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=11497",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11495",
"results": [
{
"id": "mp-1186427",
"created_at": "2022-09-04T14:45:57.955805Z",
"structure_string": "Pd4\n1.0\n1.398849 -2.422877 0.000000\n1.398849 2.422877 0.000000\n0.000000 0.000000 9.148043\nPd\n4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.333333 0.666667 0.250000 Pd\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.399136295945397,
"density_atomic": 0.06450592307867994,
"volume": 62.0098094731715,
"volume_molar": 9.335795028705506,
"formula_full": "Pd4",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy": -20.6926433,
"energy_per_atom": -5.173160825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.6926433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.732000Z",
"spacegroup": 194
},
{
"id": "mp-865930",
"created_at": "2022-09-04T14:46:06.490022Z",
"structure_string": "Ti1 Zn1 Cu2\n1.0\n0.000000 2.996806 2.996806\n2.996806 0.000000 2.996806\n2.996806 2.996806 0.000000\nTi Zn Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Cu"
],
"chemical_system": "Cu-Ti-Zn",
"density": 7.4151486738286865,
"density_atomic": 0.07431117134652784,
"volume": 53.82770756427995,
"volume_molar": 8.103950793505266,
"formula_full": "Ti1 Zn1 Cu2",
"formula_reduced": "TiZnCu2",
"formula_anonymous": "ABC2",
"energy": -18.02023604,
"energy_per_atom": -4.50505901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.02023604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.133000Z",
"spacegroup": 225
},
{
"id": "mp-1178372",
"created_at": "2022-09-04T14:46:02.211039Z",
"structure_string": "Cu1 Ni1 O2\n1.0\n2.738622 1.432366 -0.206352\n-2.738622 1.432366 0.206352\n-2.384173 0.000000 5.196626\nCu Ni O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Ni\n0.302224 0.697777 0.731299 O\n0.697777 0.302224 0.268701 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 6.507024914822641,
"density_atomic": 0.1016252004482181,
"volume": 39.36031596846052,
"volume_molar": 5.925834078003624,
"formula_full": "Cu1 Ni1 O2",
"formula_reduced": "CuNiO2",
"formula_anonymous": "ABC2",
"energy": -23.83014433,
"energy_per_atom": -5.9575360825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.91514433,
"band_gap": 0.1106999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0004452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.080000Z",
"spacegroup": 12
},
{
"id": "mp-1097685",
"created_at": "2022-09-04T14:45:57.962550Z",
"structure_string": "Na1 Y1 In2\n1.0\n-6.202577 6.475940 8.950473\n6.202577 -6.475940 8.950473\n6.202577 6.475940 -8.950473\nNa Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251564 0.251564 In\n0.000000 0.748436 0.748436 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"In"
],
"chemical_system": "In-Na-Y",
"density": 0.3943656280090827,
"density_atomic": 0.0027814997962460025,
"volume": 1438.073087547417,
"volume_molar": 216.5069639094587,
"formula_full": "Na1 Y1 In2",
"formula_reduced": "NaYIn2",
"formula_anonymous": "ABC2",
"energy": -7.25419211,
"energy_per_atom": -1.8135480275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.25419211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0018612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.316000Z",
"spacegroup": 71
},
{
"id": "mp-1096149",
"created_at": "2022-09-04T14:46:06.069573Z",
"structure_string": "Y2 Zn1 Rh1\n1.0\n-5.447928 5.970159 8.432843\n5.447928 -5.970159 8.432843\n5.447928 5.970159 -8.432843\nY Zn Rh\n2 1 1\ndirect\n0.000000 0.280477 0.280477 Y\n0.000000 0.719523 0.719523 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Rh"
],
"chemical_system": "Rh-Y-Zn",
"density": 0.523880591047253,
"density_atomic": 0.0036459333755246653,
"volume": 1097.112752211053,
"volume_molar": 165.17418558514908,
"formula_full": "Y2 Zn1 Rh1",
"formula_reduced": "Y2ZnRh",
"formula_anonymous": "ABC2",
"energy": -14.21186751,
"energy_per_atom": -3.5529668775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21186751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2839693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.142000Z",
"spacegroup": 71
},
{
"id": "mp-979955",
"created_at": "2022-09-04T14:45:57.954378Z",
"structure_string": "Yb3 Mn1\n1.0\n0.000000 3.913083 3.913083\n3.913083 0.000000 3.913083\n3.913083 3.913083 0.000000\nYb Mn\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Mn"
],
"chemical_system": "Mn-Yb",
"density": 7.954588721763829,
"density_atomic": 0.03337896117241923,
"volume": 119.83596431710308,
"volume_molar": 18.0417261306983,
"formula_full": "Yb3 Mn1",
"formula_reduced": "Yb3Mn",
"formula_anonymous": "AB3",
"energy": -12.52062685,
"energy_per_atom": -3.1301567125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.52062685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.360388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.533000Z",
