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=-nelements&page=12118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12116",
"results": [
{
"id": "mp-1189414",
"created_at": "2022-09-04T14:40:02.381283Z",
"structure_string": "Yb4 Si12\n1.0\n-3.574957 3.574957 5.653575\n3.574957 -3.574957 5.653575\n3.574957 3.574957 -5.653575\nYb Si\n4 12\ndirect\n0.827552 0.827552 0.000000 Yb\n0.172448 0.172448 0.000000 Yb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.208382 0.208382 0.633227 Si\n0.575154 0.575154 0.366773 Si\n0.208382 0.575154 0.000000 Si\n0.575154 0.208382 0.000000 Si\n0.791618 0.791618 0.366773 Si\n0.424846 0.424846 0.633227 Si\n0.791618 0.424846 0.000000 Si\n0.424846 0.791618 0.000000 Si\n0.334240 0.000000 0.334240 Si\n0.665760 0.000000 0.665760 Si\n0.000000 0.665760 0.665760 Si\n0.000000 0.334240 0.334240 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Si"
],
"chemical_system": "Si-Yb",
"density": 5.9131401604526586,
"density_atomic": 0.05535988618914112,
"volume": 289.01793521277887,
"volume_molar": 10.87816680009947,
"formula_full": "Yb4 Si12",
"formula_reduced": "YbSi3",
"formula_anonymous": "AB3",
"energy": -74.12126889999999,
"energy_per_atom": -4.632579306249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.9732689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.675000Z",
"spacegroup": 139
},
{
"id": "mp-30888",
"created_at": "2022-09-04T14:40:04.884194Z",
"structure_string": "Zr2 Zn44\n1.0\n0.000000 7.081644 7.081644\n7.081644 0.000000 7.081644\n7.081644 7.081644 0.000000\nZr Zn\n2 44\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Zr\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.125000 0.125000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.625000 0.625000 Zn\n0.389551 0.389551 0.110449 Zn\n0.139551 0.860449 0.860449 Zn\n0.860449 0.139551 0.139551 Zn\n0.139551 0.139551 0.860449 Zn\n0.139551 0.860449 0.139551 Zn\n0.860449 0.139551 0.860449 Zn\n0.110449 0.389551 0.110449 Zn\n0.110449 0.389551 0.389551 Zn\n0.389551 0.110449 0.110449 Zn\n0.389551 0.110449 0.389551 Zn\n0.860449 0.860449 0.139551 Zn\n0.110449 0.110449 0.389551 Zn\n0.944088 0.682599 0.429224 Zn\n0.305912 0.305912 0.567401 Zn\n0.567401 0.820776 0.305912 Zn\n0.305912 0.820776 0.305912 Zn\n0.820776 0.305912 0.567401 Zn\n0.820776 0.305912 0.305912 Zn\n0.567401 0.305912 0.305912 Zn\n0.429224 0.682599 0.944088 Zn\n0.944088 0.682599 0.944088 Zn\n0.682599 0.944088 0.429224 Zn\n0.944088 0.944088 0.429224 Zn\n0.682599 0.429224 0.944088 Zn\n0.429224 0.944088 0.682599 Zn\n0.944088 0.944088 0.682599 Zn\n0.944088 0.429224 0.944088 Zn\n0.567401 0.305912 0.820776 Zn\n0.305912 0.305912 0.820776 Zn\n0.305912 0.820776 0.567401 Zn\n0.305912 0.567401 0.820776 Zn\n0.820776 0.567401 0.305912 Zn\n0.305912 0.567401 0.305912 Zn\n0.429224 0.944088 0.944088 Zn\n0.682599 0.944088 0.944088 Zn\n0.944088 0.429224 0.682599 Zn\n",
"nsites": 46,
"nelements": 2,
"elements": [
"Zr",
"Zn"
],
"chemical_system": "Zn-Zr",
"density": 7.154862088977098,
"density_atomic": 0.06476279210214278,
"volume": 710.2843856307119,
"volume_molar": 9.29876641282232,
"formula_full": "Zr2 Zn44",
"formula_reduced": "ZrZn22",
"formula_anonymous": "AB22",
"energy": -75.74479803,
"energy_per_atom": -1.6466260441304348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.74479803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.255000Z",
"spacegroup": 227
},
{
"id": "mp-752602",
"created_at": "2022-09-04T14:40:12.127983Z",
"structure_string": "Bi4 Br12\n1.0\n12.729406 0.000000 0.000000\n0.000000 7.421479 0.000000\n0.000000 2.406817 7.136450\nBi Br\n4 12\ndirect\n0.332780 0.480478 0.008885 Bi\n0.832780 0.019522 0.991115 Bi\n0.167220 0.980478 0.008885 Bi\n0.667220 0.519522 0.991115 Bi\n0.184397 0.216916 0.249093 Br\n0.507877 0.286453 0.236070 Br\n0.327428 0.229016 0.782216 Br\n0.827428 0.270984 0.217784 Br\n0.007877 0.213547 0.763930 Br\n0.315603 0.716916 0.249093 Br\n0.684397 0.283084 0.750907 Br\n0.992123 0.786453 0.236070 Br\n0.172572 0.729016 0.782216 Br\n0.672572 0.770984 0.217784 Br\n0.492123 0.713547 0.763930 Br\n0.815603 0.783084 0.750907 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Br"
],
"chemical_system": "Bi-Br",
"density": 4.420556783904416,
