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=117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=115",
"results": [
{
"id": "mp-999517",
"created_at": "2022-09-04T14:45:24.122581Z",
"structure_string": "Mn2 N2\n1.0\n1.475381 -2.555436 0.000000\n1.475381 2.555436 0.000000\n0.000000 0.000000 5.279154\nMn N\n2 2\ndirect\n0.333333 0.666667 0.487772 Mn\n0.666667 0.333333 0.987772 Mn\n0.333333 0.666667 0.134228 N\n0.666667 0.333333 0.634228 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 5.7519717049263335,
"density_atomic": 0.10048389697162308,
"volume": 39.80737332599283,
"volume_molar": 5.993140136374954,
"formula_full": "Mn2 N2",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -36.5518825,
"energy_per_atom": -9.137970625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.8298825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9142335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.843000Z",
"spacegroup": 186
},
{
"id": "mp-1597",
"created_at": "2022-09-04T14:43:25.097406Z",
"structure_string": "U1 O2\n1.0\n0.000000 2.710173 2.710173\n2.710173 0.000000 2.710173\n2.710173 2.710173 0.000000\nU O\n1 2\ndirect\n0.500000 0.500000 0.500000 U\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.262541186565187,
"density_atomic": 0.07535294251567558,
"volume": 39.8126456624559,
"volume_molar": 7.991911873577097,
"formula_full": "U1 O2",
"formula_reduced": "UO2",
"formula_anonymous": "AB2",
"energy": -32.43866474,
"energy_per_atom": -10.812888246666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.06466474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.001169,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.270000Z",
"spacegroup": 225
},
{
"id": "mp-1220446",
"created_at": "2022-09-04T14:47:03.449660Z",
"structure_string": "Nb1 V1 N2\n1.0\n5.028767 -1.523703 0.000000\n5.028767 1.523703 0.000000\n4.567089 0.000000 2.598435\nNb V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.243156 0.243156 0.243156 N\n0.756844 0.756844 0.756844 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"V",
"N"
],
"chemical_system": "N-Nb-V",
"density": 7.166769719628813,
"density_atomic": 0.10045147123546473,
"volume": 39.820223146595254,
"volume_molar": 5.995074722085168,
"formula_full": "Nb1 V1 N2",
"formula_reduced": "NbVN2",
"formula_anonymous": "ABC2",
"energy": -40.13115073,
"energy_per_atom": -10.0327876825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.40915073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.031000Z",
"spacegroup": 166
},
{
"id": "mp-985",
"created_at": "2022-09-04T14:40:25.970466Z",
"structure_string": "Tm1 Cu1\n1.0\n3.415110 0.000000 0.000000\n0.000000 3.415110 0.000000\n0.000000 0.000000 3.415110\nTm Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Cu"
],
"chemical_system": "Cu-Tm",
"density": 9.692169405263742,
"density_atomic": 0.050212969481087735,
"volume": 39.83034703321583,
"volume_molar": 11.993197817683708,
"formula_full": "Tm1 Cu1",
"formula_reduced": "TmCu",
"formula_anonymous": "AB",
"energy": -9.16203399,
"energy_per_atom": -4.581016995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.16203399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.429000Z",
"spacegroup": 221
},
{
"id": "mp-1183407",
"created_at": "2022-09-04T14:44:39.547197Z",
"structure_string": "Be3 Si1\n1.0\n-1.705566 1.705566 3.423133\n1.705566 -1.705566 3.423133\n1.705566 1.705566 -3.423133\nBe Si\n3 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Si"
],
"chemical_system": "Be-Si",
"density": 2.298018932239553,
"density_atomic": 0.100424381808135,
"volume": 39.830964632096695,
"volume_molar": 5.996691890526698,
"formula_full": "Be3 Si1",
"formula_reduced": "Be3Si",
"formula_anonymous": "AB3",
"energy": -15.49515101,
"energy_per_atom": -3.8737877525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.56615101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.471000Z",
"spacegroup": 139
},
{
"id": "mp-71",
"created_at": "2022-09-04T14:47:10.254100Z",
"structure_string": "Yb1\n1.0\n-2.151483 2.151483 2.151483\n2.151483 -2.151483 2.151483\n2.151483 2.151483 -2.151483\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.2130983871999454,
"density_atomic": 0.025103036187273695,
"volume": 39.83581876470237,
"volume_molar": 23.989690789088698,
"formula_full": "Yb1",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -1.52241528,
"energy_per_atom": -1.52241528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.52241528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.460000Z",
