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_atomic&page=10253",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10251",
"results": [
{
"id": "mp-11551",
"created_at": "2022-09-04T14:44:19.225121Z",
"structure_string": "Tb8 Pt4\n1.0\n4.802748 0.000000 0.000000\n0.000000 7.208057 0.000000\n0.000000 0.000000 8.852338\nTb Pt\n8 4\ndirect\n0.750000 0.642747 0.417517 Tb\n0.250000 0.357253 0.582483 Tb\n0.750000 0.142747 0.082483 Tb\n0.250000 0.857253 0.917517 Tb\n0.750000 0.508582 0.833873 Tb\n0.250000 0.491418 0.166127 Tb\n0.750000 0.008582 0.666127 Tb\n0.250000 0.991418 0.333873 Tb\n0.750000 0.240954 0.408534 Pt\n0.250000 0.759046 0.591466 Pt\n0.750000 0.740954 0.091466 Pt\n0.250000 0.259046 0.908534 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 11.117449590378564,
"density_atomic": 0.03915752610338168,
"volume": 306.45449787400304,
"volume_molar": 15.379267689436391,
"formula_full": "Tb8 Pt4",
"formula_reduced": "Tb2Pt",
"formula_anonymous": "AB2",
"energy": -72.42268528,
"energy_per_atom": -6.035223773333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.42268528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044231,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.186000Z",
"spacegroup": 62
},
{
"id": "mp-1025443",
"created_at": "2022-09-04T14:40:02.370255Z",
"structure_string": "Th2 Cd6\n1.0\n3.427204 -5.936091 0.000000\n3.427204 5.936091 0.000000\n0.000000 0.000000 5.021229\nTh Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Th\n0.666667 0.333333 0.750000 Th\n0.157008 0.314016 0.750000 Cd\n0.842992 0.685984 0.250000 Cd\n0.685984 0.842992 0.750000 Cd\n0.314016 0.157008 0.250000 Cd\n0.157008 0.842992 0.750000 Cd\n0.842992 0.157008 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Cd"
],
"chemical_system": "Cd-Th",
"density": 9.253748013240124,
"density_atomic": 0.03915700412563432,
"volume": 204.30572201928908,
"volume_molar": 15.37947270091988,
"formula_full": "Th2 Cd6",
"formula_reduced": "ThCd3",
"formula_anonymous": "AB3",
"energy": -21.53117687,
"energy_per_atom": -2.69139710875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.53117687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.91e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.306000Z",
"spacegroup": 194
},
{
"id": "mp-1101251",
"created_at": "2022-09-04T14:41:14.037730Z",
"structure_string": "Tl4 Pt2\n1.0\n-3.683450 3.683450 2.823420\n3.683450 -3.683450 2.823420\n3.683450 3.683450 -2.823420\nTl Pt\n4 2\ndirect\n0.157500 0.342500 0.500000 Tl\n0.657500 0.157500 0.815001 Tl\n0.842500 0.657500 0.500000 Tl\n0.342500 0.842500 0.184999 Tl\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Pt"
],
"chemical_system": "Pt-Tl",
"density": 13.087706863329213,
"density_atomic": 0.039156711768021955,
"volume": 153.2304355775862,
"volume_molar": 15.379587529405601,
"formula_full": "Tl4 Pt2",
"formula_reduced": "Tl2Pt",
"formula_anonymous": "AB2",
"energy": -21.52281996,
"energy_per_atom": -3.58713666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.52281996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.816000Z",
"spacegroup": 140
},
{
"id": "mp-1226350",
"created_at": "2022-09-04T14:41:29.549042Z",
"structure_string": "Cr3 Te5\n1.0\n1.994538 -3.454641 0.000000\n1.994538 3.454641 0.000000\n0.000000 0.000000 14.825803\nCr Te\n3 5\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.282225 Cr\n0.000000 0.000000 0.717775 Cr\n0.333333 0.666667 0.815866 Te\n0.333333 0.666667 0.392519 Te\n0.666667 0.333333 0.184134 Te\n0.666667 0.333333 0.607481 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.453120007440156,
"density_atomic": 0.039155838482160615,
"volume": 204.3118040658176,
"volume_molar": 15.379930537673673,
"formula_full": "Cr3 Te5",
"formula_reduced": "Cr3Te5",
"formula_anonymous": "A3B5",
"energy": -46.49418994,
"energy_per_atom": -5.8117737425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.38418994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9530625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.788000Z",
"spacegroup": 164
},
{
"id": "mp-1098297",
