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=-total_magnetization&page=10262",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10260",
"results": [
{
"id": "mp-1186861",
"created_at": "2022-09-04T14:46:37.974524Z",
"structure_string": "Rb6 Na2\n1.0\n4.737427 -8.205465 0.000000\n4.737427 8.205465 0.000000\n0.000000 0.000000 7.532543\nRb Na\n6 2\ndirect\n0.827089 0.172911 0.750000 Rb\n0.345822 0.172911 0.750000 Rb\n0.827089 0.654178 0.750000 Rb\n0.172911 0.827089 0.250000 Rb\n0.654178 0.827089 0.250000 Rb\n0.172911 0.345822 0.250000 Rb\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Na"
],
"chemical_system": "Na-Rb",
"density": 1.584446333115214,
"density_atomic": 0.013660690234585675,
"volume": 585.6219460818949,
"volume_molar": 44.08372239312877,
"formula_full": "Rb6 Na2",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy": -8.2110832,
"energy_per_atom": -1.0263854,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2110832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.691000Z",
"spacegroup": 194
},
{
"id": "mp-1019363",
"created_at": "2022-09-04T14:42:07.416715Z",
"structure_string": "Th2 Te2 As2\n1.0\n4.321514 0.000000 0.000000\n0.000000 4.321514 0.000000\n0.000000 0.000000 8.908636\nTh Te As\n2 2 2\ndirect\n0.000000 0.500000 0.758739 Th\n0.500000 0.000000 0.241261 Th\n0.000000 0.500000 0.371919 Te\n0.500000 0.000000 0.628081 Te\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Te",
"As"
],
"chemical_system": "As-Te-Th",
"density": 8.674519720513773,
"density_atomic": 0.036063526099304216,
"volume": 166.37308241791033,
"volume_molar": 16.69870201659562,
"formula_full": "Th2 Te2 As2",
"formula_reduced": "ThTeAs",
"formula_anonymous": "ABC",
"energy": -38.28492448,
"energy_per_atom": -6.380820746666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.44092448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.647000Z",
"spacegroup": 129
},
{
"id": "mp-1104060",
"created_at": "2022-09-04T14:47:24.772878Z",
"structure_string": "Nd4 H10\n1.0\n-2.714381 2.714381 5.521516\n2.714381 -2.714381 5.521516\n2.714381 2.714381 -5.521516\nNd H\n4 10\ndirect\n0.496523 0.996523 0.500000 Nd\n0.746523 0.746523 0.000000 Nd\n0.003477 0.503477 0.500000 Nd\n0.253477 0.253477 0.000000 Nd\n0.375000 0.355853 0.480853 H\n0.875000 0.894147 0.519147 H\n0.644147 0.125000 0.019147 H\n0.105853 0.625000 0.980853 H\n0.375000 0.894147 0.019147 H\n0.875000 0.355853 0.980853 H\n0.644147 0.625000 0.519147 H\n0.105853 0.125000 0.480853 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"H"
],
"chemical_system": "H-Nd",
"density": 5.99048971259453,
"density_atomic": 0.08603360000616717,
"volume": 162.7271205551835,
"volume_molar": 6.999754467520031,
"formula_full": "Nd4 H10",
"formula_reduced": "Nd2H5",
"formula_anonymous": "A2B5",
"energy": -62.85395315,
"energy_per_atom": -4.489568082142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.06395315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.518000Z",
"spacegroup": 141
},
{
"id": "mp-1008471",
"created_at": "2022-09-04T14:48:24.632916Z",
"structure_string": "Cd2 Te2\n1.0\n2.973115 -3.518934 0.000000\n2.973115 3.518934 0.000000\n0.000000 0.000000 5.776506\nCd Te\n2 2\ndirect\n0.358202 0.641798 0.750000 Cd\n0.641798 0.358202 0.250000 Cd\n0.777482 0.222518 0.750000 Te\n0.222518 0.777482 0.250000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.594656599523121,
"density_atomic": 0.03309344181717962,
"volume": 120.86986968890925,
"volume_molar": 18.197384222736723,
"formula_full": "Cd2 Te2",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -10.07374735,
"energy_per_atom": -2.5184368375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.22974735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.983000Z",
"spacegroup": 63
},
{
"id": "mp-864808",
"created_at": "2022-09-04T14:41:57.182303Z",
"structure_string": "Tb1 In1 Pd2\n1.0\n0.000000 3.413212 3.413212\n3.413212 0.000000 3.413212\n3.413212 3.413212 0.000000\nTb In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"In",
