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=-nelements&page=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12191",
"results": [
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-611426",
"created_at": "2022-09-04T14:40:15.716016Z",
"structure_string": "C8\n1.0\n1.259972 -2.182335 0.000000\n1.259972 2.182335 0.000000\n0.000000 0.000000 8.307445\nC\n8\ndirect\n0.000000 0.000000 0.592961 C\n0.333333 0.666667 0.344463 C\n0.000000 0.000000 0.407039 C\n0.666667 0.333333 0.655537 C\n0.000000 0.000000 0.907039 C\n0.333333 0.666667 0.155537 C\n0.000000 0.000000 0.092961 C\n0.666667 0.333333 0.844463 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.492429288069796,
"density_atomic": 0.17510970030365489,
"volume": 45.68564726070189,
"volume_molar": 3.43906748144569,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -72.64770913,
"energy_per_atom": -9.08096364125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.64770913,
"band_gap": 4.5214,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0116994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.683000Z",
"spacegroup": 194
},
{
"id": "mp-1186055",
"created_at": "2022-09-04T14:40:13.316662Z",
"structure_string": "Na20\n1.0\n9.102791 0.000000 0.000000\n0.000000 9.102791 0.000000\n0.000000 0.000000 9.102791\nNa\n20\ndirect\n0.875000 0.702081 0.047919 Na\n0.063494 0.063494 0.063494 Na\n0.202081 0.452081 0.125000 Na\n0.813494 0.313494 0.186506 Na\n0.452081 0.125000 0.202081 Na\n0.547919 0.625000 0.297919 Na\n0.186506 0.813494 0.313494 Na\n0.797919 0.952081 0.375000 Na\n0.936506 0.563494 0.436506 Na\n0.125000 0.202081 0.452081 Na\n0.625000 0.297919 0.547919 Na\n0.436506 0.936506 0.563494 Na\n0.297919 0.547919 0.625000 Na\n0.686506 0.686506 0.686506 Na\n0.047919 0.875000 0.702081 Na\n0.952081 0.375000 0.797919 Na\n0.313494 0.186506 0.813494 Na\n0.702081 0.047919 0.875000 Na\n0.563494 0.436506 0.936506 Na\n0.375000 0.797919 0.952081 Na\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.012255142103122,
"density_atomic": 0.026515894433915044,
"volume": 754.2645808100323,
"volume_molar": 22.71143737960205,
"formula_full": "Na20",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -25.95393732,
"energy_per_atom": -1.2976968660000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95393732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4023172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.060000Z",
"spacegroup": 213
},
{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.981484851061407,
"density_atomic": 0.06427782797692787,
"volume": 31.114928163376767,
"volume_molar": 9.36892385685716,
"formula_full": "Zn2",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -2.51948722,
"energy_per_atom": -1.25974361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.51948722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
},
{
"id": "mp-32",
"created_at": "2022-09-04T14:40:25.796908Z",
"structure_string": "Ge2\n1.0\n0.000000 2.881431 2.881431\n2.881431 0.000000 2.881431\n2.881431 2.881431 0.000000\nGe\n2\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.041970034757574,
"density_atomic": 0.04179990813257869,
"volume": 47.84699510957077,
"volume_molar": 14.407066974643339,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -9.24605571,
"energy_per_atom": -4.623027855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24605571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.335000Z",
"spacegroup": 227
},
{
"id": "mp-89",
"created_at": "2022-09-04T14:40:19.328949Z",
"structure_string": "Cr2\n1.0\n1.245318 -2.156954 0.000000\n1.245318 2.156954 0.000000\n0.000000 0.000000 4.449632\nCr\n2\ndirect\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.223948217395726,
"density_atomic": 0.08366710776989442,
"volume": 23.90425644329075,
"volume_molar": 7.197739853231693,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -18.46538637,
"energy_per_atom": -9.232693185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.46538637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.540000Z",
"spacegroup": 194
},
{
"id": "mp-155",
"created_at": "2022-09-04T14:40:16.860170Z",
