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=formation_energy&page=10240",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10238",
"results": [
{
"id": "mp-1026867",
"created_at": "2022-09-04T14:40:04.664656Z",
"structure_string": "Rb1 Mg14 Co1\n1.0\n6.392104 0.000000 0.000000\n-3.196052 5.535724 -0.000000\n0.000000 -0.000000 10.684811\nRb Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.155498 0.827749 0.125000 Mg\n0.173201 0.836600 0.625000 Mg\n0.672251 0.344502 0.125000 Mg\n0.663400 0.326799 0.625000 Mg\n0.672251 0.827749 0.125000 Mg\n0.663400 0.836600 0.625000 Mg\n0.329386 0.170614 0.341124 Mg\n0.329386 0.170614 0.908876 Mg\n0.329386 0.658773 0.341124 Mg\n0.329386 0.658773 0.908876 Mg\n0.841227 0.170614 0.341124 Mg\n0.841227 0.170614 0.908876 Mg\n0.833333 0.666667 0.385277 Mg\n0.833333 0.666667 0.864723 Mg\n0.166667 0.333333 0.125000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Rb",
"density": 2.128683147608634,
"density_atomic": 0.04231894934094532,
"volume": 378.08122009587186,
"volume_molar": 14.230364538311758,
"formula_full": "Rb1 Mg14 Co1",
"formula_reduced": "RbMg14Co",
"formula_anonymous": "ABC14",
"energy": -26.87793421,
"energy_per_atom": -1.679870888125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.87793421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0032153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.983000Z",
"spacegroup": 187
},
{
"id": "mp-20355",
"created_at": "2022-09-04T14:40:04.572417Z",
"structure_string": "Ce4 Co2 Si6\n1.0\n4.019157 -6.961384 0.000000\n4.019157 6.961384 0.000000\n0.000000 0.000000 4.106534\nCe Co Si\n4 2 6\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.500000 Co\n0.666667 0.333333 0.500000 Co\n0.830034 0.660068 0.500000 Si\n0.169966 0.830034 0.500000 Si\n0.660068 0.830034 0.500000 Si\n0.169966 0.339932 0.500000 Si\n0.830034 0.169966 0.500000 Si\n0.339932 0.169966 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Si"
],
"chemical_system": "Ce-Co-Si",
"density": 6.119503941304176,
"density_atomic": 0.05222100978360681,
"volume": 229.79256911587018,
"volume_molar": 11.532026640148326,
"formula_full": "Ce4 Co2 Si6",
"formula_reduced": "Ce2CoSi3",
"formula_anonymous": "AB2C3",
"energy": -79.10661298,
"energy_per_atom": -6.592217748333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.53261298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0765928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.378000Z",
"spacegroup": 191
},
{
"id": "mp-1443513",
"created_at": "2022-09-04T14:40:04.572626Z",
"structure_string": "Sb2 F8\n1.0\n5.112154 0.000000 0.000000\n-0.051521 5.254412 0.000000\n-2.204687 -2.446528 5.246284\nSb F\n2 8\ndirect\n0.492850 0.003108 0.998471 Sb\n0.981053 0.510325 0.993734 Sb\n0.332761 0.255929 0.230222 F\n0.246625 0.198744 0.798194 F\n0.572384 0.605405 0.789842 F\n0.113074 0.742782 0.778215 F\n0.874912 0.944625 0.211102 F\n0.413381 0.789457 0.195832 F\n0.773353 0.400636 0.206644 F\n0.692247 0.051810 0.785213 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sb",
"F"
],
"chemical_system": "F-Sb",
"density": 4.660405130461532,
"density_atomic": 0.07096106945047022,
"volume": 140.92234062199208,
"volume_molar": 8.486541714543023,
"formula_full": "Sb2 F8",
"formula_reduced": "SbF4",
"formula_anonymous": "AB4",
"energy": -48.32295805,
"energy_per_atom": -4.832295804999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.62695805,
