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=12148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12146",
"results": [
{
"id": "mp-1006887",
"created_at": "2022-09-04T14:47:09.725025Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.428117 2.428117\n2.428117 0.000000 2.428117\n2.428117 2.428117 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 7.216164152184209,
"density_atomic": 0.0698539825235262,
"volume": 28.63115212259255,
"volume_molar": 8.621041410161254,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy": -6.17133861,
"energy_per_atom": -3.085669305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17133861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.588000Z",
"spacegroup": 225
},
{
"id": "mp-1228001",
"created_at": "2022-09-04T14:41:09.660571Z",
"structure_string": "Al1 V1\n1.0\n-1.783540 -1.400316 1.400316\n-1.783540 1.400316 -1.400316\n0.000000 -2.862264 -2.862264\nAl V\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"V"
],
"chemical_system": "Al-V",
"density": 4.525185557749975,
"density_atomic": 0.0699441523146838,
"volume": 28.594241745926883,
"volume_molar": 8.609927435971994,
"formula_full": "Al1 V1",
"formula_reduced": "AlV",
"formula_anonymous": "AB",
"energy": -13.28301903,
"energy_per_atom": -6.641509515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.28301903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.925000Z",
"spacegroup": 65
},
{
"id": "mp-754514",
"created_at": "2022-09-04T14:39:38.916775Z",
"structure_string": "N2\n1.0\n-1.083636 1.692473 3.886485\n1.083636 -1.692473 3.886485\n1.083636 1.692473 -3.886485\nN\n2\ndirect\n0.605821 0.250000 0.355821 N\n0.394179 0.750000 0.644179 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.6315213420227785,
"density_atomic": 0.07014679530510878,
"volume": 28.511637506757776,
"volume_molar": 8.58505471818954,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -14.59734601,
"energy_per_atom": -7.298673005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.59734601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.763000Z",
"spacegroup": 74
},
{
"id": "mp-1223860",
"created_at": "2022-09-04T14:39:25.924186Z",
"structure_string": "Ir1 Ru1\n1.0\n4.523543 -1.358693 0.000000\n4.523543 1.358693 0.000000\n4.115445 0.000000 2.317670\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.094651631723746,
"density_atomic": 0.07020181488097335,
"volume": 28.48929195621203,
"volume_molar": 8.578326315652228,
"formula_full": "Ir1 Ru1",
"formula_reduced": "IrRu",
"formula_anonymous": "AB",
"energy": -18.13029243,
"energy_per_atom": -9.065146215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.13029243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.418000Z",
"spacegroup": 166
},
{
"id": "mp-19830",
"created_at": "2022-09-04T14:48:19.966191Z",
"structure_string": "Er1 N1\n1.0\n0.000000 2.424062 2.424062\n2.424062 0.000000 2.424062\n2.424062 2.424062 0.000000\nEr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"N"
],
"chemical_system": "Er-N",
"density": 10.565828659178292,
"density_atomic": 0.07020512700814609,
"volume": 28.48794789257962,
"volume_molar": 8.577921608632991,
"formula_full": "Er1 N1",
"formula_reduced": "ErN",
"formula_anonymous": "AB",
"energy": -16.81812627,
"energy_per_atom": -8.409063135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.45712627,
"band_gap": 0.1242999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.53e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.972000Z",
"spacegroup": 225
},
{
"id": "mp-2744",
"created_at": "2022-09-04T14:42:52.004561Z",
"structure_string": "Li1 Pd1\n1.0\n1.399935 -2.424759 0.000000\n1.399935 2.424759 0.000000\n0.000000 0.000000 4.195430\nLi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Pd"
],
"chemical_system": "Li-Pd",
"density": 6.608910023648338,
"density_atomic": 0.07021777586002095,
"volume": 28.48281614597132,
"volume_molar": 8.576376403612,
"formula_full": "Li1 Pd1",
"formula_reduced": "LiPd",
"formula_anonymous": "AB",
"energy": -7.96421916,
"energy_per_atom": -3.98210958,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.96421916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.094000Z",
"spacegroup": 187
},
{
"id": "mp-974421",
