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=-is_theoretical&page=10",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=8",
"results": [
{
"id": "mp-1217530",
"created_at": "2022-09-04T14:40:39.421377Z",
"structure_string": "Tb2 Ga2 Au2\n1.0\n2.266275 5.253285 0.000000\n-2.266275 5.253285 0.000000\n0.000000 4.779295 5.354604\nTb Ga Au\n2 2 2\ndirect\n0.536689 0.536689 0.703057 Tb\n0.463311 0.463311 0.296943 Tb\n0.841812 0.841812 0.107075 Ga\n0.158188 0.158188 0.892925 Ga\n0.177780 0.177780 0.282385 Au\n0.822220 0.822220 0.717615 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Tb",
"density": 11.086514044924796,
"density_atomic": 0.04705982696484835,
"volume": 127.49728137508325,
"volume_molar": 12.796776249301294,
"formula_full": "Tb2 Ga2 Au2",
"formula_reduced": "TbGaAu",
"formula_anonymous": "ABC",
"energy": -26.61807272,
"energy_per_atom": -4.436345453333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.61807272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.693000Z",
"spacegroup": 12
},
{
"id": "mp-773502",
"created_at": "2022-09-04T14:40:39.427541Z",
"structure_string": "K2 Co2 P2 C2 O14\n1.0\n6.083593 0.000000 0.000000\n0.000000 5.281263 0.000000\n0.000000 0.298628 9.920724\nK Co P C O\n2 2 2 2 14\ndirect\n0.597420 0.755414 0.762277 K\n0.097420 0.244586 0.237723 K\n0.229422 0.225709 0.650357 Co\n0.729422 0.774291 0.349643 Co\n0.734568 0.278908 0.556459 P\n0.234568 0.721092 0.443541 P\n0.251075 0.280240 0.885964 C\n0.751075 0.719760 0.114036 C\n0.778457 0.687788 0.993306 O\n0.241387 0.060811 0.826186 O\n0.231976 0.463608 0.792040 O\n0.925025 0.223964 0.660184 O\n0.539561 0.230771 0.657481 O\n0.238159 0.892296 0.564300 O\n0.735100 0.562988 0.513499 O\n0.235100 0.437012 0.486501 O\n0.738159 0.107704 0.435700 O\n0.039561 0.769229 0.342519 O\n0.425025 0.776036 0.339816 O\n0.731976 0.536392 0.207960 O\n0.741387 0.939189 0.173814 O\n0.278457 0.312212 0.006694 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-K-O-P",
"density": 2.636200762628632,
"density_atomic": 0.06902101895850139,
"volume": 318.74348324569667,
"volume_molar": 8.725082374719486,
"formula_full": "K2 Co2 P2 C2 O14",
"formula_reduced": "KCoPCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.32830622,
"energy_per_atom": -7.196741191818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.43430622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.507000Z",
"spacegroup": 4
},
{
"id": "mp-1197992",
"created_at": "2022-09-04T14:40:38.446962Z",
"structure_string": "Na12 P4 O48\n1.0\n-0.867863 -0.025264 6.319096\n11.373443 -0.334790 -3.439919\n-0.980557 15.809075 -1.726560\nNa P O\n12 4 48\ndirect\n0.191651 0.435014 0.958793 Na\n0.808349 0.564986 0.041207 Na\n0.463013 0.677410 0.256486 Na\n0.536987 0.322590 0.743514 Na\n0.486478 0.372630 0.415632 Na\n0.513522 0.627370 0.584368 Na\n0.499098 0.895904 0.775619 Na\n0.500902 0.104096 0.224381 Na\n0.784713 0.121455 0.449104 Na\n0.215287 0.878545 0.550896 Na\n0.367976 0.846958 0.039495 Na\n0.632024 0.153042 0.960505 Na\n0.969703 0.169053 0.820691 P\n0.030297 0.830947 0.179309 P\n0.899065 0.312746 0.337270 P\n0.100935 0.687254 0.662730 P\n0.947920 0.259715 0.887357 O\n0.052080 0.740285 0.112643 O\n0.199736 0.209412 0.787736 O\n0.800264 0.790588 0.212264 O\n0.004217 0.056893 0.888225 O\n0.995783 0.943107 0.111775 O\n0.748045 0.095242 0.760518 O\n0.251955 0.904758 0.239482 O\n0.979183 0.459112 0.352332 O\n0.020817 0.540888 0.647668 O\n0.662585 0.245648 0.371847 O\n0.337415 0.754352 0.628153 