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=1767",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1765",
"results": [
{
"id": "mp-1039481",
"created_at": "2022-09-04T14:40:15.590880Z",
"structure_string": "Ce3 Mg3\n1.0\n1.571130 6.266436 0.000000\n-1.571130 6.266436 0.000000\n0.000000 1.806109 7.793003\nCe Mg\n3 3\ndirect\n0.619091 0.619091 0.299376 Ce\n0.322532 0.322532 0.343980 Ce\n0.948182 0.948182 0.572101 Ce\n0.000214 0.000214 0.986658 Mg\n0.665174 0.665174 0.689661 Mg\n0.278139 0.278139 0.941558 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.337772605465131,
"density_atomic": 0.039100623382769255,
"volume": 153.45023891982402,
"volume_molar": 15.401648973846845,
"formula_full": "Ce3 Mg3",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -22.33259949,
"energy_per_atom": -3.722099915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.33259949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.060000Z",
"spacegroup": 8
},
{
"id": "mp-1219240",
"created_at": "2022-09-04T14:40:14.472720Z",
"structure_string": "Sc1 Pa1 O4\n1.0\n3.735533 0.000000 0.000000\n0.000000 3.735533 0.000000\n0.000000 0.000000 5.212021\nSc Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.751681 O\n0.000000 0.500000 0.248319 O\n0.500000 0.000000 0.248319 O\n0.000000 0.500000 0.751681 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Pa",
"O"
],
"chemical_system": "O-Pa-Sc",
"density": 7.76252751738846,
"density_atomic": 0.0824973387038642,
"volume": 72.72961884913455,
"volume_molar": 7.299800035510625,
"formula_full": "Sc1 Pa1 O4",
"formula_reduced": "ScPaO4",
"formula_anonymous": "ABC4",
"energy": -59.93913124,
"energy_per_atom": -9.989855206666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.19113124,
"band_gap": 2.493500000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.226000Z",
"spacegroup": 123
},
{
"id": "mp-1216524",
"created_at": "2022-09-04T14:40:22.487187Z",
"structure_string": "Tm2 Ga3 Cu1\n1.0\n2.174452 -3.766261 0.000000\n2.174452 3.766261 0.000000\n0.000000 0.000000 7.088718\nTm Ga Cu\n2 3 1\ndirect\n0.333333 0.666667 0.730224 Tm\n0.333333 0.666667 0.260938 Tm\n0.666667 0.333333 0.476132 Ga\n0.666667 0.333333 0.046462 Ga\n0.000000 0.000000 0.948721 Ga\n0.000000 0.000000 0.537522 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Tm",
"density": 8.732451269064175,
"density_atomic": 0.051676526762208894,
"volume": 116.10687435727215,
"volume_molar": 11.653532343052124,
"formula_full": "Tm2 Ga3 Cu1",
"formula_reduced": "Tm2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy": -25.65381455,
"energy_per_atom": -4.275635758333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.65381455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.414000Z",
"spacegroup": 156
},
{
"id": "mp-1018652",
"created_at": "2022-09-04T14:40:18.613249Z",
"structure_string": "K2 Cd2 Sb2\n1.0\n4.852242 0.000000 0.000000\n0.000000 4.852242 0.000000\n0.000000 0.000000 8.408167\nK Cd Sb\n2 2 2\ndirect\n0.000000 0.500000 0.342812 K\n0.500000 0.000000 0.657188 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.788254 Sb\n0.500000 0.000000 0.211746 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Cd",
"Sb"
],
"chemical_system": "Cd-K-Sb",
"density": 4.5844126601630215,
"density_atomic": 0.030308539983417628,
"volume": 197.9640062927054,
"volume_molar": 19.869451855136628,
"formula_full": "K2 Cd2 Sb2",
"formula_reduced": "KCdSb",
"formula_anonymous": "ABC",
"energy": -15.08637428,
"energy_per_atom": -2.5143957133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.70237428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.510000Z",
"spacegroup": 129
},
{
"id": "mp-568752",
"created_at": "2022-09-04T14:40:19.111580Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.307079 3.935745 0.000000\n-2.307079 3.935745 0.000000\n0.000000 2.702858 11.358914\nCa Si Br\n3 1 2\ndirect\n0.023567 0.023567 0.444009 Ca\n0.590760 0.590760 0.857195 Ca\n0.844664 0.844664 0.078907 Ca\n0.217105 0.217105 0.969216 Si\n0.645666 0.645666 0.572587 Br\n0.399241 0.399241 0.321087 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.480409192427467,
"density_atomic": 0.02908673838789106,
"volume": 206.27957387267,
"volume_molar": 20.704077162900614,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy": -22.18804668,
"energy_per_atom": -3.6980077799999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.19104668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.500000Z",
"spacegroup": 8
},
{
"id": "mp-1245601",
"created_at": "2022-09-04T14:40:21.702310Z",
"structure_string": "Na2 Cu2 N2\n1.0\n3.302219 0.000000 0.000000\n-1.651110 2.859329 0.000000\n0.000000 0.000000 8.755716\nNa Cu N\n2 2 2\ndirect\n0.666655 0.333311 0.763750 Na\n0.333345 0.666689 0.263750 Na\n0.999977 0.999954 0.527961 Cu\n0.000023 0.000046 0.027961 Cu\n0.333346 0.666691 0.552929 N\n0.666654 0.333309 0.052929 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Cu",
"N"
],
"chemical_system": "Cu-N-Na",
"density": 4.038936013828593,
"density_atomic": 0.07257542423165744,
"volume": 82.67261353992605,
"volume_molar": 8.297768595575276,
"formula_full": "Na2 Cu2 N2",
"formula_reduced": "NaCuN",
"formula_anonymous": "ABC",
"energy": -26.45211769,
"energy_per_atom": -4.408686281666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.73011769,
