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=-id&page=122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=120",
"results": [
{
"id": "mp-980188",
"created_at": "2022-09-04T14:46:19.864295Z",
"structure_string": "Rb1 Yb3\n1.0\n-2.912893 2.912893 5.819939\n2.912893 -2.912893 5.819939\n2.912893 2.912893 -5.819939\nRb Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 5.082542149488592,
"density_atomic": 0.02025034858687566,
"volume": 197.52746392683915,
"volume_molar": 29.738454793331194,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.76087299,
"energy_per_atom": -1.1902182475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.76087299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.844000Z",
"spacegroup": 139
},
{
"id": "mp-980150",
"created_at": "2022-09-04T14:44:08.596807Z",
"structure_string": "Th2 Zn1 Tc1\n1.0\n0.000000 3.619897 3.619897\n3.619897 0.000000 3.619897\n3.619897 3.619897 0.000000\nTh Zn Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.750000 0.750000 0.750000 Th\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Zn",
"Tc"
],
"chemical_system": "Tc-Th-Zn",
"density": 10.983326481077967,
"density_atomic": 0.04216395640103442,
"volume": 94.86775771122528,
"volume_molar": 14.282674763064353,
"formula_full": "Th2 Zn1 Tc1",
"formula_reduced": "Th2ZnTc",
"formula_anonymous": "ABC2",
"energy": -26.92554993,
"energy_per_atom": -6.7313874825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.92554993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.920000Z",
"spacegroup": 225
},
{
"id": "mp-980110",
"created_at": "2022-09-04T14:48:21.675961Z",
"structure_string": "Th2 Ni4 Sn4\n1.0\n4.449400 0.000000 0.000000\n0.000000 4.449400 0.000000\n0.000000 0.000000 10.101401\nTh Ni Sn\n2 4 4\ndirect\n0.000000 0.500000 0.234029 Th\n0.500000 0.000000 0.765971 Th\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.372419 Ni\n0.000000 0.500000 0.627581 Ni\n0.500000 0.000000 0.125543 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.874457 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Th",
"density": 9.745808768155774,
"density_atomic": 0.05000523668398366,
"volume": 199.97905545766434,
"volume_molar": 12.043020210179009,
"formula_full": "Th2 Ni4 Sn4",
"formula_reduced": "Th(NiSn)2",
"formula_anonymous": "AB2C2",
"energy": -59.21677383000001,
"energy_per_atom": -5.9216773830000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.21677383000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.651000Z",
"spacegroup": 129
},
{
"id": "mp-980109",
"created_at": "2022-09-04T14:42:11.178416Z",
"structure_string": "Sn2 Au6\n1.0\n3.019211 -5.229426 0.000000\n3.019211 5.229426 0.000000\n0.000000 0.000000 4.999280\nSn Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.164117 0.328234 0.250000 Au\n0.671766 0.835883 0.250000 Au\n0.164117 0.835883 0.250000 Au\n0.835883 0.671766 0.750000 Au\n0.328234 0.164117 0.750000 Au\n0.835883 0.164117 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Au"
],
"chemical_system": "Au-Sn",
"density": 14.92841490329596,
"density_atomic": 0.050676316862952896,
"volume": 157.86466924253583,
"volume_molar": 11.883540740117416,
"formula_full": "Sn2 Au6",
"formula_reduced": "SnAu3",
"formula_anonymous": "AB3",
"energy": -28.00543669,
"energy_per_atom": -3.50067958625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.00543669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.316000Z",
"spacegroup": 194
},
{
"id": "mp-980108",
"created_at": "2022-09-04T14:43:00.187365Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n5.760194 0.000000 0.000000\n0.000000 5.428014 0.000000\n0.000000 5.396274 7.800781\nSm Mg Ir O\n4 2 2 12\ndirect\n0.931909 0.731171 0.749098 Sm\n0.431909 0.268829 0.750902 Sm\n0.568091 0.731171 0.249098 Sm\n0.068091 0.268829 0.250902 Sm\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.198331 0.750720 0.554439 O\n0.700834 0.634153 0.554855 O\n0.034069 0.146284 0.747827 O\n0.534069 0.853716 0.752173 O\n0.200834 0.365847 0.945145 O\n0.698331 0.249280 0.945561 O\n0.301669 0.750720 0.054439 O\n0.799166 0.634153 0.054855 O\n0.465931 0.146284 0.247827 O\n0.965931 0.853716 0.252173 O\n0.299166 0.365847 0.445145 O\n0.801669 0.249280 0.445561 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sm",
"density": 8.350111597148617,
"density_atomic": 0.08199999774494714,
"volume": 243.90244573186476,
"volume_molar": 7.344074299527753,
"formula_full": "Sm4 Mg2 Ir2 O12",
"formula_reduced": "Sm2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy": -157.41411127,
"energy_per_atom": -7.8707055635000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.17011127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0010636,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.828000Z",
"spacegroup": 14
},
{
"id": "mp-9801",
"created_at": "2022-09-04T14:47:38.693425Z",
"structure_string": "Hf4 Co4 As4\n1.0\n3.824305 0.000000 0.000000\n0.000000 6.472057 0.000000\n0.000000 0.000000 7.259432\nHf Co As\n4 4 4\ndirect\n0.250000 0.520106 0.186986 Hf\n0.750000 0.479894 0.813014 Hf\n0.250000 0.020106 0.313014 Hf\n0.750000 0.979894 0.686986 Hf\n0.250000 0.638873 0.563677 Co\n0.750000 0.361127 0.436323 Co\n0.250000 0.138873 0.936323 Co\n0.750000 0.861127 0.063677 Co\n0.750000 0.732149 0.384221 As\n0.250000 0.267851 0.615779 As\n0.750000 0.232149 0.115779 As\n0.250000 0.767851 0.884221 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Co",