"Pd"
],
"chemical_system": "In-Pd-Tb",
"density": 10.15983264886768,
"density_atomic": 0.050296782518899324,
"volume": 79.5279498941503,
"volume_molar": 11.973212715420004,
"formula_full": "Tb1 In1 Pd2",
"formula_reduced": "TbInPd2",
"formula_anonymous": "ABC2",
"energy": -20.99699764,
"energy_per_atom": -5.24924941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.99699764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.442000Z",
"spacegroup": 225
},
{
"id": "mp-1074891",
"created_at": "2022-09-04T14:44:52.988889Z",
"structure_string": "Mg14 Si8\n1.0\n3.549806 0.000000 0.000000\n0.000000 8.512806 0.000000\n0.000000 0.584741 14.816505\nMg Si\n14 8\ndirect\n0.500000 0.131572 0.886240 Mg\n0.500000 0.504259 0.506986 Mg\n0.000000 0.347017 0.370601 Mg\n0.000000 0.595382 0.663519 Mg\n0.500000 0.667497 0.824539 Mg\n0.500000 0.222268 0.218953 Mg\n0.000000 0.759864 0.413187 Mg\n0.000000 0.212398 0.571051 Mg\n0.000000 0.272719 0.039367 Mg\n0.000000 0.846488 0.947711 Mg\n0.500000 0.571090 0.033502 Mg\n0.500000 0.985528 0.082945 Mg\n0.500000 0.867093 0.583418 Mg\n0.500000 0.059889 0.405969 Mg\n0.000000 0.770137 0.156382 Si\n0.000000 0.916544 0.752662 Si\n0.500000 0.366419 0.745268 Si\n0.500000 0.566422 0.295130 Si\n0.000000 0.485326 0.187258 Si\n0.000000 0.407829 0.853792 Si\n0.500000 0.090160 0.706633 Si\n0.500000 0.857701 0.258498 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0952654804026434,
"density_atomic": 0.04913597221227099,
"volume": 447.7371467274198,
"volume_molar": 12.25607327760589,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.10265798,
"energy_per_atom": -2.8683026354545453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.67065798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.505000Z",
"spacegroup": 6
},
{
"id": "mp-1207408",
"created_at": "2022-09-04T14:39:18.338071Z",
"structure_string": "Zr10 Si6 N2\n1.0\n3.977095 -6.888530 0.000000\n3.977095 6.888530 0.000000\n0.000000 0.000000 5.634460\nZr Si N\n10 6 2\ndirect\n0.234092 0.000000 0.750000 Zr\n0.765908 0.000000 0.250000 Zr\n0.000000 0.234092 0.750000 Zr\n0.000000 0.765908 0.250000 Zr\n0.765908 0.765908 0.750000 Zr\n0.234092 0.234092 0.250000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.596159 0.000000 0.750000 Si\n0.403841 0.000000 0.250000 Si\n0.000000 0.596159 0.750000 Si\n0.000000 0.403841 0.250000 Si\n0.403841 0.403841 0.750000 Si\n0.596159 0.596159 0.250000 Si\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Si",
"N"
],
"chemical_system": "N-Si-Zr",
"density": 5.963680099130112,
"density_atomic": 0.05830391129328072,
"volume": 308.7271436980665,
"volume_molar": 10.32887953212502,
"formula_full": "Zr10 Si6 N2",
"formula_reduced": "Zr5Si3N",
"formula_anonymous": "AB3C5",
"energy": -154.43356018,
"energy_per_atom": -8.579642232222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.13756018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.653000Z",
"spacegroup": 193
},
{
"id": "mp-1097546",
"created_at": "2022-09-04T14:48:20.888395Z",
"structure_string": "Y2 Mg1 Os1\n1.0\n-5.869270 6.165241 7.704236\n5.869270 -6.165241 7.704236\n5.869270 6.165241 -7.704236\nY Mg Os\n2 1 1\ndirect\n0.000000 0.295004 0.295004 Y\n0.000000 0.704996 0.704996 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Os"
],
"chemical_system": "Mg-Os-Y",
"density": 0.5842455134335576,
"density_atomic": 0.0035870404634587134,
"volume": 1115.1254190601187,
"volume_molar": 167.88605596585055,
"formula_full": "Y2 Mg1 Os1",
"formula_reduced": "Y2MgOs",
"formula_anonymous": "ABC2",
"energy": -15.76985745,
"energy_per_atom": -3.9424643625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.76985745,
"band_gap": 0.1309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:31.003000Z",
"spacegroup": 71
},
{
"id": "mp-30302",
"created_at": "2022-09-04T14:41:45.407202Z",