"spacegroup": 225
},
{
"id": "mp-1184882",
"created_at": "2022-09-04T14:46:06.091049Z",
"structure_string": "K3 Al1\n1.0\n-2.899592 2.899592 5.565638\n2.899592 -2.899592 5.565638\n2.899592 2.899592 -5.565638\nK Al\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Al"
],
"chemical_system": "Al-K",
"density": 1.2799581743289028,
"density_atomic": 0.02137033148359131,
"volume": 187.17538392286068,
"volume_molar": 28.179912719762697,
"formula_full": "K3 Al1",
"formula_reduced": "K3Al",
"formula_anonymous": "AB3",
"energy": -5.84636137,
"energy_per_atom": -1.4615903425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84636137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9171985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.304000Z",
"spacegroup": 139
},
{
"id": "mp-1097588",
"created_at": "2022-09-04T14:46:06.351641Z",
"structure_string": "Zr2 Ir1 Au1\n1.0\n-5.148146 5.751564 8.057513\n5.148146 -5.751564 8.057513\n5.148146 5.751564 -8.057513\nZr Ir Au\n2 1 1\ndirect\n0.000000 0.226420 0.226420 Zr\n0.000000 0.773580 0.773580 Zr\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ir",
"Au"
],
"chemical_system": "Au-Ir-Zr",
"density": 0.9946435824047438,
"density_atomic": 0.004191429575396317,
"volume": 954.3283331014295,
"volume_molar": 143.6774888298244,
"formula_full": "Zr2 Ir1 Au1",
"formula_reduced": "Zr2IrAu",
"formula_anonymous": "ABC2",
"energy": -19.12859816,
"energy_per_atom": -4.78214954,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12859816,
"band_gap": 0.0703,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0544639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.179000Z",
"spacegroup": 71
},
{
"id": "mp-1217332",
"created_at": "2022-09-04T14:46:06.128403Z",
"structure_string": "Th2 C1 N1\n1.0\n6.175765 -1.871878 0.000000\n6.175765 1.871878 0.000000\n5.608398 0.000000 3.192158\nTh C N\n2 1 1\ndirect\n0.249605 0.249605 0.249605 Th\n0.750395 0.750395 0.750395 Th\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"C",
"N"
],
"chemical_system": "C-N-Th",
"density": 11.026695479117702,
"density_atomic": 0.05419725795668578,
"volume": 73.80447186455048,
"volume_molar": 11.111522957144565,
"formula_full": "Th2 C1 N1",
"formula_reduced": "Th2CN",
"formula_anonymous": "ABC2",
"energy": -36.52686379,
"energy_per_atom": -9.1317159475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.16586379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.003000Z",
"spacegroup": 166
},
{
"id": "mp-1186047",
"created_at": "2022-09-04T14:46:04.250165Z",
"structure_string": "Na3 In1\n1.0\n0.000000 3.904430 3.904430\n3.904430 0.000000 3.904430\n3.904430 3.904430 0.000000\nNa In\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"In"
],
"chemical_system": "In-Na",
"density": 2.563667482334818,
"density_atomic": 0.033601376781101665,
"volume": 119.04274119653662,
"volume_molar": 17.92230359854486,
"formula_full": "Na3 In1",
"formula_reduced": "Na3In",
"formula_anonymous": "AB3",
"energy": -6.91175024,
"energy_per_atom": -1.72793756,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.91175024,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.533000Z",
"spacegroup": 225
},
{
"id": "mp-1185983",
"created_at": "2022-09-04T14:45:57.986944Z",
"structure_string": "Mg1 Ta3\n1.0\n-2.139876 2.139876 4.053515\n2.139876 -2.139876 4.053515\n2.139876 2.139876 -4.053515\nMg Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ta\n0.750000 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ta"
],
"chemical_system": "Mg-Ta",
"density": 12.684606550893623,
"density_atomic": 0.053875461050984966,
"volume": 74.2453042993842,
"volume_molar": 11.17789183149812,
"formula_full": "Mg1 Ta3",
"formula_reduced": "MgTa3",
"formula_anonymous": "AB3",
"energy": -35.94541341,
"energy_per_atom": -8.9863533525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.94541341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.928000Z",
"spacegroup": 139
},
{
"id": "mp-1097168",
"created_at": "2022-09-04T14:45:56.694323Z",
"structure_string": "Al2 Pd1 Pt1\n1.0\n-4.702778 5.222083 7.381750\n4.702778 -5.222083 7.381750\n4.702778 5.222083 -7.381750\nAl Pd Pt\n2 1 1\ndirect\n0.000000 0.253006 0.253006 Al\n0.000000 0.746994 0.746994 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Pd",
"Pt"
],
"chemical_system": "Al-Pd-Pt",
"density": 0.8140121899718193,
"density_atomic": 0.005516230677309225,
"volume": 725.1328368941905,
"volume_molar": 109.17130033687341,
"formula_full": "Al2 Pd1 Pt1",
"formula_reduced": "Al2PdPt",
"formula_anonymous": "ABC2",
"energy": -13.81101978,
"energy_per_atom": -3.452754945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.81101978,
"band_gap": 1.0162999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.709000Z",
"spacegroup": 71
}
]
}