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=157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=155",
"results": [
{
"id": "mp-1418",
"created_at": "2022-09-04T14:40:29.736884Z",
"structure_string": "Fe1 Ni3\n1.0\n3.537396 0.000000 0.000000\n0.000000 3.537396 0.000000\n0.000000 0.000000 3.537396\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.700535754337515,
"density_atomic": 0.09036680967508522,
"volume": 44.26403913540868,
"volume_molar": 6.664106856989495,
"formula_full": "Fe1 Ni3",
"formula_reduced": "FeNi3",
"formula_anonymous": "AB3",
"energy": -26.16946867,
"energy_per_atom": -6.5423671675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.16946867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7135299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.214000Z",
"spacegroup": 221
},
{
"id": "mp-1207078",
"created_at": "2022-09-04T14:44:08.922931Z",
"structure_string": "Ca1 Ni1 H3\n1.0\n3.537694 0.000000 0.000000\n0.000000 3.537694 0.000000\n0.000000 0.000000 3.537694\nCa Ni H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"H"
],
"chemical_system": "Ca-H-Ni",
"density": 3.817822100997791,
"density_atomic": 0.1129299690928169,
"volume": 44.27522685223185,
"volume_molar": 5.332632965701439,
"formula_full": "Ca1 Ni1 H3",
"formula_reduced": "CaNiH3",
"formula_anonymous": "ABC3",
"energy": -20.77690845,
"energy_per_atom": -4.1553816900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.23990845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041584,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.081000Z",
"spacegroup": 221
},
{
"id": "mp-2086",
"created_at": "2022-09-04T14:39:08.352142Z",
"structure_string": "Pu1 S1\n1.0\n0.000000 2.807918 2.807918\n2.807918 0.000000 2.807918\n2.807918 2.807918 0.000000\nPu S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"S"
],
"chemical_system": "Pu-S",
"density": 10.353261624506704,
"density_atomic": 0.045169651241143964,
"volume": 44.27751698419684,
"volume_molar": 13.332271989106204,
"formula_full": "Pu1 S1",
"formula_reduced": "PuS",
"formula_anonymous": "AB",
"energy": -22.45499752,
"energy_per_atom": -11.22749876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.95199752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6127769,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.698000Z",
"spacegroup": 225
},
{
"id": "mp-1245787",
"created_at": "2022-09-04T14:46:32.686053Z",
"structure_string": "Mn1 Ni2 N2\n1.0\n2.743785 0.000396 -0.000426\n-1.371550 2.376263 -0.000182\n0.001534 0.000368 6.790889\nMn Ni N\n1 2 2\ndirect\n0.999999 0.999996 0.499995 Mn\n0.666702 0.333325 0.151877 Ni\n0.333299 0.666678 0.848120 Ni\n0.666704 0.333275 0.680234 N\n0.333296 0.666727 0.319773 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"N"
],
"chemical_system": "Mn-N-Ni",
"density": 7.5128644204053385,
"density_atomic": 0.11291784817749594,
"volume": 44.27997947800496,
"volume_molar": 5.333205385329145,
"formula_full": "Mn1 Ni2 N2",
"formula_reduced": "Mn(NiN)2",
"formula_anonymous": "AB2C2",
"energy": -36.81815862,
"energy_per_atom": -7.363631723999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.09615862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7073933,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.181000Z",
"spacegroup": 164
},
{
"id": "mp-1225210",
"created_at": "2022-09-04T14:41:32.326457Z",
"structure_string": "Fe3 Si1\n1.0\n2.835638 0.000000 0.000000\n0.000000 2.835638 0.000000\n0.000000 0.000000 5.507041\nFe Si\n3 1\ndirect\n0.500000 0.500000 0.757765 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.242235 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.335734032422948,
"density_atomic": 0.09033168392155211,
"volume": 44.28125134336885,
"volume_molar": 6.666698215467658,
"formula_full": "Fe3 Si1",
"formula_reduced": "Fe3Si",
"formula_anonymous": "AB3",
"energy": -31.66122675,
"energy_per_atom": -7.9153066875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73222675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0418083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.313000Z",
"spacegroup": 123
},
{
"id": "mp-1184260",
"created_at": "2022-09-04T14:47:12.003782Z",
"structure_string": "Fe3 Cu1\n1.0\n0.000000 2.808019 2.808019\n2.808019 0.000000 2.808019\n2.808019 2.808019 0.000000\nFe Cu\n3 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Cu"
],
"chemical_system": "Cu-Fe",
"density": 8.66529223796541,
"density_atomic": 0.0903295547476368,
"volume": 44.28229510457813,
"volume_molar": 6.666855357390711,
"formula_full": "Fe3 Cu1",
"formula_reduced": "Fe3Cu",
"formula_anonymous": "AB3",
"energy": -28.78541556,
"energy_per_atom": -7.19635389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.78541556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1578922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.997000Z",
"spacegroup": 225
},
{
"id": "mp-1210761",