"created_at": "2022-09-04T14:48:01.917088Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n4.534994 -4.779042 0.000000\n4.534994 4.779042 0.000000\n0.000000 0.000000 4.713654\nSr Hf Mg\n1 1 6\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.772597 0.772597 0.500000 Mg\n0.227403 0.227403 0.500000 Mg\n0.766324 0.233676 0.500000 Mg\n0.233676 0.766324 0.500000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Sr",
"density": 3.347941045903589,
"density_atomic": 0.03915477446536974,
"volume": 204.31735616496945,
"volume_molar": 15.380348481706248,
"formula_full": "Sr1 Hf1 Mg6",
"formula_reduced": "SrHfMg6",
"formula_anonymous": "ABC6",
"energy": -20.32946266,
"energy_per_atom": -2.5411828325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.32946266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.696000Z",
"spacegroup": 65
},
{
"id": "mp-1184293",
"created_at": "2022-09-04T14:45:27.141144Z",
"structure_string": "Eu1 Tl1 Au2\n1.0\n0.000000 3.710362 3.710362\n3.710362 0.000000 3.710362\n3.710362 3.710362 0.000000\nEu Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Tl",
"Au"
],
"chemical_system": "Au-Eu-Tl",
"density": 12.195338932590992,
"density_atomic": 0.03915445157499954,
"volume": 102.15952054233432,
"volume_molar": 15.38047531700122,
"formula_full": "Eu1 Tl1 Au2",
"formula_reduced": "EuTlAu2",
"formula_anonymous": "ABC2",
"energy": -21.22470064,
"energy_per_atom": -5.30617516,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22470064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.007738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.826000Z",
"spacegroup": 225
},
{
"id": "mp-1023153",
"created_at": "2022-09-04T14:45:43.227586Z",
"structure_string": "Ca2 Mg12 Bi2\n1.0\n5.457539 0.000000 0.000000\n0.000000 6.368059 0.000000\n0.000000 0.000000 11.758178\nCa Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.169220 Ca\n0.500000 0.500000 0.669220 Ca\n0.500000 0.248578 0.417366 Mg\n0.500000 0.751422 0.417366 Mg\n0.000000 0.749141 0.077600 Mg\n0.000000 0.250859 0.077600 Mg\n0.000000 0.000000 0.337840 Mg\n0.000000 0.500000 0.337793 Mg\n0.500000 0.748578 0.917366 Mg\n0.500000 0.251422 0.917366 Mg\n0.000000 0.249141 0.577600 Mg\n0.000000 0.750859 0.577600 Mg\n0.000000 0.500000 0.837840 Mg\n0.000000 0.000000 0.837793 Mg\n0.500000 0.500000 0.165212 Bi\n0.500000 0.000000 0.665212 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Bi"
],
"chemical_system": "Bi-Ca-Mg",
"density": 3.2092940628756508,
"density_atomic": 0.03915399002563437,
"volume": 408.64289921728783,
"volume_molar": 15.380656622881258,
"formula_full": "Ca2 Mg12 Bi2",
"formula_reduced": "CaMg6Bi",
"formula_anonymous": "ABC6",
"energy": -32.40425397,
"energy_per_atom": -2.025265873125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.40425397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.914000Z",
"spacegroup": 38
},
{
"id": "mp-757084",
"created_at": "2022-09-04T14:46:57.087416Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n6.921322 0.000000 0.000000\n0.000000 9.234779 0.000000\n0.000000 0.976928 11.188432\nRb Sb O\n12 4 12\ndirect\n0.305225 0.341194 0.065804 Rb\n0.642611 0.921766 0.185863 Rb\n0.775080 0.418075 0.187798 Rb\n0.275080 0.581925 0.312202 Rb\n0.142611 0.078234 0.314137 Rb\n0.805225 0.658806 0.434196 Rb\n0.194775 0.341194 0.565804 Rb\n0.857389 0.921766 0.685863 Rb\n0.724920 0.418075 0.687798 Rb\n0.224920 0.581925 0.812202 Rb\n0.357389 0.078234 0.814137 Rb\n0.694775 0.658806 0.934196 Rb\n0.148996 0.813822 0.060813 Sb\n0.648996 0.186178 0.439187 Sb\n0.351004 0.813822 0.560813 Sb\n0.851004 0.186178 0.939187 Sb\n0.345307 0.657804 0.057174 O\n0.956937 0.182147 0.102732 O\n0.942813 0.711449 0.159099 O\n0.442813 0.288551 0.340901 O\n0.456937 0.817853 0.397268 O\n0.845307 0.342196 0.442826 O\n0.154693 0.657804 0.557174 O\n0.543063 0.182147 0.602732 O\n0.557187 0.711449 0.659099 O\n0.057187 0.288551 0.840901 O\n0.043063 0.817853 0.897268 O\n0.654693 0.342196 0.942826 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 3.9582080286899712,
"density_atomic": 0.0391537391920329,
"volume": 715.1296549908445,
"volume_molar": 15.380755157161081,