"As"
],
"chemical_system": "As-Co-Hf",
"density": 11.546380512551849,
"density_atomic": 0.06678574112861808,
"volume": 179.67907216736612,
"volume_molar": 9.017105535150641,
"formula_full": "Hf4 Co4 As4",
"formula_reduced": "HfCoAs",
"formula_anonymous": "ABC",
"energy": -96.69036645,
"energy_per_atom": -8.0575305375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.69036645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.62e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.235000Z",
"spacegroup": 62
},
{
"id": "mp-980094",
"created_at": "2022-09-04T14:45:34.150966Z",
"structure_string": "Ti2 Pd2\n1.0\n2.800853 0.000000 0.000000\n0.000000 4.588116 0.000000\n0.000000 0.000000 4.915354\nTi Pd\n2 2\ndirect\n0.000000 0.250000 0.702085 Ti\n0.000000 0.750000 0.297915 Ti\n0.500000 0.250000 0.186917 Pd\n0.500000 0.750000 0.813083 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Pd"
],
"chemical_system": "Pd-Ti",
"density": 8.11201829485618,
"density_atomic": 0.06332577085068891,
"volume": 63.16543717140531,
"volume_molar": 9.509778845328476,
"formula_full": "Ti2 Pd2",
"formula_reduced": "TiPd",
"formula_anonymous": "AB",
"energy": -28.32776123,
"energy_per_atom": -7.0819403075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.32776123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.074000Z",
"spacegroup": 51
},
{
"id": "mp-980084",
"created_at": "2022-09-04T14:47:37.625318Z",
"structure_string": "Th2 Cu4 Sn4\n1.0\n4.475248 0.000000 0.000000\n0.000000 4.475248 0.000000\n0.000000 0.000000 10.543458\nTh Cu Sn\n2 4 4\ndirect\n0.000000 0.500000 0.239027 Th\n0.500000 0.000000 0.760973 Th\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.364938 Cu\n0.000000 0.500000 0.635062 Cu\n0.500000 0.000000 0.128053 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.871947 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Th",
"density": 9.382286708480443,
"density_atomic": 0.04735683978363191,
"volume": 211.16273901909162,
"volume_molar": 12.716517376401141,
"formula_full": "Th2 Cu4 Sn4",
"formula_reduced": "Th(CuSn)2",
"formula_anonymous": "AB2C2",
"energy": -50.71979765,
"energy_per_atom": -5.071979765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.71979765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.51e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.647000Z",
"spacegroup": 129
},
{
"id": "mp-980082",
"created_at": "2022-09-04T14:39:45.918087Z",
"structure_string": "Y1 Ho3\n1.0\n5.013593 0.000000 0.000000\n0.000000 5.013593 0.000000\n0.000000 0.000000 5.013593\nY Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Ho"
],
"chemical_system": "Ho-Y",
"density": 7.6911129845152955,
"density_atomic": 0.03174042702739524,
"volume": 126.02224905630885,
"volume_molar": 18.973093067721727,
"formula_full": "Y1 Ho3",
"formula_reduced": "YHo3",
"formula_anonymous": "AB3",
"energy": -20.09196351,
"energy_per_atom": -5.0229908775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.09196351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.705000Z",
"spacegroup": 221
},
{
"id": "mp-980071",
"created_at": "2022-09-04T14:43:17.021361Z",
"structure_string": "Tm1 Lu1 Tl2\n1.0\n0.000000 3.752256 3.752256\n3.752256 0.000000 3.752256\n3.752256 3.752256 0.000000\nTm Lu Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Lu",
"Tl"
],
"chemical_system": "Lu-Tl-Tm",
"density": 11.82891911649975,
"density_atomic": 0.037857559489801365,
"volume": 105.659214537524,
"volume_molar": 15.907366563400194,
"formula_full": "Tm1 Lu1 Tl2",
"formula_reduced": "TmLuTl2",
"formula_anonymous": "ABC2",
"energy": -14.82018898,
"energy_per_atom": -3.705047245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.82018898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.176000Z",
"spacegroup": 225
},
{
"id": "mp-980070",
"created_at": "2022-09-04T14:41:59.302625Z",
"structure_string": "Yb1 Er3\n1.0\n-2.513341 2.513341 5.058473\n2.513341 -2.513341 5.058473\n2.513341 2.513341 -5.058473\nYb Er\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Er"
],
"chemical_system": "Er-Yb",
"density": 8.767037270847558,
"density_atomic": 0.03129520003879899,
"volume": 127.81512804011167,
"volume_molar": 19.243017307874386,
"formula_full": "Yb1 Er3",
"formula_reduced": "YbEr3",
"formula_anonymous": "AB3",
"energy": -14.75283748,
"energy_per_atom": -3.68820937,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.75283748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.167582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.792000Z",
"spacegroup": 139
},
{
"id": "mp-980069",
"created_at": "2022-09-04T14:45:16.983499Z",
"structure_string": "Yb1 Pr1 Rh2\n1.0\n0.000000 3.464661 3.464661\n3.464661 0.000000 3.464661\n3.464661 3.464661 0.000000\nYb Pr Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Rh"
],
"chemical_system": "Pr-Rh-Yb",
"density": 10.376205998189748,
"density_atomic": 0.0480892222553288,
"volume": 83.17872097747967,
"volume_molar": 12.522849149078684,
"formula_full": "Yb1 Pr1 Rh2",
"formula_reduced": "YbPrRh2",
"formula_anonymous": "ABC2",
"energy": -23.5218008,
"energy_per_atom": -5.8804502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.5218008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.259000Z",
"spacegroup": 225
}
]
}