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=density&page=11550",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=11548",
"results": [
{
"id": "mp-1183261",
"created_at": "2022-09-04T14:44:10.634511Z",
"structure_string": "Ag6 Ru2\n1.0\n2.908733 -5.038073 0.000000\n2.908733 5.038073 0.000000\n0.000000 0.000000 4.701229\nAg Ru\n6 2\ndirect\n0.168351 0.336702 0.250000 Ag\n0.663298 0.831649 0.250000 Ag\n0.168351 0.831649 0.250000 Ag\n0.831649 0.663298 0.750000 Ag\n0.336702 0.168351 0.750000 Ag\n0.831649 0.168351 0.750000 Ag\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Ru"
],
"chemical_system": "Ag-Ru",
"density": 10.235891254320787,
"density_atomic": 0.058060433055214404,
"volume": 137.7874669379773,
"volume_molar": 10.372194010804321,
"formula_full": "Ag6 Ru2",
"formula_reduced": "Ag3Ru",
"formula_anonymous": "AB3",
"energy": -31.34866767,
"energy_per_atom": -3.91858345875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.34866767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3120908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.817000Z",
"spacegroup": 194
},
{
"id": "mp-1223224",
"created_at": "2022-09-04T14:39:20.214839Z",
"structure_string": "La1 Si2 Pt2\n1.0\n-2.172379 2.172379 5.029127\n2.172379 -2.172379 5.029127\n2.172379 2.172379 -5.029127\nLa Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.637369 0.637369 0.000000 Pt\n0.362631 0.362631 0.000000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Si",
"Pt"
],
"chemical_system": "La-Pt-Si",
"density": 10.236762562450581,
"density_atomic": 0.052667926190810184,
"volume": 94.93443850220231,
"volume_molar": 11.434171032636518,
"formula_full": "La1 Si2 Pt2",
"formula_reduced": "La(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -33.080409419999995,
"energy_per_atom": -6.616081883999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.22240942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.486000Z",
"spacegroup": 139
},
{
"id": "mp-867249",
"created_at": "2022-09-04T14:46:11.141233Z",
"structure_string": "Ta1 Al1 Fe2\n1.0\n0.000000 2.959489 2.959489\n2.959489 0.000000 2.959489\n2.959489 2.959489 0.000000\nTa Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ta",
"density": 10.23769221143911,
"density_atomic": 0.07715779453726583,
"volume": 51.84181357164209,
"volume_molar": 7.804967464552675,
"formula_full": "Ta1 Al1 Fe2",
"formula_reduced": "TaAlFe2",
"formula_anonymous": "ABC2",
"energy": -34.35389968,
"energy_per_atom": -8.58847492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.35389968,
"band_gap": 0.3242000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.247000Z",
"spacegroup": 225
},
{
"id": "mp-618309",
"created_at": "2022-09-04T14:45:28.033990Z",
"structure_string": "Bi8 Au4 O20\n1.0\n8.757782 0.000000 0.000000\n0.000000 8.757782 0.000000\n0.000000 0.000000 5.878149\nBi Au O\n8 4 20\ndirect\n0.352429 0.647571 0.250000 Bi\n0.852429 0.147571 0.750000 Bi\n0.647571 0.647571 0.750000 Bi\n0.647571 0.352429 0.250000 Bi\n0.852429 0.852429 0.250000 Bi\n0.147571 0.852429 0.750000 Bi\n0.352429 0.352429 0.750000 Bi\n0.147571 0.147571 0.250000 Bi\n0.500000 0.000000 0.406430 Au\n0.500000 0.000000 0.906430 Au\n0.000000 0.500000 0.093570 Au\n0.000000 0.500000 0.593570 Au\n0.080091 