"spacegroup": 229
},
{
"id": "mp-1224292",
"created_at": "2022-09-04T14:46:42.750793Z",
"structure_string": "Hf1 Ta1\n1.0\n1.712747 -2.399601 0.000000\n1.712747 2.399601 0.000000\n0.000000 0.000000 4.847555\nHf Ta\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ta"
],
"chemical_system": "Hf-Ta",
"density": 14.9791769406944,
"density_atomic": 0.05019321393559375,
"volume": 39.8460238582517,
"volume_molar": 11.997918220035501,
"formula_full": "Hf1 Ta1",
"formula_reduced": "HfTa",
"formula_anonymous": "AB",
"energy": -21.500697,
"energy_per_atom": -10.7503485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.500697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.435000Z",
"spacegroup": 65
},
{
"id": "mp-1183713",
"created_at": "2022-09-04T14:47:36.529275Z",
"structure_string": "Ce1 H3\n1.0\n-1.814847 1.814847 3.024474\n1.814847 -1.814847 3.024474\n1.814847 1.814847 -3.024474\nCe H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"H"
],
"chemical_system": "Ce-H",
"density": 5.965126825277806,
"density_atomic": 0.10038529713252127,
"volume": 39.84647268334022,
"volume_molar": 5.999026682214243,
"formula_full": "Ce1 H3",
"formula_reduced": "CeH3",
"formula_anonymous": "AB3",
"energy": -18.51758723,
"energy_per_atom": -4.6293968075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.98058723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9942423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.608000Z",
"spacegroup": 139
},
{
"id": "mp-1245745",
"created_at": "2022-09-04T14:41:27.274003Z",
"structure_string": "Mg1 Ti1 N2\n1.0\n1.515015 0.874695 5.011850\n-1.515015 0.874695 5.011850\n0.000000 -1.749389 5.011850\nMg Ti N\n1 1 2\ndirect\n0.000000 0.666667 0.333333 Mg\n0.500000 0.166667 0.833333 Ti\n0.756865 0.423531 0.090198 N\n0.243135 0.909802 0.576469 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"N"
],
"chemical_system": "Mg-N-Ti",
"density": 4.174753215010936,
"density_atomic": 0.10037770576449892,
"volume": 39.84948619352386,
"volume_molar": 5.999480376776932,
"formula_full": "Mg1 Ti1 N2",
"formula_reduced": "MgTiN2",
"formula_anonymous": "ABC2",
"energy": -32.14060738,
"energy_per_atom": -8.035151845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.41860738,
"band_gap": 0.3650000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.424000Z",
"spacegroup": 166
},
{
"id": "mp-1183221",
"created_at": "2022-09-04T14:44:02.188212Z",
"structure_string": "B1 Ir1 O3\n1.0\n3.415662 0.000000 0.000000\n0.000000 3.415662 0.000000\n0.000000 0.000000 3.415662\nB Ir O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"Ir",
"O"
],
"chemical_system": "B-Ir-O",
"density": 10.460284216710495,
"density_atomic": 0.1254715722191669,
"volume": 39.84966404394991,
"volume_molar": 4.799605722227543,
"formula_full": "B1 Ir1 O3",
"formula_reduced": "BIrO3",
"formula_anonymous": "ABC3",
"energy": -31.82924774,
"energy_per_atom": -6.365849548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.76824774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.268000Z",
"spacegroup": 221
},
{
"id": "mp-2163",
"created_at": "2022-09-04T14:47:58.678529Z",
"structure_string": "Ho1 Rh1\n1.0\n3.415678 0.000000 0.000000\n0.000000 3.415678 0.000000\n0.000000 0.000000 3.415678\nHo Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Rh"
],
"chemical_system": "Ho-Rh",
"density": 11.160585746822436,
"density_atomic": 0.05018792359785259,
"volume": 39.85022405042425,
"volume_molar": 11.999182927459609,
"formula_full": "Ho1 Rh1",
"formula_reduced": "HoRh",
"formula_anonymous": "AB",
"energy": -13.77694076,
"energy_per_atom": -6.88847038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77694076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.702000Z",
"spacegroup": 221
},
{
"id": "mp-1183416",
"created_at": "2022-09-04T14:40:20.852962Z",
"structure_string": "Be1 Cr1 Fe2\n1.0\n0.000000 2.711549 2.711549\n2.711549 0.000000 2.711549\n2.711549 2.711549 0.000000\nBe Cr Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Fe"
],
"chemical_system": "Be-Cr-Fe",
"density": 7.192083953520069,
"density_atomic": 0.10031771350407011,
"volume": 39.87331708709361,
"volume_molar": 6.003068201664772,
"formula_full": "Be1 Cr1 Fe2",
"formula_reduced": "BeCrFe2",
"formula_anonymous": "ABC2",
"energy": -30.77162251,
"energy_per_atom": -7.6929056275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.77162251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.281000Z",
"spacegroup": 225
}
]
}