"formula_full": "Rb12 Sb4 O12",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy": -135.97059836,
"energy_per_atom": -4.856092798571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.72659836,
"band_gap": 2.7821,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.05e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.516000Z",
"spacegroup": 14
},
{
"id": "mp-36592",
"created_at": "2022-09-04T14:44:59.268360Z",
"structure_string": "Nd5 Ag1 Se8\n1.0\n-4.452430 4.452430 4.509245\n4.452430 -4.452430 4.509245\n4.452430 4.452430 -4.509245\nNd Ag Se\n5 1 8\ndirect\n0.622284 0.500475 0.382299 Nd\n0.499525 0.881824 0.121809 Nd\n0.118176 0.239985 0.617701 Nd\n0.250000 0.750000 0.500000 Nd\n0.760015 0.377716 0.878191 Nd\n0.000000 0.000000 0.000000 Ag\n0.725921 0.975285 0.608407 Se\n0.236119 0.493073 0.104351 Se\n0.868232 0.763881 0.256954 Se\n0.024715 0.633122 0.750636 Se\n0.388722 0.131768 0.895649 Se\n0.506927 0.611278 0.743046 Se\n0.882486 0.274079 0.249364 Se\n0.366878 0.117514 0.391593 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Ag",
"Se"
],
"chemical_system": "Ag-Nd-Se",
"density": 6.78374330568749,
"density_atomic": 0.03915344778687247,
"volume": 357.5674887230232,
"volume_molar": 15.380869630641131,
"formula_full": "Nd5 Ag1 Se8",
"formula_reduced": "Nd5AgSe8",
"formula_anonymous": "AB5C8",
"energy": -81.93006170999999,
"energy_per_atom": -5.852147264999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.15406171,
"band_gap": 1.4881000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.616000Z",
"spacegroup": 82
},
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5801956208360088,
"density_atomic": 0.03915309796461064,
"volume": 25.540763106507466,
"volume_molar": 15.381007054520284,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.36376991,
"energy_per_atom": -1.36376991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.36376991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"id": "mp-1190111",
"created_at": "2022-09-04T14:41:50.285474Z",
"structure_string": "Ga4 H4 Cl8\n1.0\n6.173523 3.223298 0.000000\n-6.173523 3.223298 0.000000\n0.000000 0.483139 10.268114\nGa H Cl\n4 4 8\ndirect\n0.942357 0.673713 0.575725 Ga\n0.326287 0.057643 0.924275 Ga\n0.057643 0.326287 0.424275 Ga\n0.673713 0.942357 0.075725 Ga\n0.698292 0.579757 0.634139 H\n0.420243 0.301708 0.865861 H\n0.301708 0.420243 0.365861 H\n0.579757 0.698292 0.134139 H\n0.253267 0.030517 0.581253 Cl\n0.969483 0.746733 0.918747 Cl\n0.746733 0.969483 0.418747 Cl\n0.030517 0.253267 0.081253 Cl\n0.927551 0.560685 0.360138 Cl\n0.439315 0.072449 0.139862 Cl\n0.072449 0.439315 0.639862 Cl\n0.560685 0.927551 0.860138 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ga",
"H",
"Cl"
],
"chemical_system": "Cl-Ga-H",
"density": 2.302138339970366,
"density_atomic": 0.03915306596452962,
"volume": 408.6525436984951,
"volume_molar": 15.38101962552743,
"formula_full": "Ga4 H4 Cl8",
"formula_reduced": "GaHCl2",
"formula_anonymous": "ABC2",
"energy": -57.79927599,
"energy_per_atom": -3.612454749375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.17127599,
"band_gap": 4.788,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.689000Z",
"spacegroup": 15
},
{
"id": "mp-1024951",
"created_at": "2022-09-04T14:46:03.857063Z",
"structure_string": "La2 Sc2 Si2\n1.0\n-2.174539 2.174539 8.102140\n2.174539 -2.174539 8.102140\n2.174539 2.174539 -8.102140\nLa Sc Si\n2 2 2\ndirect\n0.323569 0.323569 0.000000 La\n0.676431 0.676431 0.000000 La\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.118115 0.118115 0.000000 Si\n0.881885 0.881885 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sc",
"Si"
],
"chemical_system": "La-Sc-Si",
"density": 4.593164381442955,
"density_atomic": 0.03915228502643424,
"volume": 153.24776053170362,
"volume_molar": 15.38132641794486,
"formula_full": "La2 Sc2 Si2",
"formula_reduced": "LaScSi",
"formula_anonymous": "ABC",
"energy": -36.93717505,
"energy_per_atom": -6.1561958416666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.07917505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010087,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.661000Z",
"spacegroup": 139
}
]
}