"band_gap": 2.5203,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.814000Z",
"spacegroup": 1
},
{
"id": "mp-1347",
"created_at": "2022-09-04T14:40:04.580456Z",
"structure_string": "Th6 P8\n1.0\n-4.323186 4.323186 4.323186\n4.323186 -4.323186 4.323186\n4.323186 4.323186 -4.323186\nTh P\n6 8\ndirect\n0.625000 0.375000 0.250000 Th\n0.250000 0.625000 0.375000 Th\n0.750000 0.875000 0.125000 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.875000 0.125000 0.750000 Th\n0.158445 0.158445 0.158445 P\n0.500000 0.000000 0.841555 P\n0.841555 0.500000 0.000000 P\n0.000000 0.841555 0.500000 P\n0.341555 0.500000 0.000000 P\n0.000000 0.341555 0.500000 P\n0.500000 0.000000 0.341555 P\n0.658445 0.658445 0.658445 P\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Th",
"P"
],
"chemical_system": "P-Th",
"density": 8.426089712057433,
"density_atomic": 0.04331679158122038,
"volume": 323.20029921305576,
"volume_molar": 13.902554968108134,
"formula_full": "Th6 P8",
"formula_reduced": "Th3P4",
"formula_anonymous": "A3B4",
"energy": -107.82651956,
"energy_per_atom": -7.701894254285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.82651956,
"band_gap": 0.2616999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.882000Z",
"spacegroup": 220
},
{
"id": "mp-1228540",
"created_at": "2022-09-04T14:40:04.610129Z",
"structure_string": "Al2 V1 Ni9\n1.0\n3.553306 0.000000 0.000000\n0.000000 3.553306 0.000000\n0.000000 0.000000 10.616760\nAl V Ni\n2 1 9\ndirect\n0.000000 0.000000 0.336036 Al\n0.000000 0.000000 0.663964 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.333198 Ni\n0.500000 0.500000 0.666802 Ni\n0.500000 0.000000 0.163307 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.836693 Ni\n0.000000 0.500000 0.163307 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.836693 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"V",
"Ni"
],
"chemical_system": "Al-Ni-V",
"density": 7.843234180321484,
"density_atomic": 0.08952081506376246,
"volume": 134.0470368980983,
"volume_molar": 6.727084372177181,
"formula_full": "Al2 V1 Ni9",
"formula_reduced": "Al2VNi9",
"formula_anonymous": "AB2C9",
"energy": -73.36266827,
"energy_per_atom": -6.113555689166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.36266827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0838357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.596000Z",
"spacegroup": 123
},
{
"id": "mp-770271",
"created_at": "2022-09-04T14:40:04.641885Z",
"structure_string": "Ba4 La4 Cl20\n1.0\n14.092997 0.000000 0.000000\n0.000000 7.797386 0.000000\n0.000000 3.637965 10.106560\nBa La Cl\n4 4 20\ndirect\n0.979383 0.531364 0.743339 Ba\n0.479383 0.468636 0.756661 Ba\n0.520617 0.531364 0.243339 Ba\n0.020617 0.468636 0.256661 Ba\n0.746610 0.893996 0.900054 La\n0.753390 0.893996 0.400054 La\n0.246610 0.106004 0.599946 La\n0.253390 0.106004 0.099946 La\n0.097923 0.874580 0.692259 Cl\n0.803518 0.836674 0.665364 Cl\n0.367076 0.820054 0.640262 Cl\n0.893023 0.634516 0.995989 Cl\n0.613363 0.603768 0.946885 Cl\n0.402077 0.874580 0.192259 Cl\n0.696482 0.836674 0.165364 Cl\n0.132924 0.820054 0.140262 Cl\n0.606977 0.634516 0.495989 Cl\n0.886637 0.603768 0.446885 Cl\n0.113363 0.396232 0.553115 Cl\n0.393023 0.365484 0.504011 Cl\n0.867076 0.179946 0.859738 Cl\n0.303518 0.163326 0.834636 Cl\n0.597923 0.125420 0.807741 Cl\n0.386637 0.396232 0.053115 Cl\n0.106977 0.365484 0.004011 Cl\n0.632924 0.179946 0.359738 Cl\n0.196482 0.163326 0.334636 Cl\n0.902077 0.125420 0.307741 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"La",