0.284962 0.607474 O\n0.919909 0.284962 0.107474 O\n0.919909 0.715038 0.607474 O\n0.715038 0.919909 0.892526 O\n0.215038 0.580091 0.607474 O\n0.419909 0.784962 0.892526 O\n0.419909 0.215038 0.392526 O\n0.784962 0.580091 0.107474 O\n0.284962 0.919909 0.392526 O\n0.580091 0.215038 0.892526 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.784962 0.419909 0.607474 O\n0.080091 0.715038 0.107474 O\n0.284962 0.080091 0.892526 O\n0.580091 0.784962 0.392526 O\n0.215038 0.419909 0.107474 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.715038 0.080091 0.392526 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Bi",
"Au",
"O"
],
"chemical_system": "Au-Bi-O",
"density": 10.23806255637827,
"density_atomic": 0.07097757004460674,
"volume": 450.8466545119705,
"volume_molar": 8.484568795769299,
"formula_full": "Bi8 Au4 O20",
"formula_reduced": "Bi2AuO5",
"formula_anonymous": "AB2C5",
"energy": -183.12376024,
"energy_per_atom": -5.7226175075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.38376024,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.790000Z",
"spacegroup": 130
},
{
"id": "mp-568335",
"created_at": "2022-09-04T14:48:23.924598Z",
"structure_string": "Cs6 Hg81\n1.0\n-8.841352 8.841352 8.841352\n8.841352 -8.841352 8.841352\n8.841352 8.841352 -8.841352\nCs Hg\n6 81\ndirect\n0.304143 0.804143 0.500000 Cs\n0.500000 0.304143 0.804143 Cs\n0.195857 0.500000 0.695857 Cs\n0.804143 0.500000 0.304143 Cs\n0.695857 0.195857 0.500000 Cs\n0.500000 0.695857 0.195857 Cs\n0.587778 0.905783 0.493560 Hg\n0.725382 0.734220 0.459602 Hg\n0.493560 0.587778 0.905783 Hg\n0.265780 0.991162 0.725382 Hg\n0.412222 0.905783 0.318005 Hg\n0.167197 0.894887 0.062084 Hg\n0.105113 0.272310 0.167197 Hg\n0.274618 0.265780 0.540398 Hg\n0.384940 0.100235 0.284705 Hg\n0.274618 0.734220 0.008838 Hg\n0.105113 0.937916 0.832803 Hg\n0.175829 0.495583 0.967324 Hg\n0.680246 0.471741 0.504417 Hg\n0.824171 0.791495 0.319754 Hg\n0.175829 0.208505 0.680246 Hg\n0.032676 0.824171 0.504417 Hg\n0.000000 0.649557 0.000000 Hg\n0.318005 0.412222 0.905783 Hg\n0.284705 0.384940 0.100235 Hg\n0.319754 0.528259 0.495583 Hg\n0.506440 0.412222 0.094217 Hg\n0.991162 0.725382 0.265780 Hg\n0.967324 0.175829 0.495583 Hg\n0.350443 0.000000 0.000000 Hg\n0.905783 0.493560 0.587778 Hg\n0.540398 0.274618 0.265780 Hg\n0.680246 0.175829 0.208505 Hg\n0.649557 0.000000 0.000000 Hg\n0.459602 0.725382 0.734220 Hg\n0.208505 0.032676 0.528259 Hg\n0.734220 0.008838 0.274618 Hg\n0.815531 0.100235 0.715295 Hg\n0.471741 0.791495 0.967324 Hg\n0.649557 0.649557 0.649557 Hg\n0.100235 0.284705 0.384940 Hg\n0.000000 0.000000 0.350443 Hg\n0.937916 0.832803 0.105113 Hg\n0.587778 0.094217 0.681995 Hg\n0.094217 0.506440 0.412222 Hg\n0.319754 0.824171 0.791495 Hg\n0.008838 0.274618 0.734220 Hg\n0.062084 0.167197 0.894887 Hg\n0.791495 0.967324 0.471741 Hg\n0.094217 0.681995 0.587778 Hg\n0.734220 0.459602 0.725382 Hg\n0.894887 0.062084 0.167197 Hg\n0.032676 0.528259 0.208505 Hg\n0.967324 0.471741 0.791495 Hg\n0.832803 0.894887 0.727690 Hg\n0.727690 0.832803 0.894887 Hg\n0.495583 0.319754 0.528259 Hg\n0.350443 0.350443 0.350443 Hg\n0.184469 0.899765 0.284705 Hg\n0.899765 0.715295 0.615060 Hg\n0.100235 0.715295 0.815531 Hg\n0.000000 0.000000 0.649557 Hg\n0.715295 0.615060 