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=-volume&page=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12114",
"results": [
{
"id": "mp-899",
"created_at": "2022-09-04T14:44:21.678728Z",
"structure_string": "In1 Rh1\n1.0\n3.243630 0.000000 0.000000\n0.000000 3.243630 0.000000\n0.000000 0.000000 3.243630\nIn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Rh"
],
"chemical_system": "In-Rh",
"density": 10.594012453164604,
"density_atomic": 0.05860518890078251,
"volume": 34.12667099130015,
"volume_molar": 10.275780818990912,
"formula_full": "In1 Rh1",
"formula_reduced": "InRh",
"formula_anonymous": "AB",
"energy": -10.94364468,
"energy_per_atom": -5.47182234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.94364468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.159000Z",
"spacegroup": 221
},
{
"id": "mp-12979",
"created_at": "2022-09-04T14:39:06.853042Z",
"structure_string": "Sn1 O2\n1.0\n0.000000 2.574150 2.574150\n2.574150 0.000000 2.574150\n2.574150 2.574150 0.000000\nSn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 7.335946620076627,
"density_atomic": 0.08794065741857417,
"volume": 34.11391372389675,
"volume_molar": 6.847959677326734,
"formula_full": "Sn1 O2",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy": -19.49096569,
"energy_per_atom": -6.496988563333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.11696569,
"band_gap": 0.4016000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.618000Z",
"spacegroup": 225
},
{
"id": "mp-35695",
"created_at": "2022-09-04T14:40:08.338896Z",
"structure_string": "Li2 H1 N1\n1.0\n3.205769 -1.801551 0.000000\n3.205769 1.801551 0.000000\n2.193349 0.000000 2.951569\nLi H N\n2 1 1\ndirect\n0.282210 0.282210 0.282210 Li\n0.747246 0.747246 0.747246 Li\n0.088517 0.088517 0.088517 H\n0.975026 0.975026 0.975026 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.4074556633984319,
"density_atomic": 0.11732708192196223,
"volume": 34.092725519761245,
"volume_molar": 5.13277979930116,
"formula_full": "Li2 H1 N1",
"formula_reduced": "Li2HN",
"formula_anonymous": "ABC2",
"energy": -17.53843807,
"energy_per_atom": -4.3846095175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.17743807,
"band_gap": 2.5648,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.751000Z",
"spacegroup": 160
},
{
"id": "mp-1186388",
"created_at": "2022-09-04T14:39:46.208402Z",
"structure_string": "Np1 Zn1\n1.0\n2.691862 -0.000657 0.000185\n-1.346499 2.331113 -0.000203\n0.000216 -0.000135 5.430652\nNp Zn\n1 1\ndirect\n0.666665 0.333309 0.749999 Np\n0.333336 0.666692 0.250002 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"Zn"
],
"chemical_system": "Np-Zn",
"density": 14.737945636377951,
"density_atomic": 0.05869797735263652,
"volume": 34.07272431185683,
"volume_molar": 10.2595370941338,
"formula_full": "Np1 Zn1",
"formula_reduced": "NpZn",
"formula_anonymous": "AB",
"energy": -13.854201,
"energy_per_atom": -6.9271005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.854201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2033497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.844000Z",
"spacegroup": 187
},
{
"id": "mp-1008921",
"created_at": "2022-09-04T14:45:17.292924Z",
"structure_string": "Cd1 N1\n1.0\n0.000000 2.573069 2.573069\n2.573069 0.000000 2.573069\n2.573069 2.573069 0.000000\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 6.161304729823045,
"density_atomic": 0.058701027405293066,
"volume": 34.070953923706966,
"volume_molar": 10.259004017801884,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy": -7.37556356,
"energy_per_atom": -3.68778178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.01456356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7754751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.200000Z",
"spacegroup": 216
},
{
"id": "mp-983590",
"created_at": "2022-09-04T14:41:16.381653Z",
"structure_string": "Be3 Fe1\n1.0\n3.240938 0.000000 0.000000\n0.000000 3.240938 0.000000\n0.000000 0.000000 3.240938\nBe Fe\n3 1\ndirect\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Fe"
],
"chemical_system": "Be-Fe",
"density": 4.042916502750371,
"density_atomic": 0.11750269363413404,
"volume": 34.04177279930897,
"volume_molar": 5.125108687934447,
"formula_full": "Be3 Fe1",
"formula_reduced": "Be3Fe",
"formula_anonymous": "AB3",
"energy": -20.52420885,