"band_gap": 0.2827000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.956000Z",
"spacegroup": 186
},
{
"id": "mp-1039536",
"created_at": "2022-09-04T14:40:15.154703Z",
"structure_string": "Ca3 Mg3\n1.0\n1.843700 -3.193381 0.000000\n1.843700 3.193381 0.000000\n0.000000 0.000000 16.781714\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.805774 Ca\n0.666667 0.333333 0.194226 Ca\n0.000000 0.000000 0.642377 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.357623 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.623058814996659,
"density_atomic": 0.030362948756803707,
"volume": 197.60926542602436,
"volume_molar": 19.83384686459533,
"formula_full": "Ca3 Mg3",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -10.25470916,
"energy_per_atom": -1.7091181933333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.25470916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0710989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.479000Z",
"spacegroup": 187
},
{
"id": "mp-580136",
"created_at": "2022-09-04T14:40:22.191353Z",
"structure_string": "Lu1 Cu5\n1.0\n0.000000 3.487322 3.487322\n3.487322 0.000000 3.487322\n3.487322 3.487322 0.000000\nLu Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Lu\n0.128050 0.623983 0.623983 Cu\n0.623983 0.128050 0.623983 Cu\n0.250000 0.250000 0.250000 Cu\n0.623983 0.623983 0.128050 Cu\n0.623983 0.623983 0.623983 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Cu"
],
"chemical_system": "Cu-Lu",
"density": 9.64545837050102,
"density_atomic": 0.07073675060568758,
"volume": 84.82153828985142,
"volume_molar": 8.513454051020249,
"formula_full": "Lu1 Cu5",
"formula_reduced": "LuCu5",
"formula_anonymous": "AB5",
"energy": -26.236470850000003,
"energy_per_atom": -4.372745141666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.236470850000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.794000Z",
"spacegroup": 216
},
{
"id": "mp-1094906",
"created_at": "2022-09-04T14:48:18.047948Z",
"structure_string": "Ca5 Mg1\n1.0\n1.918080 -9.822382 0.000000\n1.918080 9.822382 0.000000\n0.000000 0.000000 6.146655\nCa Mg\n5 1\ndirect\n0.000776 0.999224 0.000000 Ca\n0.328817 0.671183 0.000000 Ca\n0.669993 0.330007 0.000000 Ca\n0.121189 0.878812 0.500000 Ca\n0.434822 0.565178 0.500000 Ca\n0.777736 0.222264 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.610979950593479,
"density_atomic": 0.025905911642086627,
"volume": 231.6073675729067,
"volume_molar": 23.246202809618396,
"formula_full": "Ca5 Mg1",
"formula_reduced": "Ca5Mg",
"formula_anonymous": "AB5",
"energy": -11.54058379,
"energy_per_atom": -1.9234306316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.54058379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.072000Z",
"spacegroup": 38
},
{
"id": "mp-6098",
"created_at": "2022-09-04T14:48:11.403472Z",
"structure_string": "Er1 Ni2 B2 C1\n1.0\n-1.756144 1.756144 5.217067\n1.756144 -1.756144 5.217067\n1.756144 1.756144 -5.217067\nEr Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.357236 0.357236 0.000000 B\n0.642764 0.642764 0.000000 B\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Er",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Er-Ni",
"density": 8.212015229638553,
"density_atomic": 0.09322761981077068,
"volume": 64.35860973581151,
"volume_molar": 6.459610115782722,
"formula_full": "Er1 Ni2 B2 C1",
"formula_reduced": "ErNi2B2C",
"formula_anonymous": "ABC2D2",
"energy": -41.84324782,
"energy_per_atom": -6.973874636666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.84324782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020747,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.097000Z",
"spacegroup": 139
},
{
"id": "mp-1094639",
"created_at": "2022-09-04T14:48:15.352061Z",
"structure_string": "Mg1 Ga5\n1.0\n1.596159 -7.124899 0.000000\n1.596159 7.124899 0.000000\n0.000000 0.000000 5.005344\nMg Ga\n1 5\ndirect\n0.778672 0.221328 0.500000 Mg\n0.999535 0.000465 0.000000 Ga\n0.334514 0.665486 0.000000 Ga\n0.664770 0.335230 0.000000 Ga\n0.108312 0.891688 0.500000 Ga\n0.447530 0.552470 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 5.439337209852929,
"density_atomic": 0.05270265096561181,
"volume": 113.84626560654353,
"volume_molar": 11.426637274715864,
"formula_full": "Mg1 Ga5",
"formula_reduced": "MgGa5",
"formula_anonymous": "AB5",
"energy": -16.75459124,
"energy_per_atom": -2.7924318733333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.75459124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0497608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:04.140000Z",
"spacegroup": 38
},
{
"id": "mp-1094643",
"created_at": "2022-09-04T14:48:11.471803Z",
"structure_string": "Mg3 Ga3\n1.0\n1.611558 5.600718 0.000000\n-1.611558 5.600718 0.000000\n0.000000 1.743683 6.581985\nMg Ga\n3 3\ndirect\n0.992354 0.992354 0.023842 Mg\n0.949202 0.949202 0.591060 Mg\n0.670509 0.670509 0.665802 Mg\n0.620962 0.620962 0.271832 Ga\n0.326298 0.326298 0.331070 Ga\n0.274008 0.274008 0.949727 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.942312257708137,
"density_atomic": 0.05049806301100998,
"volume": 118.81643853729267,
"volume_molar": 11.92548862455775,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -14.3202371,
"energy_per_atom": -2.386706183333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.3202371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.076000Z",
"spacegroup": 8
}
]
}