0.899765 Hg\n0.832803 0.105113 0.937916 Hg\n0.894887 0.727690 0.832803 Hg\n0.471741 0.504417 0.680246 Hg\n0.504417 0.032676 0.824171 Hg\n0.412222 0.094217 0.506440 Hg\n0.528259 0.495583 0.319754 Hg\n0.725382 0.265780 0.991162 Hg\n0.791495 0.319754 0.824171 Hg\n0.824171 0.504417 0.032676 Hg\n0.000000 0.350443 0.000000 Hg\n0.615060 0.899765 0.715295 Hg\n0.284705 0.184469 0.899765 Hg\n0.681995 0.587778 0.094217 Hg\n0.504417 0.680246 0.471741 Hg\n0.528259 0.208505 0.032676 Hg\n0.495583 0.967324 0.175829 Hg\n0.000000 0.000000 0.000000 Hg\n0.272310 0.167197 0.105113 Hg\n0.905783 0.318005 0.412222 Hg\n0.208505 0.680246 0.175829 Hg\n0.265780 0.540398 0.274618 Hg\n0.899765 0.284705 0.184469 Hg\n0.715295 0.815531 0.100235 Hg\n0.167197 0.105113 0.272310 Hg\n",
"nsites": 87,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 10.238486025653664,
"density_atomic": 0.03147046912821459,
"volume": 2764.496444128342,
"volume_molar": 19.135846801218793,
"formula_full": "Cs6 Hg81",
"formula_reduced": "Cs2Hg27",
"formula_anonymous": "A2B27",
"energy": -38.04247484,
"energy_per_atom": -0.4372698257471264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.04247484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7164073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:57.075000Z",
"spacegroup": 204
},
{
"id": "mp-1106407",
"created_at": "2022-09-04T14:45:39.164124Z",
"structure_string": "Hf3 Co9 B6\n1.0\n3.868478 -4.186604 0.000000\n3.868478 4.186604 0.000000\n-0.662414 0.000000 5.661623\nHf Co B\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.670467 0.670467 0.670467 Hf\n0.329533 0.329533 0.329533 Hf\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.694623 0.196805 0.694623 Co\n0.694623 0.694623 0.196805 Co\n0.196805 0.694623 0.694623 Co\n0.305377 0.803195 0.305377 Co\n0.305377 0.305377 0.803195 Co\n0.803195 0.305377 0.305377 Co\n0.377929 0.000000 0.622071 B\n0.622071 0.377929 0.000000 B\n0.000000 0.622071 0.377929 B\n0.622071 0.000000 0.377929 B\n0.377929 0.622071 0.000000 B\n0.000000 0.377929 0.622071 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Co",
"B"
],
"chemical_system": "B-Co-Hf",
"density": 10.238512871849236,
"density_atomic": 0.0981520889711929,
"volume": 183.38886302545126,
"volume_molar": 6.135519705309039,
"formula_full": "Hf3 Co9 B6",
"formula_reduced": "HfCo3B2",
"formula_anonymous": "AB2C3",
"energy": -144.69095514,
"energy_per_atom": -8.038386396666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.69095514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0523284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.983000Z",
"spacegroup": 166
},
{
"id": "mp-680654",
"created_at": "2022-09-04T14:40:28.291177Z",
"structure_string": "Sr6 Rh8 Pb26\n1.0\n10.299189 0.000000 0.000000\n0.000000 10.299189 0.000000\n0.000000 0.000000 10.299189\nSr Rh Pb\n6 8 26\ndirect\n0.500000 0.000000 0.250000 Sr\n0.000000 0.250000 0.500000 Sr\n0.500000 0.000000 0.750000 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.750000 0.500000 Sr\n0.250000 0.250000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.302780 0.155348 0.000000 Pb\n0.697220 0.844652 0.000000 Pb\n0.344652 0.802780 0.500000 Pb\n0.197220 0.500000 0.344652 Pb\n0.802780 0.500000 0.655348 Pb\n0.500000 0.344652 0.802780 