O\n0.863125 0.269421 0.242045 O\n0.136875 0.730579 0.757955 O\n0.083810 0.277772 0.387133 O\n0.916190 0.722228 0.612867 O\n0.203148 0.280175 0.605298 O\n0.796852 0.719825 0.394702 O\n0.827166 0.989645 0.928260 O\n0.172834 0.010355 0.071740 O\n0.000242 0.435476 0.152126 O\n0.999758 0.564524 0.847874 O\n0.540170 0.138449 0.558385 O\n0.459830 0.861551 0.441615 O\n0.782746 0.526691 0.535414 O\n0.217254 0.473309 0.464586 O\n0.077838 0.993932 0.656926 O\n0.922162 0.006068 0.343074 O\n0.645690 0.720553 0.927900 O\n0.354310 0.279447 0.072100 O\n0.135973 0.188563 0.551041 O\n0.864027 0.811437 0.448959 O\n0.666328 0.236964 0.605420 O\n0.333672 0.763036 0.394580 O\n0.064604 0.604378 0.925207 O\n0.935396 0.395622 0.074793 O\n0.680413 0.730433 0.853167 O\n0.319587 0.269567 0.146833 O\n0.445409 0.946019 0.919505 O\n0.554591 0.053981 0.080495 O\n0.393809 0.635558 0.091771 O\n0.606191 0.364442 0.908229 O\n0.871114 0.968531 0.632499 O\n0.128886 0.031469 0.367501 O\n0.375051 0.536757 0.360453 O\n0.624949 0.463243 0.639547 O\n0.459614 0.546882 0.087039 O\n0.540386 0.453118 0.912961 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 1.7857867229119024,
"density_atomic": 0.0589403913802032,
"volume": 1085.8428066274466,
"volume_molar": 10.217340976162415,
"formula_full": "Na12 P4 O48",
"formula_reduced": "Na3PO12",
"formula_anonymous": "AB3C12",
"energy": -329.46840342,
"energy_per_atom": -5.1479438034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -321.74040342,
"band_gap": 0.0820999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 32.0000533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.001000Z",
"spacegroup": 2
},
{
"id": "mp-1037258",
"created_at": "2022-09-04T14:40:38.729866Z",
"structure_string": "Mg30 Co1 Sn1 O32\n1.0\n8.587329 0.000000 0.000000\n0.000000 8.587329 0.000000\n0.000000 0.000000 8.615420\nMg Co Sn O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245695 0.245695 0.000000 Mg\n0.245695 0.754305 0.000000 Mg\n0.754305 0.245695 0.000000 Mg\n0.754305 0.754305 0.000000 Mg\n0.249198 0.249198 0.500000 Mg\n0.249198 0.750802 0.500000 Mg\n0.750802 0.249198 0.500000 Mg\n0.750802 0.750802 0.500000 Mg\n0.000000 0.248214 0.250506 Mg\n0.000000 0.751786 0.250506 Mg\n0.500000 0.245293 0.254567 Mg\n0.500000 0.754707 0.254567 Mg\n0.000000 0.248214 0.749494 Mg\n0.000000 0.751786 0.749494 Mg\n0.500000 0.245293 0.745433 Mg\n0.500000 0.754707 0.745433 Mg\n0.248214 0.000000 0.250506 Mg\n0.245293 0.500000 0.254567 Mg\n0.751786 0.000000 0.250506 Mg\n0.754707 0.500000 0.254567 Mg\n0.248214 0.000000 0.749494 Mg\n0.245293 0.500000 0.745433 Mg\n0.751786 0.000000 0.749494 Mg\n0.754707 0.500000 0.745433 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.256947 O\n0.000000 0.500000 0.252949 O\n0.500000 0.000000 0.252949 O\n0.500000 0.500000 0.269868 O\n0.000000 0.000000 0.743053 O\n0.000000 0.500000 0.747051 O\n0.500000 0.000000 0.747051 O\n0.500000 0.500000 0.730132 O\n0.249981 0.249981 0.249304 O\n0.249981 0.750019 0.249304 O\n0.750019 0.249981 0.249304 O\n0.750019 0.750019 0.249304 O\n0.249981 0.249981 0.750696 O\n0.249981 0.750019 0.750696 O\n0.750019 0.249981 0.750696 O\n0.750019 0.750019 0.750696 O\n0.000000 0.247269 0.000000 O\n0.000000 0.752731 0.000000 O\n0.500000 0.229862 0.000000 O\n0.500000 0.770138 0.000000 O\n0.000000 0.249889 0.500000 O\n0.000000 0.750111 0.500000 O\n0.500000 0.246902 0.500000 O\n0.500000 0.753098 0.500000 O\n0.247269 0.000000 0.000000 O\n0.229862 0.500000 0.000000 O\n0.752731 0.000000 0.000000 O\n0.770138 0.500000 0.000000 O\n0.249889 0.000000 0.500000 O\n0.246902 0.500000 0.500000 O\n0.750111 0.000000 0.500000 O\n0.753098 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Mg-O-Sn",
