HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12155",
"results": [
{
"id": "mp-1245164",
"created_at": "2022-09-04T14:42:42.610294Z",
"structure_string": "Ti100\n1.0\n12.359664 0.617305 -0.949522\n0.615810 11.934165 -0.752759\n-0.956925 -0.743064 12.018280\nTi\n100\ndirect\n0.732945 0.878391 0.782797 Ti\n0.766999 0.966867 0.321045 Ti\n0.509691 0.717270 0.322125 Ti\n0.155037 0.239514 0.353965 Ti\n0.426026 0.453827 0.637591 Ti\n0.685222 0.698609 0.201033 Ti\n0.911010 0.612338 0.714556 Ti\n0.107881 0.742986 0.837379 Ti\n0.383195 0.441893 0.053206 Ti\n0.921709 0.961805 0.164054 Ti\n0.151859 0.187561 0.774959 Ti\n0.875736 0.559685 0.282282 Ti\n0.699039 0.791729 0.417626 Ti\n0.678783 0.556970 0.378917 Ti\n0.185120 0.946847 0.447738 Ti\n0.796413 0.187016 0.446094 Ti\n0.154316 0.034750 0.213217 Ti\n0.466404 0.277807 0.209771 Ti\n0.638196 0.527398 0.934708 Ti\n0.967586 0.086724 0.614987 Ti\n0.671413 0.342605 0.283535 Ti\n0.738002 0.681769 0.854796 Ti\n0.508736 0.940038 0.447514 Ti\n0.946792 0.011662 0.963221 Ti\n0.933836 0.870052 0.705909 Ti\n0.557775 0.819295 0.617642 Ti\n0.585210 0.127309 0.363656 Ti\n0.359619 0.117923 0.225207 Ti\n0.488617 0.389112 0.849558 Ti\n0.268768 0.550819 0.482193 Ti\n0.142242 0.976430 0.887285 Ti\n0.965218 0.893428 0.472450 Ti\n0.771973 0.413709 0.124650 Ti\n0.602792 0.291291 0.044908 Ti\n0.289955 0.353804 0.816931 Ti\n0.207053 0.572267 0.984453 Ti\n0.454538 0.495455 0.311910 Ti\n0.316852 0.734633 0.651074 Ti\n0.571585 0.035743 0.676901 Ti\n0.365792 0.960371 0.618781 Ti\n0.887194 0.773530 0.254089 Ti\n0.199480 0.140809 0.572575 Ti\n0.749608 0.141743 0.196063 Ti\n0.503972 0.606608 0.522873 Ti\n0.536648 0.746887 0.018437 Ti\n0.829365 0.626766 0.058555 Ti\n0.791091 0.086899 0.758060 Ti\n0.365256 0.706672 0.117215 Ti\n0.517582 0.155559 0.869554 Ti\n0.662942 0.472051 0.702023 Ti\n0.051906 0.407199 0.728141 Ti\n0.717693 0.057631 0.962769 Ti\n0.362051 0.337099 0.406652 Ti\n0.328453 0.040434 0.830900 Ti\n0.546570 0.070252 0.081650 Ti\n0.121926 0.829480 0.257062 Ti\n0.098513 0.466204 0.321297 Ti\n0.899867 0.354421 0.338159 Ti\n0.682897 0.288482 0.827641 Ti\n0.154499 0.834461 0.054128 Ti\n0.154152 0.934598 0.667985 Ti\n0.518818 0.661988 0.760165 Ti\n0.819533 0.443499 0.538986 Ti\n0.529960 0.908570 0.865339 Ti\n0.332361 0.762930 0.435275 Ti\n0.849247 0.245516 0.991251 Ti\n0.223170 0.364399 0.579190 Ti\n0.393848 0.598866 0.905310 Ti\n0.336339 0.900746 0.270379 Ti\n0.974268 0.195841 0.184495 Ti\n0.010195 0.577273 0.913504 Ti\n0.227076 0.556369 0.730235 Ti\n0.633656 0.214578 0.599784 Ti\n0.412963 0.219759 0.663413 Ti\n0.568840 0.522225 0.140738 Ti\n0.744987 0.978026 0.554898 Ti\n0.023803 0.502152 0.514423 Ti\n0.854025 0.448279 0.873570 Ti\n0.048396 0.635334 0.140081 Ti\n0.316517 0.814479 0.872001 Ti\n0.083550 0.715218 0.614470 Ti\n0.350846 0.956614 0.048858 Ti\n0.723103 0.862940 0.060312 Ti\n0.994479 0.081758 0.368901 Ti\n0.888888 0.694913 0.496983 Ti\n0.130626 0.161662 0.041420 Ti\n0.356727 0.112421 0.446284 Ti\n0.253828 0.606886 0.251989 Ti\n0.097035 0.695745 0.397058 Ti\n0.121984 0.358419 0.948912 Ti\n0.338363 0.215741 0.001292 Ti\n0.552619 0.902653 0.221178 Ti\n0.719003 0.669338 0.614702 Ti\n0.927935 0.793532 0.977013 Ti\n0.238029 0.349449 0.179378 Ti\n0.986765 0.408070 0.108843 Ti\n0.007572 0.277472 0.520800 Ti\n0.843805 0.288258 0.685806 Ti\n0.595490 0.381079 0.473874 Ti\n0.980537 0.180660 0.850305 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.538689194757154,
"density_atomic": 0.05710118705196525,
"volume": 1751.2770778126635,
"volume_molar": 10.546437072349333,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -775.71601314,
"energy_per_atom": -7.7571601314,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -775.71601314,
"band_gap": 0.0001999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.538000Z",
"spacegroup": 1
},
{
"id": "mp-1181019",
"created_at": "2022-09-04T14:42:40.317045Z",