Pb\n0.302780 0.844652 0.000000 Pb\n0.000000 0.302780 0.155348 Pb\n0.000000 0.697220 0.155348 Pb\n0.844652 0.000000 0.697220 Pb\n0.155348 0.000000 0.697220 Pb\n0.697220 0.155348 0.000000 Pb\n0.344652 0.197220 0.500000 Pb\n0.500000 0.655348 0.197220 Pb\n0.500000 0.344652 0.197220 Pb\n0.500000 0.655348 0.802780 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.697220 0.844652 Pb\n0.844652 0.000000 0.302780 Pb\n0.155348 0.000000 0.302780 Pb\n0.197220 0.500000 0.655348 Pb\n0.000000 0.302780 0.844652 Pb\n0.655348 0.197220 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.802780 0.500000 0.344652 Pb\n0.655348 0.802780 0.500000 Pb\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh-Sr",
"density": 10.238885012372501,
"density_atomic": 0.0366143144919096,
"volume": 1092.4689033530456,
"volume_molar": 16.44750377978719,
"formula_full": "Sr6 Rh8 Pb26",
"formula_reduced": "Sr3Rh4Pb13",
"formula_anonymous": "A3B4C13",
"energy": -177.06875834,
"energy_per_atom": -4.4267189584999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.06875834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179714,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.272000Z",
"spacegroup": 223
},
{
"id": "mp-1214111",
"created_at": "2022-09-04T14:39:47.232950Z",
"structure_string": "Ce8 In1 Pd24\n1.0\n8.502285 0.000000 0.000000\n0.000000 8.502285 0.000000\n0.000000 0.000000 8.502285\nCe In Pd\n8 1 24\ndirect\n0.249282 0.249282 0.249282 Ce\n0.750718 0.750718 0.750718 Ce\n0.750718 0.750718 0.249282 Ce\n0.750718 0.249282 0.750718 Ce\n0.249282 0.249282 0.750718 Ce\n0.249282 0.750718 0.249282 Ce\n0.249282 0.750718 0.750718 Ce\n0.750718 0.249282 0.249282 Ce\n0.000000 0.000000 0.000000 In\n0.266281 0.500000 0.000000 Pd\n0.733719 0.500000 0.000000 Pd\n0.000000 0.266281 0.500000 Pd\n0.500000 0.266281 0.000000 Pd\n0.000000 0.733719 0.500000 Pd\n0.500000 0.733719 0.000000 Pd\n0.500000 0.000000 0.266281 Pd\n0.266281 0.000000 0.500000 Pd\n0.500000 0.000000 0.733719 Pd\n0.733719 0.000000 0.500000 Pd\n0.000000 0.500000 0.266281 Pd\n0.000000 0.500000 0.733719 Pd\n0.255264 0.500000 0.500000 Pd\n0.744736 0.500000 0.500000 Pd\n0.500000 0.255264 0.500000 Pd\n0.500000 0.744736 0.500000 Pd\n0.500000 0.500000 0.255264 Pd\n0.500000 0.500000 0.744736 Pd\n0.313609 0.000000 0.000000 Pd\n0.686391 0.000000 0.000000 Pd\n0.000000 0.313609 0.000000 Pd\n0.000000 0.686391 0.000000 Pd\n0.000000 0.000000 0.313609 Pd\n0.000000 0.000000 0.686391 Pd\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Ce",
"In",
"Pd"
],
"chemical_system": "Ce-In-Pd",
"density": 10.239090759002218,
"density_atomic": 0.05369167640605053,
"volume": 614.620406903168,
"volume_molar": 11.21615334648289,
"formula_full": "Ce8 In1 Pd24",
"formula_reduced": "Ce8InPd24",
"formula_anonymous": "AB8C24",
"energy": -200.52642266,
"energy_per_atom": -6.076558262424243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.52642266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9968992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.696000Z",
"spacegroup": 221
},
{
"id": "mp-12889",
"created_at": "2022-09-04T14:46:56.612768Z",