"density": 3.7082555804287294,
"density_atomic": 0.100736606296152,
"volume": 635.320191468915,
"volume_molar": 5.978105657337434,
"formula_full": "Mg30 Co1 Sn1 O32",
"formula_reduced": "Mg30CoSnO32",
"formula_anonymous": "ABC30D32",
"energy": -402.16544321,
"energy_per_atom": -6.28383505015625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.54344321,
"band_gap": 0.0499,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9989519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.228000Z",
"spacegroup": 123
},
{
"id": "mp-761283",
"created_at": "2022-09-04T14:40:38.744039Z",
"structure_string": "Li5 V5 O9 F1\n1.0\n5.203931 0.000000 0.000000\n0.860899 5.192257 0.000000\n2.595797 2.226299 7.185532\nLi V O F\n5 5 9 1\ndirect\n0.514214 0.303701 0.911252 Li\n0.506482 0.877738 0.694247 Li\n0.509604 0.511752 0.482871 Li\n0.497517 0.099638 0.303851 Li\n0.493522 0.702170 0.103168 Li\n0.990675 0.620074 0.802393 V\n0.990125 0.200519 0.594886 V\n0.998470 0.794730 0.402318 V\n0.999038 0.394916 0.198222 V\n0.994013 0.991158 0.008014 V\n0.765579 0.975042 0.846327 O\n0.233914 0.655680 0.961302 O\n0.769811 0.543313 0.641606 O\n0.766539 0.148323 0.441541 O\n0.229051 0.866067 0.546684 O\n0.769205 0.741856 0.250907 O\n0.225309 0.441623 0.355719 O\n0.774736 0.336687 0.049443 O\n0.225959 0.040534 0.155191 O\n0.246239 0.254478 0.750059 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.8692816061317012,
"density_atomic": 0.10301094180083546,
"volume": 194.1541320791787,
"volume_molar": 5.846117562582228,
"formula_full": "Li5 V5 O9 F1",
"formula_reduced": "Li5V5O9F",
"formula_anonymous": "AB5C5D9",
"energy": -150.71526572000002,
"energy_per_atom": -7.535763286000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.57026572,
"band_gap": 0.6745999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0061231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.595000Z",
"spacegroup": 1
},
{
"id": "mp-1217747",
"created_at": "2022-09-04T14:40:38.748977Z",
"structure_string": "Tb2 Ti1 Cu1 O6\n1.0\n0.000032 -3.656548 0.000002\n-3.166679 -1.828247 0.000001\n-0.000001 0.000005 -11.345445\nTb Ti Cu O\n2 1 1 6\ndirect\n0.000007 0.000006 0.272150 Tb\n0.999996 0.999996 0.723743 Tb\n0.333332 0.333330 0.998358 Ti\n0.666648 0.666648 0.497906 Cu\n0.333340 0.333341 0.162155 O\n0.666659 0.666660 0.666649 O\n0.000000 0.000002 0.997960 O\n0.000015 0.000014 0.498040 O\n0.666670 0.666671 0.329520 O\n0.333332 0.333332 0.833518 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tb-Ti",
"density": 6.639333122685432,
"density_atomic": 0.07612038041945181,
"volume": 131.3708621120422,
"volume_molar": 7.911338234012692,
"formula_full": "Tb2 Ti1 Cu1 O6",
"formula_reduced": "Tb2TiCuO6",
"formula_anonymous": "ABC2D6",
"energy": -82.0366165,
"energy_per_atom": -8.203661649999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.9146165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.030846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.240000Z",
"spacegroup": 187
},
{
"id": "mp-1420476",
"created_at": "2022-09-04T14:40:38.719844Z",