"Cl"
],
"chemical_system": "Ba-Cl-La",
"density": 2.712240553398466,
"density_atomic": 0.02521170862371791,
"volume": 1110.5950976150425,
"volume_molar": 23.88628573287045,
"formula_full": "Ba4 La4 Cl20",
"formula_reduced": "BaLaCl5",
"formula_anonymous": "ABC5",
"energy": -144.07956415,
"energy_per_atom": -5.145698719642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.79956415,
"band_gap": 3.9281,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.615000Z",
"spacegroup": 14
},
{
"id": "mp-1226795",
"created_at": "2022-09-04T14:40:04.644935Z",
"structure_string": "Cd1 Pb1 S2\n1.0\n4.091581 0.000000 0.000000\n0.000000 4.091581 0.000000\n0.000000 0.000000 5.794427\nCd Pb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pb",
"S"
],
"chemical_system": "Cd-Pb-S",
"density": 6.568927945665678,
"density_atomic": 0.041235113000453,
"volume": 97.0047056729554,
"volume_molar": 14.604399798622698,
"formula_full": "Cd1 Pb1 S2",
"formula_reduced": "CdPbS2",
"formula_anonymous": "ABC2",
"energy": -15.71924908,
"energy_per_atom": -3.92981227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.71324908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.761000Z",
"spacegroup": 123
},
{
"id": "mp-569378",
"created_at": "2022-09-04T14:40:04.943826Z",
"structure_string": "Rb12 Ta8 Ag4 Se48\n1.0\n14.312933 0.000000 0.000000\n0.000000 10.031882 0.000000\n0.000000 8.532877 15.951157\nRb Ta Ag Se\n12 8 4 48\ndirect\n0.585229 0.350263 0.723257 Rb\n0.914771 0.350263 0.223257 Rb\n0.414771 0.649737 0.276743 Rb\n0.085229 0.649737 0.776743 Rb\n0.914674 0.720407 0.505236 Rb\n0.393980 0.837964 0.657249 Rb\n0.106020 0.837964 0.157249 Rb\n0.414674 0.279593 0.994764 Rb\n0.606020 0.162036 0.342751 Rb\n0.893980 0.162036 0.842751 Rb\n0.085326 0.279593 0.494764 Rb\n0.585326 0.720407 0.005236 Rb\n0.778649 0.714254 0.272699 Ta\n0.721351 0.714254 0.772699 Ta\n0.221735 0.922377 0.419687 Ta\n0.221351 0.285746 0.727301 Ta\n0.278265 0.922377 0.919687 Ta\n0.721735 0.077623 0.080313 Ta\n0.278649 0.285746 0.227301 Ta\n0.778265 0.077623 0.580313 Ta\n0.673194 0.382160 0.919187 Ag\n0.326806 0.617840 0.080813 Ag\n0.826806 0.382160 0.419187 Ag\n0.173194 0.617840 0.580813 Ag\n0.183828 0.010681 0.757731 Se\n0.724288 0.828587 0.365317 Se\n0.787267 0.573603 0.695757 Se\n0.212733 0.426397 0.304243 Se\n0.884473 0.850685 0.674584 Se\n0.115527 0.149315 0.325416 Se\n0.333393 0.155426 0.391510 Se\n0.316172 0.010681 0.257731 Se\n0.924208 0.099763 0.660010 Se\n0.775712 0.828587 0.865317 Se\n0.836717 0.106542 0.446123 Se\n0.712733 0.573603 0.195757 Se\n0.372896 0.515581 0.497813 Se\n0.275712 0.171413 0.634683 Se\n0.065908 0.396926 0.675801 Se\n0.816172 0.989319 0.242269 Se\n0.224288 0.171413 0.134683 Se\n0.833393 0.844574 0.108490 Se\n0.768501 0.348634 0.571855 Se\n0.565908 0.603074 0.824199 Se\n0.615527 0.850685 0.174584 Se\n0.163283 0.893458 0.553877 Se\n0.627104 0.484419 0.502187 Se\n0.872896 0.484419 0.002187 Se\n0.098794 0.901800 0.936004 Se\n0.575792 0.099763 0.160010 Se\n0.268501 0.651366 0.928145 Se\n0.384473 0.149315 0.825416 Se\n0.934092 0.603074 0.324199 Se\n0.849082 0.506436 0.859748 Se\n0.901206 0.098200 0.063996 Se\n0.666607 0.844574 0.608490 