"structure_string": "Zr2 U6 Sb10\n1.0\n4.623415 -8.007990 0.000000\n4.623415 8.007990 0.000000\n0.000000 0.000000 6.194083\nZr U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.387167 0.000000 0.750000 U\n0.387167 0.387167 0.250000 U\n0.000000 0.612833 0.250000 U\n0.000000 0.387167 0.750000 U\n0.612833 0.612833 0.750000 U\n0.612833 0.000000 0.250000 U\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Sb\n0.728129 0.000000 0.750000 Sb\n0.728129 0.728129 0.250000 Sb\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.000000 Sb\n0.271871 0.000000 0.250000 Sb\n0.271871 0.271871 0.750000 Sb\n0.000000 0.728129 0.750000 Sb\n0.000000 0.271871 0.250000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"U",
"Sb"
],
"chemical_system": "Sb-U-Zr",
"density": 10.239272348866184,
"density_atomic": 0.039244526097006176,
"volume": 458.66269235884994,
"volume_molar": 15.345173859697615,
"formula_full": "Zr2 U6 Sb10",
"formula_reduced": "ZrU3Sb5",
"formula_anonymous": "AB3C5",
"energy": -135.88534095999998,
"energy_per_atom": -7.549185608888887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.96534096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.3949062,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.664000Z",
"spacegroup": 193
},
{
"id": "mp-22712",
"created_at": "2022-09-04T14:39:39.794289Z",
"structure_string": "Y1 Pd2 Pb1\n1.0\n0.000000 3.455651 3.455651\n3.455651 0.000000 3.455651\n3.455651 3.455651 0.000000\nY Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Y",
"density": 10.24002588757282,
"density_atomic": 0.04846635633422944,
"volume": 82.53147755559652,
"volume_molar": 12.425404374264575,
"formula_full": "Y1 Pd2 Pb1",
"formula_reduced": "YPd2Pb",
"formula_anonymous": "ABC2",
"energy": -23.34044176,
"energy_per_atom": -5.83511044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.34044176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.914000Z",
"spacegroup": 225
},
{
"id": "mp-1187745",
"created_at": "2022-09-04T14:44:53.202432Z",
"structure_string": "U1 Hg1 O3\n1.0\n4.289145 0.000000 0.000000\n0.000000 4.289145 0.000000\n0.000000 0.000000 4.289145\nU Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Hg",
"O"
],
"chemical_system": "Hg-O-U",
"density": 10.240573700867028,
"density_atomic": 0.06336622268695738,
"volume": 78.90639189116675,
"volume_molar": 9.503707976646574,
"formula_full": "U1 Hg1 O3",
"formula_reduced": "UHgO3",
"formula_anonymous": "ABC3",
"energy": -39.66570288,
"energy_per_atom": -7.9331405759999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.60470288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0345561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.769000Z",
"spacegroup": 221
},
{
"id": "mp-1184578",
"created_at": "2022-09-04T14:47:22.550317Z",
"structure_string": "Ho3 Bi1\n1.0\n4.850483 0.000000 0.000000\n0.000000 4.850483 0.000000\n0.000000 0.000000 4.850483\nHo Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Bi"
],
"chemical_system": "Bi-Ho",
"density": 10.240607626633356,
"density_atomic": 0.03505137271674571,
"volume": 114.11821249696762,
"volume_molar": 17.18089847340825,
"formula_full": "Ho3 Bi1",
"formula_reduced": "Ho3Bi",
"formula_anonymous": "AB3",
"energy": -18.89139724,
"energy_per_atom": -4.72284931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.89139724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.406000Z",
"spacegroup": 221
}
]
}