"structure_string": "U2 Br10\n1.0\n7.404878 0.000000 0.000000\n-3.549141 7.202390 0.000000\n-0.154118 -4.131763 10.028050\nU Br\n2 10\ndirect\n0.890050 0.995845 0.210839 U\n0.109950 0.004155 0.789161 U\n0.514095 0.763246 0.422281 Br\n0.485905 0.236754 0.577719 Br\n0.274344 0.217595 0.959002 Br\n0.725656 0.782405 0.040998 Br\n0.261889 0.777524 0.843371 Br\n0.738111 0.222476 0.156629 Br\n0.951681 0.232446 0.751560 Br\n0.048319 0.767554 0.248440 Br\n0.903113 0.773487 0.668270 Br\n0.096887 0.226513 0.331730 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Br"
],
"chemical_system": "Br-U",
"density": 3.9589641424095183,
"density_atomic": 0.02243728030618567,
"volume": 534.8241781643987,
"volume_molar": 26.839887356311063,
"formula_full": "U2 Br10",
"formula_reduced": "UBr5",
"formula_anonymous": "AB5",
"energy": -17.61940418,
"energy_per_atom": -1.4682836816666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.27940418,
"band_gap": 0.1955,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.840000Z",
"spacegroup": 2
},
{
"id": "mp-974581",
"created_at": "2022-09-04T14:40:38.499600Z",
"structure_string": "Re1 Bi1 O3\n1.0\n4.023439 0.000000 0.000000\n0.000000 4.023439 0.000000\n0.000000 0.000000 4.023439\nRe Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Re",
"Bi",
"O"
],
"chemical_system": "Bi-O-Re",
"density": 11.299064151299625,
"density_atomic": 0.0767675605873826,
"volume": 65.13167751772735,
"volume_molar": 7.844642598933631,
"formula_full": "Re1 Bi1 O3",
"formula_reduced": "ReBiO3",
"formula_anonymous": "ABC3",
"energy": -37.23590452,
"energy_per_atom": -7.447180904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.17490452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0322649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.255000Z",
"spacegroup": 221
},
{
"id": "mp-1213741",
"created_at": "2022-09-04T14:40:38.815580Z",
"structure_string": "Cr1 N3 O8\n1.0\n-3.330540 3.330540 4.010896\n3.330540 -3.330540 4.010896\n3.330540 3.330540 -4.010896\nCr N O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.204051 0.204051 0.416288 O\n0.787763 0.787763 0.583712 O\n0.795949 0.212237 0.000000 O\n0.212237 0.795949 0.000000 O\n0.323949 0.323949 0.336902 O\n0.987047 0.987047 0.663098 O\n0.676051 0.012953 0.000000 O\n0.012953 0.676051 0.000000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O",
"density": 2.0715416645955487,
"density_atomic": 0.06742959414900444,
"volume": 177.96340244140669,
"volume_molar": 8.931005496922321,
"formula_full": "Cr1 N3 O8",
"formula_reduced": "CrN3O8",
"formula_anonymous": "AB3C8",
"energy": -61.98408063000001,
"energy_per_atom": -5.1653400525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.69708063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.157000Z",
"spacegroup": 121
},
{
"id": "mp-1043995",
"created_at": "2022-09-04T14:40:38.463722Z",
"structure_string": "La2 Fe2 Sb2 O12\n1.0\n5.620678 0.000000 0.000000\n0.000000 5.600153 0.000000\n0.000000 5.583557 7.892505\nLa Fe Sb O\n2 2 2 12\ndirect\n0.212632 0.741381 0.249982 La\n0.787368 0.741381 0.749982 La\n0.736200 0.001064 0.997206 Fe\n0.263800 0.001064 0.497206 Fe\n0.737787 0.494004 0.502773 Sb\n0.262213 0.494004 0.002773 Sb\n0.232206 0.792637 0.751525 O\n0.020086 0.260126 0.973989 O\n0.011887 0.705259 0.525121 O\n0.988113 0.705259 0.025121 O\n0.979914 0.260126 0.473989 O\n0.767794 0.792637 0.251525 O\n0.744448 0.172755 0.749156 O\n0.536776 0.745270 0.539272 O\n0.539032 0.326918 0.961163 O\n0.460968 0.326918 0.461163 O\n0.463224 0.745270 0.039272 O\n0.255552 0.172755 0.249156 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"La",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-La-O-Sb",
"density": 5.5145085562366525,
"density_atomic": 0.07245511349525421,
"volume": 248.4296708910544,
