323 0.626704 S\n0.117159 0.117159 0.141445 S\n0.889655 0.347804 0.374661 S\n0.873373 0.873373 0.890494 S\n0.107012 0.107012 0.644870 S\n0.347804 0.889655 0.374661 S\n0.141970 0.609526 0.127440 S\n0.609526 0.141970 0.127440 S\n0.378315 0.378315 0.360476 S\n0.601559 0.601559 0.127461 S\n","nsites":20,"nelements":2,"elements":["In","S"],"chemical_system":"In-S","density":3.2704361427326,"density_atomic":0.030222763955752137,"volume":661.7528439583206,"volume_molar":19.92584387323661,"formula_full":"In8 S12","formula_reduced":"In2S3","formula_anonymous":"A2B3","energy":-85.14579194,"energy_per_atom":-4.257289597,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.10979194,"band_gap":0.3618999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004482,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.614000Z","spacegroup":8},{"id":"mp-1080160","created_at":"2022-09-04T14:40:15.854975Z","structure_string":"Te2 Mo2 W2 S6\n1.0\n1.637838 -2.836818 0.000000\n1.637838 2.836818 0.000000\n0.000000 0.000000 37.256165\nTe Mo W S\n2 2 2 6\ndirect\n0.333333 0.666667 0.417788 Te\n0.333333 0.666667 0.521546 Te\n0.000000 0.000000 0.093929 Mo\n0.333333 0.666667 0.657559 Mo\n0.000000 0.000000 0.469676 W\n0.333333 0.666667 0.281772 W\n0.000000 0.000000 0.323161 S\n0.000000 0.000000 0.698860 S\n0.333333 0.666667 0.052602 S\n0.333333 0.666667 0.135254 S\n0.000000 0.000000 0.240390 S\n0.000000 0.000000 0.616211 S\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","S"],"chemical_system":"Mo-S-Te-W","density":4.830729210409592,"density_atomic":0.03466176591997247,"volume":346.20278804333725,"volume_molar":17.374016009178515,"formula_full":"Te2 Mo2 W2 S6","formula_reduced":"TeMoWS3","formula_anonymous":"ABCD3","energy":-88.88354248,"energy_per_atom":-7.406961873333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.86554248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008678,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.009000Z","spacegroup":156},{"id":"mp-1340971","created_at":"2022-09-04T14:40:15.955288Z","structure_string":"Zn4 W4 O12\n1.0\n5.330486 0.000000 0.000000\n0.000000 5.384023 0.000000\n0.000000 0.000000 7.940744\nZn W O\n4 4 12\ndirect\n0.518438 0.019114 0.250000 Zn\n0.018438 0.480886 0.750000 Zn\n0.981562 0.519114 0.250000 Zn\n0.481562 0.980886 0.750000 Zn\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.385439 0.604665 0.750000 O\n0.885439 0.895335 0.250000 O\n0.114561 0.104665 0.750000 O\n0.614561 0.395335 0.250000 O\n0.162734 0.323384 0.431376 O\n0.662734 0.176616 0.568624 O\n0.337266 0.823384 0.068624 O\n0.837266 0.676616 0.931376 O\n0.162734 0.323384 0.068624 O\n0.662734 0.176616 0.931376 O\n0.837266 0.676616 0.568624 O\n0.337266 0.823384 0.431376 O\n","nsites":20,"nelements":3,"elements":["Zn","W","O"],"chemical_system":"O-W-Zn","density":8.663471528886411,"density_atomic":0.08775969131960895,"volume":227.89505864557682,"volume_molar":6.862080608360593,"formula_full":"Zn4 W4 O12","formula_reduced":"ZnWO3","formula_anonymous":"ABC3","energy":-153.23511859,"energy_per_atom":-7.661755929500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.23911859,"band_gap":1.8923,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998902,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.346000Z","spacegroup":62},{"id":"mp-1190561","created_at":"2022-09-04T14:40:15.857448Z","structure_string":"K2 Tb2 W4 O16\n1.0\n5.307243 5.452166 0.000000\n-5.307243 5.452166 0.000000\n0.000000 4.845611 5.714034\nK Tb W O\n2 2 4 16\ndirect\n0.703261 0.296739 0.750000 K\n0.296739 0.703261 0.250000 K\n0.275339 0.724661 0.750000 Tb\n0.724661 0.275339 0.250000 Tb\n0.799686 0.808332 0.221676 W\n0.191668 0.200314 0.278324 W\n0.200314 0.191668 0.778324 W\n0.808332 0.799686 0.721676 W\n0.457468 0.285500 0.185575 O\n0.714500 0.542532 0.314425 O\n0.542532 0.714500 0.814425 O\n0.285500 0.457468 0.685575 O\n0.089774 0.869694 0.968792 O\n0.130306 0.910226 0.531208 O\n0.910226 0.130306 0.031208 O\n0.869694 0.089774 0.468792 O\n0.123724 0.438247 0.124644 O\n0.561753 0.876276 0.375356 O\n0.876276 0.561753 0.875356 O\n0.438247 0.123724 0.624644 O\n0.742898 0.878643 0.944455 O\n0.121357 0.257102 0.555545 O\n0.257102 0.121357 0.055545 O\n0.878643 0.742898 0.444455 O\n","nsites":24,"nelements":4,"elements":["K","Tb","W","O"],"chemical_system":"K-O-Tb-W","density":6.966894093714647,"density_atomic":0.07257722899242725,"volume":330.68223095847566,"volume_molar":8.29756225692821,"formula_full":"K2 