"structure_string": "Gd2\n1.0\n1.806967 -3.129758 0.000000\n1.806967 3.129758 0.000000\n0.000000 0.000000 5.770074\nGd\n2\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.001978666054116,
"density_atomic": 0.03064485971519747,
"volume": 65.26380014747319,
"volume_molar": 19.651389551029613,
"formula_full": "Gd2",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -28.15224448,
"energy_per_atom": -14.07612224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.15224448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.303261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.854000Z",
"spacegroup": 194
},
{
"id": "mp-132",
"created_at": "2022-09-04T14:40:20.713519Z",
"structure_string": "Ca2\n1.0\n1.948306 -3.374565 0.000000\n1.948306 3.374565 0.000000\n0.000000 0.000000 6.451322\nCa\n2\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.56903074470097,
"density_atomic": 0.023576336156051227,
"volume": 84.83082302364735,
"volume_molar": 25.543157851752657,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -3.9990463,
"energy_per_atom": -1.99952315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.9990463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 194
},
{
"id": "mp-92",
"created_at": "2022-09-04T14:40:24.161915Z",
"structure_string": "Si2\n1.0\n-2.405543 2.405543 1.324897\n2.405543 -2.405543 1.324897\n2.405543 2.405543 -1.324897\nSi\n2\ndirect\n0.250000 0.750000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0415355437459226,
"density_atomic": 0.0652171233458934,
"volume": 30.666792667204266,
"volume_molar": 9.233987104981997,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -10.26190468,
"energy_per_atom": -5.13095234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.26190468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.301000Z",
"spacegroup": 141
},
{
"id": "mp-1079649",
"created_at": "2022-09-04T14:40:25.206403Z",
"structure_string": "Si8\n1.0\n2.577344 -4.375222 0.000000\n2.577344 4.375222 0.000000\n0.000000 0.000000 5.183067\nSi\n8\ndirect\n0.344380 0.344380 0.825870 Si\n0.655620 0.655620 0.174130 Si\n0.155620 0.155620 0.325870 Si\n0.844380 0.844380 0.674130 Si\n0.705715 0.294285 0.500000 Si\n0.205715 0.794285 0.000000 Si\n0.294285 0.705715 0.500000 Si\n0.794285 0.205715 0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.1917726110734614,
"density_atomic": 0.06843853214092535,
"volume": 116.89321424262552,
"volume_molar": 8.799342375724096,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -39.97924997,
"energy_per_atom": -4.99740624625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.97924997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.11e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.062000Z",
"spacegroup": 64
},
{
"id": "mp-10630",
"created_at": "2022-09-04T14:40:20.720922Z",
"structure_string": "Sb1\n1.0\n0.000000 2.395458 2.395458\n2.395458 0.000000 2.395458\n2.395458 2.395458 0.000000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.3545830945847275,
"density_atomic": 0.03637511057983855,
"volume": 27.491325361200825,
"volume_molar": 16.55566310041092,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8006478,
"energy_per_atom": -3.8006478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8006478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.829000Z",
"spacegroup": 225
},
{
"id": "mp-601273",
"created_at": "2022-09-04T14:40:16.313226Z",
"structure_string": "Sc6\n1.0\n1.616966 -2.800667 0.000000\n1.616966 2.800667 0.000000\n0.000000 0.000000 16.385516\nSc\n6\ndirect\n0.529844 0.000000 0.500000 Sc\n0.470156 0.000000 0.000000 Sc\n0.000000 0.470156 0.333333 Sc\n0.470156 0.470156 0.166667 Sc\n0.000000 0.529844 0.833333 Sc\n0.529844 0.529844 0.666667 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.018107328995218,
"density_atomic": 0.04042953721031817,
"volume": 148.40634877385435,
"volume_molar": 14.895398699896738,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.22857284,
"energy_per_atom": -6.20476214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.22857284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5982564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.478000Z",
"spacegroup": 178
}
]
}