Se\n0.731499 0.348634 0.071855 Se\n0.434092 0.396926 0.175801 Se\n0.663283 0.106542 0.946123 Se\n0.598794 0.098200 0.563996 Se\n0.650918 0.506436 0.359748 Se\n0.127104 0.515581 0.997813 Se\n0.349082 0.493564 0.640252 Se\n0.231499 0.651366 0.428145 Se\n0.166607 0.155426 0.891510 Se\n0.424208 0.900237 0.839990 Se\n0.075792 0.900237 0.339990 Se\n0.401206 0.901800 0.436004 Se\n0.287267 0.426397 0.804243 Se\n0.336717 0.893458 0.053877 Se\n0.150918 0.493564 0.140252 Se\n0.683828 0.989319 0.742269 Se\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se-Ta",
"density": 4.853781052485299,
"density_atomic": 0.03143614283344993,
"volume": 2290.3573247347545,
"volume_molar": 19.15674194479128,
"formula_full": "Rb12 Ta8 Ag4 Se48",
"formula_reduced": "Rb3Ta2AgSe12",
"formula_anonymous": "AB2C3D12",
"energy": -359.25320004,
"energy_per_atom": -4.989627778333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.59720004,
"band_gap": 1.425,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000877,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.481000Z",
"spacegroup": 14
},
{
"id": "mp-1273921",
"created_at": "2022-09-04T14:40:04.954378Z",
"structure_string": "Li4 Cr2 Ni2 O8\n1.0\n2.065558 4.692624 0.000005\n0.000018 -0.000002 5.762867\n5.123349 -0.196588 0.000017\nLi Cr Ni O\n4 2 2 8\ndirect\n0.499999 0.249953 0.000002 Li\n0.999998 0.750040 0.499993 Li\n0.499997 0.000003 0.499997 Li\n0.999999 0.499996 0.000000 Li\n0.000010 0.243243 0.499990 Cr\n0.500011 0.756807 0.999987 Cr\n0.500003 0.499992 0.500002 Ni\n0.000001 0.999987 0.000007 Ni\n0.771668 0.255075 0.267340 O\n0.267337 0.744920 0.771671 O\n0.228329 0.255083 0.732659 O\n0.732658 0.744918 0.228341 O\n0.243415 0.999998 0.243429 O\n0.724051 0.499995 0.724051 O\n0.756575 0.999996 0.756583 O\n0.275948 0.499995 0.275947 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.444955650087826,
"density_atomic": 0.11356324490507382,
"volume": 140.89065536454345,
"volume_molar": 5.302895989837062,
"formula_full": "Li4 Cr2 Ni2 O8",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
"energy": -108.7606169,
"energy_per_atom": -6.79753855625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.1846169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0005912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.979000Z",
"spacegroup": 21
},
{
"id": "mp-770192",
"created_at": "2022-09-04T14:40:04.996660Z",
"structure_string": "Li4 Cr2 O6\n1.0\n4.312338 2.577121 0.000000\n-4.312338 2.577121 0.000000\n0.000000 1.816349 4.657812\nLi Cr O\n4 2 6\ndirect\n0.753529 0.263070 0.491204 Li\n0.431977 0.596569 0.495693 Li\n0.596569 0.431977 0.995693 Li\n0.263070 0.753529 0.991204 Li\n0.091848 0.909841 0.503618 Cr\n0.909841 0.091848 0.003618 Cr\n0.710509 0.862079 0.752099 O\n0.862079 0.710509 0.252099 O\n0.011796 0.519504 0.730976 O\n0.296233 0.155444 0.724210 O\n0.519504 0.011796 0.230976 O\n0.155444 0.296233 0.224210 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.6530270377557503,
"density_atomic": 0.11591020974014801,
"volume": 103.52841244012986,
"volume_molar": 5.195522269781642,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy": -83.06039076,
"energy_per_atom": -6.921699230000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.94039076,
"band_gap": 0.2332,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.847000Z",
"spacegroup": 9
},
{
"id": "mp-757374",