"structure_string": "Mo16\n1.0\n9.977238 0.000000 -1.359100\n0.000000 5.193482 0.000000\n0.000242 0.000000 5.039277\nMo\n16\ndirect\n0.562674 0.517640 0.978099 Mo\n0.437326 0.017640 0.021901 Mo\n0.562032 0.265783 0.479234 Mo\n0.437968 0.765783 0.520766 Mo\n0.808219 0.291268 0.366545 Mo\n0.191781 0.791268 0.633455 Mo\n0.809040 0.472261 0.864110 Mo\n0.190960 0.972261 0.135890 Mo\n0.686775 0.775506 0.428418 Mo\n0.313225 0.275506 0.571582 Mo\n0.935572 0.831401 0.317134 Mo\n0.064428 0.331401 0.682866 Mo\n0.936123 0.927469 0.816913 Mo\n0.063877 0.427469 0.183087 Mo\n0.688477 0.998674 0.925124 Mo\n0.311523 0.498674 0.074876 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.761774227467827,
"density_atomic": 0.06127452416663223,
"volume": 261.1199387936331,
"volume_molar": 9.82813141661152,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -168.21900165,
"energy_per_atom": -10.513687603125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.21900165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.254000Z",
"spacegroup": 4
},
{
"id": "mp-973571",
"created_at": "2022-09-04T14:42:42.454829Z",
"structure_string": "Lu3\n1.0\n8.403829 -1.743540 0.000000\n8.403829 1.743540 0.000000\n8.042098 0.000000 2.998157\nLu\n3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.221927 0.221927 0.221927 Lu\n0.778073 0.778073 0.778073 Lu\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.920487371530287,
"density_atomic": 0.03414505099807595,
"volume": 87.86046329727397,
"volume_molar": 17.636935907166585,
"formula_full": "Lu3",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -13.56065146,
"energy_per_atom": -4.520217153333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.56065146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0375953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.199000Z",
"spacegroup": 166
},
{
"id": "mp-1184502",
"created_at": "2022-09-04T14:42:39.769064Z",
"structure_string": "In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n",
"nsites": 3,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 7.020315339450969,
"density_atomic": 0.03682116668847311,
"volume": 81.47487626835985,
"volume_molar": 16.355105776388218,
"formula_full": "In3",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -8.25505119,
"energy_per_atom": -2.75168373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25505119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.063000Z",
"spacegroup": 166
},
{
"id": "mp-1055423",
"created_at": "2022-09-04T14:42:49.865549Z",
"structure_string": "Pu4\n1.0\n-0.018661 0.198357 3.522173\n4.535293 -0.273562 -0.014382\n1.969982 4.375312 0.246116\nPu\n4\ndirect\n0.857106 0.340361 0.247748 Pu\n0.581779 0.841192 0.251814 Pu\n0.418545 0.158791 0.748301 Pu\n0.142573 0.659657 0.752137 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.647044571012607,
"density_atomic": 0.05589495502121435,
"volume": 71.56280917449243,
"volume_molar": 10.774032750745322,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.71455862,
"energy_per_atom": -14.178639655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71455862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.550000Z",
"spacegroup": 2
},
{
"id": "mp-570778",
"created_at": "2022-09-04T14:42:41.956377Z",
"structure_string": "Cl16\n1.0\n11.765809 0.000000 0.000000\n0.000000 11.765809 0.000000\n0.000000 0.000000 8.203525\nCl\n16\ndirect\n0.344483 0.606098 0.639232 Cl\n0.844483 0.893902 0.360768 Cl\n0.106098 0.844483 0.639232 Cl\n0.893902 0.155517 0.639232 Cl\n0.844483 0.106098 0.860768 Cl\n0.344483 0.393902 0.139232 Cl\n0.155517 0.893902 0.860768 Cl\n0.655517 0.606098 0.139232 Cl\n0.893902 0.844483 0.139232 Cl\n0.655517 0.393902 0.639232 Cl\n0.393902 0.655517 0.860768 Cl\n0.393902 0.344483 0.360768 Cl\n0.606098 0.655517 0.360768 Cl\n0.606098 0.344483 0.860768 Cl\n0.155517 0.106098 0.360768 Cl\n0.106098 0.155517 0.139232 Cl\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 0.829426633679966,
"density_atomic": 0.014088861139649257,
"volume": 1135.6489244522656,
"volume_molar": 42.743985481213436,
"formula_full": "Cl16",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"energy": -29.01693064,
"energy_per_atom": -1.813558165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.01693064,
"band_gap": 2.558,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.876000Z",