"volume_molar": 8.31154692814669,
"formula_full": "La2 Fe2 Sb2 O12",
"formula_reduced": "LaFeSbO6",
"formula_anonymous": "ABCD6",
"energy": -133.82431269,
"energy_per_atom": -7.434684038333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.06831269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.929000Z",
"spacegroup": 7
},
{
"id": "mp-1400283",
"created_at": "2022-09-04T14:40:38.570145Z",
"structure_string": "Mg8 Si6\n1.0\n6.312750 0.000000 0.000000\n-0.952608 7.019309 0.000000\n-1.978519 -3.548901 6.432033\nMg Si\n8 6\ndirect\n0.782984 0.382488 0.458832 Mg\n0.916525 0.154756 0.154044 Mg\n0.030708 0.582434 0.786305 Mg\n0.571043 0.907079 0.458061 Mg\n0.267048 0.190818 0.540993 Mg\n0.225933 0.682789 0.173647 Mg\n0.563685 0.602523 0.943612 Mg\n0.333017 0.152007 0.948669 Mg\n0.688637 0.805971 0.198366 Si\n0.629688 0.403536 0.738670 Si\n0.674362 0.020279 0.845203 Si\n0.337240 0.308763 0.193942 Si\n0.253957 0.589332 0.555067 Si\n0.975167 0.967076 0.754650 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.11464890738741,
"density_atomic": 0.049120957081868026,
"volume": 285.01073333458737,
"volume_molar": 12.259819673226495,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -19.10039602,
"energy_per_atom": -1.3643140014285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.52639602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.697000Z",
"spacegroup": 1
},
{
"id": "mp-705288",
"created_at": "2022-09-04T14:40:38.962665Z",
"structure_string": "La5 Mn7 Co1 Pb3 O24\n1.0\n5.514344 0.000000 0.000000\n-0.103960 7.954163 0.000000\n-0.001267 -0.012199 11.124556\nLa Mn Co Pb O\n5 7 1 3 24\ndirect\n0.500614 0.248073 0.000986 La\n0.001770 0.247722 0.250017 La\n0.000406 0.750231 0.750215 La\n0.501320 0.247480 0.499938 La\n0.997677 0.754095 0.247842 La\n0.001728 0.999489 0.000278 Mn\n0.500065 0.000100 0.750232 Mn\n0.499932 0.499828 0.750025 Mn\n0.999982 0.501066 0.500053 Mn\n0.998976 0.001263 0.499467 Mn\n0.499132 0.499713 0.250099 Mn\n0.001053 0.499551 0.999997 Mn\n0.500098 0.999543 0.249908 Co\n0.999454 0.251173 0.749320 Pb\n0.500022 0.750642 0.498774 Pb\n0.501671 0.749666 0.000444 Pb\n0.280824 0.471388 0.891764 O\n0.999408 0.751279 0.973980 O\n0.780522 0.969045 0.640263 O\n0.774819 0.479359 0.864302 O\n0.718516 0.029616 0.890109 O\n0.499347 0.751008 0.773419 O\n0.501505 0.249198 0.720910 O\n0.275524 0.459128 0.386619 O\n0.276015 0.976595 0.612898 O\n0.218573 0.531406 0.638423 O\n0.225783 0.023207 0.862141 O\n0.998388 0.249401 0.520004 O\n0.999389 0.751586 0.467451 O\n0.787367 0.981667 0.140261 O\n0.777840 0.467289 0.360155 O\n0.733062 0.036534 0.387317 O\n0.726079 0.523278 0.612079 O\n0.501954 0.741152 0.271485 O\n0.498008 0.256351 0.220757 O\n0.262830 0.985913 0.114924 O\n0.210674 0.519394 0.146716 O\n0.221265 0.031682 0.364427 O\n0.000782 0.249249 0.027002 O\n0.727628 0.515641 0.114999 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"La",
"Mn",
"Co",
"Pb",
"O"
],
"chemical_system": "Co-La-Mn-O-Pb",
"density": 7.294983972814209,
"density_atomic": 0.08197642281182288,
"volume": 487.9451753075408,
"volume_molar": 7.346186322162217,
"formula_full": "La5 Mn7 Co1 Pb3 O24",
"formula_reduced": "La5Mn7Co(PbO8)3",
"formula_anonymous": "AB3C5D7E24",
"energy": -324.17388630000005,
"energy_per_atom": -8.104347157500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.3718863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.9973938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.263000Z",
"spacegroup": 1
}
]
}