"structure_string": "Hf2 Br2 N2\n1.0\n10.347978 -1.816824 0.000000\n10.347978 1.816824 0.000000\n10.028993 0.000000 3.130623\nHf Br N\n2 2 2\ndirect\n0.791579 0.791579 0.791579 Hf\n0.208421 0.208421 0.208421 Hf\n0.606088 0.606088 0.606088 Br\n0.393912 0.393912 0.393912 Br\n0.861449 0.861449 0.861449 N\n0.138551 0.138551 0.138551 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 7.685253372876929,
"density_atomic": 0.050970879594351544,
"volume": 117.71427230117692,
"volume_molar": 11.814865287644276,
"formula_full": "Hf2 Br2 N2",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy": -51.82933250000001,
"energy_per_atom": -8.638222083333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.0393325,
"band_gap": 1.9205,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.525000Z",
"spacegroup": 166
},
{
"id": "mp-1245846",
"created_at": "2022-09-04T14:45:55.325748Z",
"structure_string": "Sr6 Mo4 N8\n1.0\n7.379959 0.134301 -0.005880\n-5.475430 6.996939 0.000000\n-0.103861 -0.081276 5.737486\nSr Mo N\n6 4 8\ndirect\n0.234237 0.984893 0.027991 Sr\n0.765763 0.750656 0.472009 Sr\n0.765763 0.015107 0.972009 Sr\n0.234237 0.249344 0.527991 Sr\n0.000000 0.602017 0.750000 Sr\n0.000000 0.397983 0.250000 Sr\n0.595104 0.172165 0.587200 Mo\n0.404896 0.577060 0.912800 Mo\n0.404896 0.827835 0.412800 Mo\n0.595104 0.422940 0.087200 Mo\n0.254588 0.953356 0.514158 N\n0.745412 0.698768 0.985842 N\n0.745412 0.046644 0.485842 N\n0.254588 0.301232 0.014158 N\n0.665373 0.265298 0.913029 N\n0.334627 0.599926 0.586971 N\n0.334627 0.734702 0.086971 N\n0.665373 0.400074 0.413029 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Mo",
"N"
],
"chemical_system": "Mo-N-Sr",
"density": 5.645298933596224,
"density_atomic": 0.05990425834241502,
"volume": 300.47947338086243,
"volume_molar": 10.052942689945704,
"formula_full": "Sr6 Mo4 N8",
"formula_reduced": "Sr3(MoN2)2",
"formula_anonymous": "A2B3C4",
"energy": -131.40662985,
"energy_per_atom": -7.300368325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.51862985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.011000Z",
"spacegroup": 15
},
{
"id": "mp-12862",
"created_at": "2022-09-04T14:40:27.395255Z",
"structure_string": "Lu2 Ta2 O8\n1.0\n5.444142 3.473691 0.000000\n-5.444142 3.473691 0.000000\n0.000000 3.321120 3.809038\nLu Ta O\n2 2 8\ndirect\n0.368478 0.631522 0.250000 Lu\n0.631522 0.368478 0.750000 Lu\n0.896867 0.103133 0.250000 Ta\n0.103133 0.896867 0.750000 Ta\n0.216530 0.279774 0.779908 O\n0.720226 0.783470 0.720092 O\n0.783470 0.720226 0.220092 O\n0.279774 0.216530 0.279908 O\n0.626682 0.049234 0.159756 O\n0.950766 0.373318 0.340244 O\n0.373318 0.950766 0.840244 O\n0.049234 0.626682 0.659756 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Ta",
"density": 9.679923978003222,
"density_atomic": 0.08329430660662383,
"volume": 144.0674697812506,
"volume_molar": 7.229954849664479,
"formula_full": "Lu2 Ta2 O8",
"formula_reduced": "LuTaO4",
"formula_anonymous": "ABC4",
"energy": -117.29302995999998,
"energy_per_atom": -9.774419163333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.79702996,
"band_gap": 3.9815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.006000Z",
"spacegroup": 15
},
{
"id": "mp-1215575",
"created_at": "2022-09-04T14:40:03.206058Z",
"structure_string": "Zn1 Au4\n1.0\n11.493348 -1.488744 0.000000\n11.493348 1.488744 0.000000\n11.300509 0.000000 2.571360\nZn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.605470 0.605470 0.605470 Au\n0.201517 0.201517 0.201517 Au\n0.798483 0.798483 0.798483 Au\n0.394530 0.394530 0.394530 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 16.10196206669109,
"density_atomic": 0.05682121868447553,
"volume": 87.99529675286743,
"volume_molar": 10.598401265274774,
"formula_full": "Zn1 Au4",
"formula_reduced": "ZnAu4",
"formula_anonymous": "AB4",
"energy": -14.65418132,
"energy_per_atom": -2.930836264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.65418132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.392000Z",
"spacegroup": 166
}
]
}