"created_at": "2022-09-04T14:42:10.190777Z",
"structure_string": "Ir1 Ru1\n1.0\n1.372530 -2.377292 0.000000\n1.372530 2.377292 0.000000\n0.000000 0.000000 4.363817\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.500000 Ir\n0.666667 0.333333 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.10176799806812,
"density_atomic": 0.07023103933336323,
"volume": 28.477437027617796,
"volume_molar": 8.57475671321752,
"formula_full": "Ir1 Ru1",
"formula_reduced": "IrRu",
"formula_anonymous": "AB",
"energy": -18.19942888,
"energy_per_atom": -9.09971444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.19942888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.570000Z",
"spacegroup": 187
},
{
"id": "mp-1217422",
"created_at": "2022-09-04T14:45:37.010456Z",
"structure_string": "Tc1 Rh1\n1.0\n1.372489 -2.377221 0.000000\n1.372489 2.377221 0.000000\n0.000000 0.000000 4.363872\nTc Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"Rh"
],
"chemical_system": "Rh-Tc",
"density": 11.715490979565372,
"density_atomic": 0.07023434975730812,
"volume": 28.476094772869928,
"volume_molar": 8.574352550866147,
"formula_full": "Tc1 Rh1",
"formula_reduced": "TcRh",
"formula_anonymous": "AB",
"energy": -17.93582711,
"energy_per_atom": -8.967913555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.93582711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.359000Z",
"spacegroup": 187
},
{
"id": "mp-1187910",
"created_at": "2022-09-04T14:40:18.128725Z",
"structure_string": "Zn1 Os1\n1.0\n1.378981 -2.388465 0.000000\n1.378981 2.388465 0.000000\n0.000000 0.000000 4.322137\nZn Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Os"
],
"chemical_system": "Os-Zn",
"density": 14.909755412047351,
"density_atomic": 0.07024643800010953,
"volume": 28.471194510914298,
"volume_molar": 8.572877047503264,
"formula_full": "Zn1 Os1",
"formula_reduced": "ZnOs",
"formula_anonymous": "AB",
"energy": -12.0329826,
"energy_per_atom": -6.0164913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.0329826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0124687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.979000Z",
"spacegroup": 187
},
{
"id": "mp-1216229",
"created_at": "2022-09-04T14:40:58.322690Z",
"structure_string": "V1 Re1\n1.0\n-1.521970 -1.553706 1.553706\n-1.521970 1.553706 -1.553706\n0.000000 -3.009319 -3.009319\nV Re\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Re"
],
"chemical_system": "Re-V",
"density": 13.834591055750868,
"density_atomic": 0.07026302483343579,
"volume": 28.46447338043249,
"volume_molar": 8.570853267811875,
"formula_full": "V1 Re1",
"formula_reduced": "VRe",
"formula_anonymous": "AB",
"energy": -22.05716005,
"energy_per_atom": -11.028580025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05716005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.421000Z",
"spacegroup": 65
},
{
"id": "mp-10634",
"created_at": "2022-09-04T14:46:37.322708Z",
"structure_string": "Cu1 F1\n1.0\n0.000000 2.423314 2.423314\n2.423314 0.000000 2.423314\n2.423314 2.423314 0.000000\nCu F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.81590221017716,
"density_atomic": 0.07027015734993998,
"volume": 28.461584197686562,
"volume_molar": 8.569983314553008,
"formula_full": "Cu1 F1",
"formula_reduced": "CuF",
"formula_anonymous": "AB",
"energy": -8.04733481,
"energy_per_atom": -4.023667405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.58533481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0210984,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.641000Z",
"spacegroup": 216
},
{
"id": "mp-1062345",
"created_at": "2022-09-04T14:43:13.996334Z",
"structure_string": "Li2 N1\n1.0\n0.000000 2.422472 2.422472\n2.422472 0.000000 2.422472\n2.422472 2.422472 0.000000\nLi N\n2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.628812428235648,
"density_atomic": 0.10551518411968536,
"volume": 28.431926883595395,
"volume_molar": 5.707368859034654,
"formula_full": "Li2 N1",
"formula_reduced": "Li2N",
"formula_anonymous": "AB2",
"energy": -12.76567624,
"energy_per_atom": -4.255225413333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40467624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0041203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.285000Z",
"spacegroup": 225
}
]
}