"energy_per_atom": -5.1310522125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.52420885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5706236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.570000Z",
"spacegroup": 221
},
{
"id": "mp-1217895",
"created_at": "2022-09-04T14:46:56.689466Z",
"structure_string": "Ta1 Mo1\n1.0\n1.624791 -2.336975 0.000000\n1.624791 2.336975 0.000000\n0.000000 0.000000 4.477023\nTa Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Mo"
],
"chemical_system": "Mo-Ta",
"density": 13.523283453942348,
"density_atomic": 0.05882461632135247,
"volume": 33.99937177786622,
"volume_molar": 10.237450129894093,
"formula_full": "Ta1 Mo1",
"formula_reduced": "TaMo",
"formula_anonymous": "AB",
"energy": -22.91777279,
"energy_per_atom": -11.458886395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.91777279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.147000Z",
"spacegroup": 65
},
{
"id": "mp-1220327",
"created_at": "2022-09-04T14:43:04.570456Z",
"structure_string": "Nb1 Mo1\n1.0\n1.621971 -2.310988 0.000000\n1.621971 2.310988 0.000000\n0.000000 0.000000 4.531310\nNb Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Mo"
],
"chemical_system": "Mo-Nb",
"density": 9.231307464958839,
"density_atomic": 0.058875614107119646,
"volume": 33.96992167862834,
"volume_molar": 10.228582497743766,
"formula_full": "Nb1 Mo1",
"formula_reduced": "NbMo",
"formula_anonymous": "AB",
"energy": -21.09555426,
"energy_per_atom": -10.54777713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.09555426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.719000Z",
"spacegroup": 65
},
{
"id": "mp-1017509",
"created_at": "2022-09-04T14:44:16.722026Z",
"structure_string": "Mg1 Ni1 H2\n1.0\n3.324301 0.000000 0.000000\n0.000000 3.324301 0.000000\n0.000000 0.000000 3.072718\nMg Ni H\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"H"
],
"chemical_system": "H-Mg-Ni",
"density": 4.157359620397132,
"density_atomic": 0.117797644502188,
"volume": 33.95653637136779,
"volume_molar": 5.112276043760912,
"formula_full": "Mg1 Ni1 H2",
"formula_reduced": "MgNiH2",
"formula_anonymous": "ABC2",
"energy": -15.24114163,
"energy_per_atom": -3.8102854075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88314163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.441000Z",
"spacegroup": 123
},
{
"id": "mp-1780",
"created_at": "2022-09-04T14:47:14.645133Z",
"structure_string": "Sc1 Rh1\n1.0\n3.236101 0.000000 0.000000\n0.000000 3.236101 0.000000\n0.000000 0.000000 3.236101\nSc Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Rh"
],
"chemical_system": "Rh-Sc",
"density": 7.244989220960364,
"density_atomic": 0.05901518769262635,
"volume": 33.88958127892034,
"volume_molar": 10.204391437955955,
"formula_full": "Sc1 Rh1",
"formula_reduced": "ScRh",
"formula_anonymous": "AB",
"energy": -15.75919918,
"energy_per_atom": -7.87959959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.75919918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.351000Z",
"spacegroup": 221
},
{
"id": "mp-11219",
"created_at": "2022-09-04T14:40:35.812806Z",
"structure_string": "Lu1 B2\n1.0\n1.621981 -2.809354 0.000000\n1.621981 2.809354 0.000000\n0.000000 0.000000 3.715634\nLu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"B"
],
"chemical_system": "B-Lu",
"density": 9.640357900288546,
"density_atomic": 0.08859436530891114,
"volume": 33.86219867978725,
"volume_molar": 6.7974308964254995,
"formula_full": "Lu1 B2",
"formula_reduced": "LuB2",
"formula_anonymous": "AB2",
"energy": -19.95434301,
"energy_per_atom": -6.65144767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.95434301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.258000Z",
"spacegroup": 191
},
{
"id": "mp-1060962",
"created_at": "2022-09-04T14:41:21.127530Z",
"structure_string": "Tl1 C1\n1.0\n3.234577 0.000000 0.000000\n0.000000 3.234577 0.000000\n0.000000 0.000000 3.234577\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"C"
],
"chemical_system": "C-Tl",
"density": 10.617978215882667,
"density_atomic": 0.05909864360819285,
"volume": 33.84172424090525,
"volume_molar": 10.189981346991779,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy": -6.4861269,
"energy_per_atom": -3.24306345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.4861269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.366000Z",
"spacegroup": 221
}
]
}