Tb2 W4 O16","formula_reduced":"KTb(WO4)2","formula_anonymous":"ABC2D8","energy":-206.80052569,"energy_per_atom":-8.616688570416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.05652569,"band_gap":3.3535000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.32e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:48.214000Z","spacegroup":15},{"id":"mp-1224694","created_at":"2022-09-04T14:40:15.860807Z","structure_string":"Fe2 Pd1\n1.0\n1.382564 -2.394672 0.000000\n1.382564 2.394672 0.000000\n0.000000 0.000000 6.140175\nFe Pd\n2 1\ndirect\n0.333333 0.666667 0.651120 Fe\n0.666667 0.333333 0.348880 Fe\n0.000000 0.000000 0.000000 Pd\n","nsites":3,"nelements":2,"elements":["Fe","Pd"],"chemical_system":"Fe-Pd","density":8.908050082019246,"density_atomic":0.07378689401162926,"volume":40.65762680737289,"volume_molar":8.16153172005163,"formula_full":"Fe2 Pd1","formula_reduced":"Fe2Pd","formula_anonymous":"AB2","energy":-21.90280919,"energy_per_atom":-7.300936396666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.90280919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.8498961,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.205000Z","spacegroup":164},{"id":"mp-28049","created_at":"2022-09-04T14:40:15.866835Z","structure_string":"Ba4 Br4 Cl4\n1.0\n5.062409 0.000000 0.000000\n0.000000 8.148126 0.000000\n0.000000 0.000000 10.286327\nBa Br Cl\n4 4 4\ndirect\n0.250000 0.228260 0.906743 Ba\n0.750000 0.771740 0.093257 Ba\n0.250000 0.728260 0.593257 Ba\n0.750000 0.271740 0.406743 Ba\n0.750000 0.361521 0.091993 Br\n0.250000 0.638479 0.908007 Br\n0.750000 0.861521 0.408007 Br\n0.250000 0.138479 0.591993 Br\n0.250000 0.996914 0.147543 Cl\n0.750000 0.003086 0.852457 Cl\n0.250000 0.496914 0.352457 Cl\n0.750000 0.503086 0.647543 Cl\n","nsites":12,"nelements":3,"elements":["Ba","Br","Cl"],"chemical_system":"Ba-Br-Cl","density":3.955592455580142,"density_atomic":0.028281728837120365,"volume":424.302208295334,"volume_molar":21.293396859444506,"formula_full":"Ba4 Br4 Cl4","formula_reduced":"BaBrCl","formula_anonymous":"ABC","energy":-54.50702285,"energy_per_atom":-4.542251904166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.91502285,"band_gap":4.9288,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012246,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.518000Z","spacegroup":62},{"id":"mp-32314","created_at":"2022-09-04T14:40:15.869649Z","structure_string":"Li4 Ni4 P8 O28\n1.0\n-6.470317 0.000000 0.000000\n2.673055 8.873823 0.000000\n-0.719344 -4.334662 -9.493297\nLi Ni P O\n4 4 8 28\ndirect\n0.033892 0.165219 0.476273 Li\n0.940924 0.929919 0.945751 Li\n0.347959 0.936464 0.403260 Li\n0.541033 0.500097 0.979538 Li\n0.632752 0.486872 0.250913 Ni\n0.370082 0.503061 0.741760 Ni\n0.712420 0.097997 0.217792 Ni\n0.288509 0.891712 0.768885 Ni\n0.879778 0.545141 0.704058 P\n0.577936 0.300540 0.459558 P\n0.420082 0.689666 0.530937 P\n0.090488 0.192532 0.793910 P\n0.114277 0.432821 0.296534 P\n0.699631 0.189208 0.949603 P\n0.302428 0.803878 0.042638 P\n0.918714 0.808571 0.198149 P\n0.373959 0.321033 0.538639 O\n0.990413 0.122290 0.645109 O\n0.956344 0.510603 0.265740 O\n0.778938 0.456572 0.542301 O\n0.302123 0.330084 0.821138 O\n0.073021 0.711904 0.086004 O\n0.570268 0.295838 0.308985 O\n0.309356 0.450890 0.206779 O\n0.046154 0.458461 0.707670 O\n0.928640 0.278117 0.905163 O\n0.401645 0.668038 0.950201 O\n0.254684 0.902937 0.967122 O\n0.744649 0.087382 0.022807 O\n0.365305 0.847475 0.549810 O\n0.562239 0.074287 0.813251 O\n0.981826 0.727938 0.736056 O\n0.205964 0.538436 0.458639 O\n0.685998 0.518800 0.792450 O\n0.710199 0.671236 0.186267 O\n0.864628 0.917403 0.134452 O\n0.040682 0.913403 0.341045 O\n0.610057 0.331958 0.042380 O\n0.613446 0.652749 0.446875 O\n0.010332 0.259342 0.290564 O\n0.430623 0.919068 0.183777 O\n0.434219 0.698386 0.682437 O\n0.111527 0.054129 0.831752 O\n0.634313 0.139659 0.432903 O\n","nsites":44,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":2.9194573496301555,"density_atomic":0.08072337067198113,"volume":545.0713917632813,"volume_molar":7.46021964874451,"formula_full":"Li4 Ni4 P8 O28","formula_reduced":"LiNiP2O7","formula_anonymous":"ABC2D7","energy":-313.22226257,"energy_per_atom":-7.118687785681818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.82226257,"band_gap":0.0262,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9996916,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.713000Z","spacegroup":1}]}