"created_at": "2022-09-04T14:40:04.607200Z",
"structure_string": "Li1 Ti3 V1 P6 O24\n1.0\n7.645311 -4.301579 0.000000\n7.645311 4.301579 0.000000\n5.225059 0.000000 7.046498\nLi Ti V P O\n1 3 1 6 24\ndirect\n0.001324 0.001324 0.001324 Li\n0.144694 0.144694 0.144694 Ti\n0.360852 0.360852 0.360852 Ti\n0.638978 0.638978 0.638978 Ti\n0.855206 0.855206 0.855206 V\n0.750747 0.032542 0.463142 P\n0.032542 0.463142 0.750747 P\n0.463142 0.750747 0.032542 P\n0.538762 0.246465 0.966808 P\n0.966808 0.538762 0.246465 P\n0.246465 0.966808 0.538762 P\n0.273734 0.139523 0.510089 O\n0.510089 0.273734 0.139523 O\n0.923226 0.059007 0.279859 O\n0.139523 0.510089 0.273734 O\n0.577019 0.213295 0.445175 O\n0.789196 0.997013 0.637402 O\n0.059007 0.279859 0.923226 O\n0.213295 0.445175 0.577019 O\n0.445175 0.577019 0.213295 O\n0.368909 0.211361 0.996688 O\n0.724598 0.071148 0.937250 O\n0.996688 0.368909 0.211361 O\n0.997013 0.637402 0.789196 O\n0.279859 0.923226 0.059007 O\n0.637402 0.789196 0.997013 O\n0.566214 0.417592 0.784963 O\n0.784963 0.566214 0.417592 O\n0.937250 0.724598 0.071148 O\n0.211361 0.996688 0.368909 O\n0.417592 0.784963 0.566214 O\n0.860813 0.496859 0.719547 O\n0.071148 0.937250 0.724598 O\n0.496859 0.719547 0.860813 O\n0.719547 0.860813 0.496859 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti-V",
"density": 2.763456370981318,
"density_atomic": 0.07551646566515045,
"volume": 463.47508045721344,
"volume_molar": 7.97460620933047,
"formula_full": "Li1 Ti3 V1 P6 O24",
"formula_reduced": "LiTi3V(PO4)6",
"formula_anonymous": "ABC3D6E24",
"energy": -286.86927295999993,
"energy_per_atom": -8.196264941714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.68127296,
"band_gap": 1.2412999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.683000Z",
"spacegroup": 146
},
{
"id": "mp-760650",
"created_at": "2022-09-04T14:40:04.626255Z",
"structure_string": "Li6 Bi2 P4 O16\n1.0\n2.377749 4.629322 0.000000\n-2.377749 4.629322 0.000000\n0.000000 1.944595 15.018847\nLi Bi P O\n6 2 4 16\ndirect\n0.353712 0.293869 0.179674 Li\n0.293869 0.353712 0.679674 Li\n0.706131 0.646288 0.320326 Li\n0.646288 0.706131 0.820326 Li\n0.049153 0.950847 0.250000 Li\n0.950847 0.049153 0.750000 Li\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.376154 0.311586 0.374043 P\n0.311586 0.376154 0.874043 P\n0.688414 0.623846 0.125957 P\n0.623846 0.688414 0.625957 P\n0.726073 0.212485 0.352324 O\n0.212485 0.726073 0.852324 O\n0.253292 0.493265 0.459263 O\n0.493265 0.253292 0.959263 O\n0.165295 0.511151 0.294829 O\n0.994685 0.615943 0.107212 O\n0.511151 0.165295 0.794829 O\n0.615943 0.994685 0.607212 O\n0.384057 0.005315 0.392788 O\n0.488849 0.834705 0.205171 O\n0.005315 0.384057 0.892788 O\n0.834705 0.488849 0.705171 O\n0.506735 0.746708 0.040737 O\n0.746708 0.506735 0.540737 O\n0.787515 0.273927 0.147676 O\n0.273927 0.787515 0.647676 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Li-O-P",
"density": 4.216147550759737,
"density_atomic": 0.08468530285732949,
"volume": 330.6358843301534,
"volume_molar": 7.111199413368793,
"formula_full": "Li6 Bi2 P4 O16",
"formula_reduced": "Li3Bi(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -191.35837529,
"energy_per_atom": -6.834227688928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.36637529,
"band_gap": 3.1798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.203000Z",
"spacegroup": 15
}
]
}