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=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12128",
"results": [
{
"id": "mp-2602",
"created_at": "2022-09-04T14:42:55.787800Z",
"structure_string": "Nd1 As1\n1.0\n0.000000 3.023318 3.023318\n3.023318 0.000000 3.023318\n3.023318 3.023318 0.000000\nNd As\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"As"
],
"chemical_system": "As-Nd",
"density": 6.584700681409538,
"density_atomic": 0.03618666090502231,
"volume": 55.26898448158344,
"volume_molar": 16.641880210517556,
"formula_full": "Nd1 As1",
"formula_reduced": "NdAs",
"formula_anonymous": "AB",
"energy": -12.43377586,
"energy_per_atom": -6.21688793,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.43377586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004993,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.285000Z",
"spacegroup": 225
},
{
"id": "mp-1226232",
"created_at": "2022-09-04T14:43:02.051850Z",
"structure_string": "Cr1 Ni1\n1.0\n4.209575 -1.244493 0.000000\n4.209575 1.244493 0.000000\n3.841661 0.000000 2.123894\nCr Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.259656373848346,
"density_atomic": 0.08987449275628726,
"volume": 22.253254941014262,
"volume_molar": 6.700611681147669,
"formula_full": "Cr1 Ni1",
"formula_reduced": "CrNi",
"formula_anonymous": "AB",
"energy": -15.12956743,
"energy_per_atom": -7.564783715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12956743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.263000Z",
"spacegroup": 166
},
{
"id": "mp-8454",
"created_at": "2022-09-04T14:43:06.726249Z",
"structure_string": "K1 F1\n1.0\n3.258955 0.000000 0.000000\n0.000000 3.258955 0.000000\n0.000000 0.000000 3.258955\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.787183065200986,
"density_atomic": 0.05778231060907796,
"volume": 34.612669152863326,
"volume_molar": 10.422118285892646,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.687677599999999,
"energy_per_atom": -4.3438387999999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2256776,
"band_gap": 6.274699999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.477000Z",
"spacegroup": 221
},
{
"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-1009129",
"created_at": "2022-09-04T14:43:05.535841Z",
"structure_string": "Mg1 O1\n1.0\n1.469010 -2.544401 0.000000\n1.469010 2.544401 0.000000\n0.000000 0.000000 2.679680\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.34101416919779,
"density_atomic": 0.09984050185595919,
"volume": 20.031950589405273,
"volume_molar": 6.031761307338177,
"formula_full": "Mg1 O1",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy": -11.98005565,
"energy_per_atom": -5.990027825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.29305565,
"band_gap": 3.0483,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.328000Z",
"spacegroup": 187
},
{
"id": "mp-1223797",
"created_at": "2022-09-04T14:43:00.254225Z",
"structure_string": "Ho1 Th1\n1.0\n5.874695 -1.773930 0.000000\n5.874695 1.773930 0.000000\n5.339037 0.000000 3.025483\nHo Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Th"
],
"chemical_system": "Ho-Th",
"density": 10.45342234538784,
"density_atomic": 0.03171637036149316,
"volume": 63.058918066747,
"volume_molar": 18.987484038562876,
"formula_full": "Ho1 Th1",
"formula_reduced": "HoTh",
"formula_anonymous": "AB",
"energy": -11.94865528,
"energy_per_atom": -5.97432764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.94865528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.671000Z",
"spacegroup": 166
},
{
"id": "mp-1009753",
"created_at": "2022-09-04T14:42:59.806163Z",
"structure_string": "Sc1 Ge1\n1.0\n0.000000 3.113500 3.113500\n3.113500 0.000000 3.113500\n3.113500 3.113500 0.000000\nSc Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ge"
],
"chemical_system": "Ge-Sc",
"density": 3.2349287240932387,
"density_atomic": 0.03313243768505996,
"volume": 60.363804770750015,
"volume_molar": 18.175966456930805,
"formula_full": "Sc1 Ge1",
"formula_reduced": "ScGe",
"formula_anonymous": "AB",
"energy": -10.45199124,
"energy_per_atom": -5.22599562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45199124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.124000Z",
"spacegroup": 216
},
{
"id": "mp-1009696",
"created_at": "2022-09-04T14:42:55.868156Z",
"structure_string": "Rh1 C1\n1.0\n0.000000 2.300725 2.300725\n2.300725 0.000000 2.300725\n2.300726 2.300725 0.000000\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"C"
],
"chemical_system": "C-Rh",
"density": 7.834406991237518,
"density_atomic": 0.08211183747576893,
"volume": 24.35702404772268,
"volume_molar": 7.334071365504546,
"formula_full": "Rh1 C1",
"formula_reduced": "RhC",
"formula_anonymous": "AB",
"energy": -15.47165507,
"energy_per_atom": -7.735827535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.47165507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.027000Z",
"spacegroup": 216
},
{
"id": "mp-1220316",
"created_at": "2022-09-04T14:42:55.686047Z",
"structure_string": "Nb1 W1\n1.0\n1.623335 -2.294311 0.000000\n1.623335 2.294311 0.000000\n0.000000 0.000000 4.593246\nNb W\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"W"
],
"chemical_system": "Nb-W",
"density": 13.431388320259298,
"density_atomic": 0.058454756369188156,
"volume": 34.21449552143223,
"volume_molar": 10.302225403122723,
"formula_full": "Nb1 W1",
"formula_reduced": "NbW",
"formula_anonymous": "AB",
"energy": -23.14246864,
"energy_per_atom": -11.57123432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.14246864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.715000Z",
"spacegroup": 65
},
{
"id": "mp-1009494",
"created_at": "2022-09-04T14:42:55.943445Z",
"structure_string": "Np1 N1\n1.0\n0.000000 2.625000 2.625000\n2.625000 0.000000 2.625000\n2.625000 2.625000 0.000000\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 11.5216981341169,
"density_atomic": 0.05528560630601447,
"volume": 36.17578125,
"volume_molar": 10.892782339523439,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy": -23.41452209,
"energy_per_atom": -11.707261045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.05352209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9818491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.922000Z",
"spacegroup": 216
},
{
"id": "mp-20848",
"created_at": "2022-09-04T14:42:56.130847Z",
"structure_string": "Tm1 In1\n1.0\n3.722672 0.000000 0.000000\n0.000000 3.722672 0.000000\n0.000000 0.000000 3.722672\nTm In\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"In"
],
"chemical_system": "In-Tm",
"density": 9.133222374113894,
"density_atomic": 0.03876731092124542,
"volume": 51.58985631123442,
"volume_molar": 15.534068824721402,
"formula_full": "Tm1 In1",
"formula_reduced": "TmIn",
"formula_anonymous": "AB",
"energy": -8.03508029,
"energy_per_atom": -4.017540145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.03508029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.072000Z",
"spacegroup": 221
},
{
"id": "mp-12599",
"created_at": "2022-09-04T14:42:55.953729Z",
"structure_string": "Pr1 Tl1\n1.0\n3.941542 0.000000 0.000000\n0.000000 3.941542 0.000000\n0.000000 0.000000 3.941542\nPr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Tl"
],
"chemical_system": "Pr-Tl",
"density": 9.363448308005962,
"density_atomic": 0.03266115357456211,
"volume": 61.234824282436996,
"volume_molar": 18.43823656213508,
"formula_full": "Pr1 Tl1",
"formula_reduced": "PrTl",
"formula_anonymous": "AB",
"energy": -7.93138344,
"energy_per_atom": -3.96569172,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.93138344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020871,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.030000Z",
"spacegroup": 221
}
]
}