"spacegroup": 138
},
{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 0.27117934564032864,
"density_atomic": 0.0019107549173081662,
"volume": 4186.826854419531,
"volume_molar": 315.17075818828056,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -4.22407837,
"energy_per_atom": -0.52800979625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.22407837,
"band_gap": 0.1102999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.8808979,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.898000Z",
"spacegroup": 139
},
{
"id": "mp-1197206",
"created_at": "2022-09-04T14:42:49.835794Z",
"structure_string": "U32\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-22.761924 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.215704 0.500000 U\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.500000 U\n0.000000 0.784296 0.000000 U\n0.989198 0.281920 0.750000 U\n0.010802 0.281920 0.250000 U\n0.010802 0.718080 0.250000 U\n0.989198 0.718080 0.750000 U\n0.496094 0.283089 0.561302 U\n0.503906 0.283089 0.438698 U\n0.496094 0.283089 0.938698 U\n0.503906 0.283089 0.061302 U\n0.503906 0.716911 0.438698 U\n0.496094 0.716911 0.561302 U\n0.503906 0.716911 0.061302 U\n0.496094 0.716911 0.938698 U\n0.992340 0.222753 0.624313 U\n0.007660 0.222753 0.375687 U\n0.992340 0.222753 0.875687 U\n0.007660 0.222753 0.124313 U\n0.007660 0.777247 0.375687 U\n0.992340 0.777247 0.624313 U\n0.007660 0.777247 0.124313 U\n0.992340 0.777247 0.875687 U\n0.489469 0.223072 0.688054 U\n0.510531 0.223072 0.311946 U\n0.489469 0.223072 0.811946 U\n0.510531 0.223072 0.188054 U\n0.510531 0.776928 0.311946 U\n0.489469 0.776928 0.688054 U\n0.510531 0.776928 0.188054 U\n0.489469 0.776928 0.811946 U\n",
"nsites": 32,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 676.1132893533311,
"volume_molar": 12.723904369351153,
"formula_full": "U32",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -349.9526744,
"energy_per_atom": -10.936021075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.9526744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 51
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-1064244",
"created_at": "2022-09-04T14:42:57.492604Z",
"structure_string": "Sc4\n1.0\n5.422676 0.000000 0.000000\n0.000000 5.422676 0.000000\n0.000000 0.000000 3.435206\nSc\n4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.532664 Sc\n0.000000 0.500000 0.467336 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.956077409580834,
"density_atomic": 0.039598605549596946,
"volume": 101.01365804384275,
"volume_molar": 15.207961685563184,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -24.87992786,
"energy_per_atom": -6.219981965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.87992786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0881651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.099000Z",
"spacegroup": 129
},
{
"id": "mp-568348",
"created_at": "2022-09-04T14:43:05.516216Z",
"structure_string": "P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n",
"nsites": 84,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.1490901450835844,
"density_atomic": 0.0417841506113939,
"volume": 2010.3316394110088,
"volume_molar": 14.412500127160309,
"formula_full": "P84",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -454.32817717,
"energy_per_atom": -5.408668775833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.32817717,
"band_gap": 1.8454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.644000Z",
"spacegroup": 13
},
{
"id": "mp-119",
"created_at": "2022-09-04T14:43:00.408254Z",
"structure_string": "Se1\n1.0\n-1.723875 1.723875 1.723875\n1.723875 -1.723875 1.723875\n1.723875 1.723875 -1.723875\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.398511154134527,
"density_atomic": 0.04880032274309051,
"volume": 20.49166775524219,
"volume_molar": 12.34037076292217,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -2.90028467,
"energy_per_atom": -2.90028467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.90028467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 229
}
]
}