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=nsites&page=110",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=108",
"results": [
{
"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-1406",
"created_at": "2022-09-04T14:43:14.553214Z",
"structure_string": "Mn1 Te1\n1.0\n0.000000 2.884982 2.884982\n2.884982 0.000000 2.884982\n2.884982 2.884982 0.000000\nMn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.311653854342164,
"density_atomic": 0.04164574892032001,
"volume": 48.024109347308425,
"volume_molar": 14.460397318156154,
"formula_full": "Mn1 Te1",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy": -12.80053356,
"energy_per_atom": -6.40026678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37853356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6010175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.014000Z",
"spacegroup": 225
},
{
"id": "mp-1094571",
"created_at": "2022-09-04T14:48:30.896350Z",
"structure_string": "Mg1 Sb1\n1.0\n4.168339 -1.919538 0.000000\n4.168339 1.919538 0.000000\n3.284384 0.000000 3.205074\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.728979789376031,
"density_atomic": 0.03899439558095259,
"volume": 51.28942172851451,
"volume_molar": 15.443605857405846,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -6.29649233,
"energy_per_atom": -3.148246165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10449233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:01.561000Z",
"spacegroup": 166
},
{
"id": "mp-1184798",
"created_at": "2022-09-04T14:43:14.909158Z",
"structure_string": "In1 Pb1\n1.0\n1.712607 2.976070 0.000000\n-1.712607 2.976070 0.000000\n0.000000 0.822089 5.897170\nIn Pb\n1 1\ndirect\n0.667976 0.667976 0.248412 In\n0.332016 0.332016 0.751587 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pb"
],
"chemical_system": "In-Pb",
"density": 8.895180103503987,
"density_atomic": 0.03327020644023896,
"volume": 60.11384400612199,
"volume_molar": 18.100701511477446,
"formula_full": "In1 Pb1",
"formula_reduced": "InPb",
"formula_anonymous": "AB",
"energy": -6.37923423,
"energy_per_atom": -3.189617115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.37923423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.359000Z",
"spacegroup": 8
},
{
"id": "mp-1009720",
"created_at": "2022-09-04T14:43:18.162036Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.176703 2.176703\n2.176703 0.000000 2.176703\n2.176703 2.176703 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.411988920822578,
"density_atomic": 0.0969622026312764,
"volume": 20.62659413385556,
"volume_molar": 6.210812663673423,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -14.13903804,
"energy_per_atom": -7.06951902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77803804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.325000Z",
"spacegroup": 225
},
{
"id": "mp-256",
"created_at": "2022-09-04T14:48:31.151858Z",
"structure_string": "La1 N1\n1.0\n0.000000 2.654574 2.654574\n2.654574 0.000000 2.654574\n2.654574 2.654574 0.000000\nLa N\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 6.786981166317754,
"density_atomic": 0.053458342698503365,
"volume": 37.412308332858075,
"volume_molar": 11.265109346849613,
"formula_full": "La1 N1",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy": -16.24841847,
"energy_per_atom": -8.124209235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.88741847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001702,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:52.827000Z",
"spacegroup": 225
},
{
"id": "mp-1009489",
"created_at": "2022-09-04T14:39:05.673215Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 3.737975 3.737975\n3.737975 0.000000 3.737975\n3.737975 3.737975 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 3.3870978730583796,
"density_atomic": 0.019146562893598323,
"volume": 104.45739066141748,
"volume_molar": 31.45285549926828,
"formula_full": "Rb1 Te1",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy": -5.33091372,
"energy_per_atom": -2.66545686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.90891372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.648000Z",
"spacegroup": 225
},
{
"id": "mp-22913",
"created_at": "2022-09-04T14:39:05.459960Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.849508 2.849508\n2.849508 0.000000 2.849508\n2.849508 2.849508 0.000000\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 5.147661876586553,
"density_atomic": 0.04322055687194547,
"volume": 46.274276519056215,
"volume_molar": 13.93351033824597,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.771377429999999,
"energy_per_atom": -3.3856887149999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23737743,
"band_gap": 0.4870999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.084000Z",
"spacegroup": 216
},
{
"id": "mp-1352",
"created_at": "2022-09-04T14:43:20.214647Z",
"structure_string": "Zr1 N1\n1.0\n0.000000 2.308812 2.308812\n2.308812 0.000000 2.308812\n2.308812 2.308812 0.000000\nZr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 7.098978292634157,
"density_atomic": 0.08125204250318815,
"volume": 24.614765837074486,
"volume_molar": 7.411679232265089,
"formula_full": "Zr1 N1",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -20.60449199,
"energy_per_atom": -10.302245995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.24349199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.877000Z",
"spacegroup": 225
},
{
"id": "mp-1225902",
"created_at": "2022-09-04T14:39:07.187544Z",
"structure_string": "Cs1 K1\n1.0\n2.941658 -4.090562 0.000000\n2.941658 4.090562 0.000000\n0.000000 0.000000 7.712267\nCs K\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"K"
],
"chemical_system": "Cs-K",
"density": 1.5388624628247156,
"density_atomic": 0.010775632812941293,
"volume": 185.6039487164081,
"volume_molar": 55.88665523910154,
"formula_full": "Cs1 K1",
"formula_reduced": "CsK",
"formula_anonymous": "AB",
"energy": -1.92327077,
"energy_per_atom": -0.961635385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.92327077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.134000Z",
"spacegroup": 65
},
{
"id": "mp-1001913",
"created_at": "2022-09-04T14:40:42.034805Z",
"structure_string": "Ho1 Bi1\n1.0\n3.883022 0.000000 0.000000\n0.000000 3.883022 0.000000\n0.000000 0.000000 3.883022\nHo Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Bi"
],
"chemical_system": "Bi-Ho",
"density": 10.604921560654413,
"density_atomic": 0.034160202953844115,
"volume": 58.54766152011213,
"volume_molar": 17.62911294214754,
"formula_full": "Ho1 Bi1",
"formula_reduced": "HoBi",
"formula_anonymous": "AB",
"energy": -9.58698856,
"energy_per_atom": -4.79349428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.58698856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.475000Z",
"spacegroup": 221
},
{
"id": "mp-30083",
"created_at": "2022-09-04T14:39:07.505553Z",
"structure_string": "Tl1 Bi1\n1.0\n3.991709 0.000000 0.000000\n0.000000 3.991709 0.000000\n0.000000 0.000000 3.991709\nTl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.792071493296165,
"density_atomic": 0.031445128658889265,
"volume": 63.60285631824302,
"volume_molar": 19.15126767432574,
"formula_full": "Tl1 Bi1",
"formula_reduced": "TlBi",
"formula_anonymous": "AB",
"energy": -6.07762352,
"energy_per_atom": -3.03881176,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07762352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012028,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.977000Z",
"spacegroup": 221
}
]
}