"created_at": "2022-09-04T14:47:17.067234Z",
"structure_string": "Li2 Ni1 N1\n1.0\n0.000000 0.000000 -3.486911\n-1.914702 -3.316361 0.000000\n-1.914702 3.316361 0.000000\nLi Ni N\n2 1 1\ndirect\n0.000000 0.666667 0.333333 Li\n0.000000 0.333333 0.666667 Li\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"N"
],
"chemical_system": "Li-N-Ni",
"density": 3.2467089949450005,
"density_atomic": 0.09032877964878988,
"volume": 44.28267508486801,
"volume_molar": 6.666912564760503,
"formula_full": "Li2 Ni1 N1",
"formula_reduced": "Li2NiN",
"formula_anonymous": "ABC2",
"energy": -19.68873827,
"energy_per_atom": -4.9221845675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.32773827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.023000Z",
"spacegroup": 191
},
{
"id": "mp-626708",
"created_at": "2022-09-04T14:47:13.168701Z",
"structure_string": "Co1 H2 O2\n1.0\n3.075284 0.000000 0.000000\n1.481483 2.902814 0.000000\n0.626346 0.600757 4.960750\nCo H O\n1 2 2\ndirect\n0.032940 0.969534 0.966167 Co\n0.432037 0.442179 0.572668 H\n0.485426 0.951485 0.354774 H\n0.396377 0.362727 0.768347 O\n0.589317 0.738527 0.219241 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.4852728564451785,
"density_atomic": 0.11290631300486116,
"volume": 44.28450338099984,
"volume_molar": 5.3337502569415385,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy": -29.846530820000005,
"energy_per_atom": -5.969306164000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.83453082,
"band_gap": 2.3773,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9999675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.064000Z",
"spacegroup": 1
},
{
"id": "mp-1221697",
"created_at": "2022-09-04T14:47:21.379214Z",
"structure_string": "Mn3 Si1\n1.0\n2.791201 0.000000 0.000000\n0.000000 2.791201 0.000000\n0.000000 0.000000 5.684334\nMn Si\n3 1\ndirect\n0.000000 0.000000 0.746551 Mn\n0.000000 0.000000 0.253449 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Si"
],
"chemical_system": "Mn-Si",
"density": 7.233003762433924,
"density_atomic": 0.0903229636282919,
"volume": 44.285526507536765,
"volume_molar": 6.6673418564774405,
"formula_full": "Mn3 Si1",
"formula_reduced": "Mn3Si",
"formula_anonymous": "AB3",
"energy": -33.742981060000005,
"energy_per_atom": -8.435745265000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.81398106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1518177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.764000Z",
"spacegroup": 123
},
{
"id": "mp-1225758",
"created_at": "2022-09-04T14:48:12.832148Z",
"structure_string": "Cu3 N1\n1.0\n-1.429689 1.894912 4.086702\n1.429689 -1.894912 4.086702\n1.429689 1.894912 -4.086702\nCu N\n3 1\ndirect\n0.679072 0.679072 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.320928 0.320928 0.000000 Cu\n0.500000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.673367803421798,
"density_atomic": 0.0903225952715654,
"volume": 44.28570711429996,
"volume_molar": 6.667369047461194,
"formula_full": "Cu3 N1",
"formula_reduced": "Cu3N",
"formula_anonymous": "AB3",
"energy": -19.25614652,
"energy_per_atom": -4.81403663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.89514652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:45.103000Z",
"spacegroup": 71
},
{
"id": "mp-12108",
"created_at": "2022-09-04T14:40:59.362385Z",
"structure_string": "V1 Pt2\n1.0\n-1.371877 1.913756 4.217475\n1.371877 -1.913756 4.217475\n1.371877 1.913756 -4.217475\nV Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.660315 0.660315 0.000000 Pt\n0.339685 0.339685 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"Pt"
],
"chemical_system": "Pt-V",
"density": 16.537934212389263,
"density_atomic": 0.06773404409180397,
"volume": 44.29087381721844,
"volume_molar": 8.890862550356266,
"formula_full": "V1 Pt2",
"formula_reduced": "VPt2",
"formula_anonymous": "AB2",
"energy": -22.85710529,
"energy_per_atom": -7.619035096666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.85710529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083645,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.002000Z",
"spacegroup": 71
},
{
"id": "mp-35612",
"created_at": "2022-09-04T14:39:17.280413Z",
"structure_string": "Pu1 O1 F1\n1.0\n0.000000 2.808908 2.808908\n2.808908 0.000000 2.808908\n2.808908 2.808908 0.000000\nPu O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pu",
"O",
"F"
],
"chemical_system": "F-O-Pu",
"density": 10.452191076373326,
"density_atomic": 0.06768286188508066,
"volume": 44.324366855138706,
"volume_molar": 8.897585876650794,
"formula_full": "Pu1 O1 F1",
"formula_reduced": "PuOF",
"formula_anonymous": "ABC",
"energy": -32.09667386,
"energy_per_atom": -10.698891286666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.94767386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0008461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.930000Z",
"spacegroup": 216
}
]
}