"density_atomic": 0.023732263082187278,
"volume": 674.1877057653687,
"volume_molar": 25.37533289237821,
"formula_full": "Bi4 Br12",
"formula_reduced": "BiBr3",
"formula_anonymous": "AB3",
"energy": -53.95826064,
"energy_per_atom": -3.37239129,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.55026064,
"band_gap": 2.8714,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.721000Z",
"spacegroup": 14
},
{
"id": "mp-1186319",
"created_at": "2022-09-04T14:40:13.848337Z",
"structure_string": "Nd2 Eu6\n1.0\n3.832787 -6.638582 0.000000\n3.832787 6.638582 0.000000\n0.000000 0.000000 6.183130\nNd Eu\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.169362 0.338724 0.250000 Eu\n0.830638 0.169362 0.750000 Eu\n0.338724 0.169362 0.750000 Eu\n0.830638 0.661276 0.750000 Eu\n0.169362 0.830638 0.250000 Eu\n0.661276 0.830638 0.250000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Eu"
],
"chemical_system": "Eu-Nd",
"density": 6.3343045906840905,
"density_atomic": 0.02542503765825382,
"volume": 314.6504680752334,
"volume_molar": 23.685867611861774,
"formula_full": "Nd2 Eu6",
"formula_reduced": "NdEu3",
"formula_anonymous": "AB3",
"energy": -70.61820063,
"energy_per_atom": -8.82727507875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.61820063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.1369655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.511000Z",
"spacegroup": 194
},
{
"id": "mp-977403",
"created_at": "2022-09-04T14:40:02.369143Z",
"structure_string": "Na3 Tl1\n1.0\n-2.448945 2.448945 5.110241\n2.448945 -2.448945 5.110241\n2.448945 2.448945 -5.110241\nNa Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.7026518841323703,
"density_atomic": 0.03262875889924785,
"volume": 122.59123959790598,
"volume_molar": 18.45654252003689,
"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy": -6.59692604,
"energy_per_atom": -1.64923151,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.59692604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.847000Z",
"spacegroup": 139
},
{
"id": "mp-382",
"created_at": "2022-09-04T14:41:11.773078Z",
"structure_string": "Th6 As8\n1.0\n-4.450441 4.450441 4.450441\n4.450441 -4.450441 4.450441\n4.450441 4.450441 -4.450441\nTh As\n6 8\ndirect\n0.875000 0.125000 0.750000 Th\n0.375000 0.250000 0.625000 Th\n0.125000 0.750000 0.875000 Th\n0.750000 0.875000 0.125000 Th\n0.250000 0.625000 0.375000 Th\n0.625000 0.375000 0.250000 Th\n0.658016 0.658016 0.658016 As\n0.500000 0.000000 0.341984 As\n0.000000 0.341984 0.500000 As\n0.341984 0.500000 0.000000 As\n0.000000 0.841984 0.500000 As\n0.841984 0.500000 0.000000 As\n0.158016 0.158016 0.158016 As\n0.500000 0.000000 0.841984 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Th",
"As"
],
"chemical_system": "As-Th",
"density": 9.379557128777286,
"density_atomic": 0.0397062525519264,
"volume": 352.58930521562837,
"volume_molar": 15.166731617707972,
"formula_full": "Th6 As8",
"formula_reduced": "Th3As4",
"formula_anonymous": "A3B4",
"energy": -100.51044603,
"energy_per_atom": -7.179317573571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.51044603,
"band_gap": 0.2713000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.639000Z",
"spacegroup": 220
},
{
"id": "mp-1184178",
"created_at": "2022-09-04T14:40:12.128699Z",
"structure_string": "Er3 Pb1\n1.0\n-2.329799 2.329799 5.273689\n2.329799 -2.329799 5.273689\n2.329799 2.329799 -5.273689\nEr Pb\n3 1\ndirect\n0.750000 0.250000 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Pb"
],
"chemical_system": "Er-Pb",
"density": 10.281816021424525,
"density_atomic": 0.034934020917936355,
"volume": 114.50156308649427,
"volume_molar": 17.238613253672217,
"formula_full": "Er3 Pb1",
"formula_reduced": "Er3Pb",
"formula_anonymous": "AB3",
"energy": -18.41474165,
"energy_per_atom": -4.6036854125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.41474165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0438357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.514000Z",
"spacegroup": 139
},
{
"id": "mp-1183380",
"created_at": "2022-09-04T14:41:11.775480Z",
"structure_string": "Ba6 La2\n1.0\n4.310565 -7.466118 0.000000\n4.310565 7.466118 0.000000\n0.000000 0.000000 6.797502\nBa La\n6 2\ndirect\n0.172745 0.345490 0.250000 Ba\n0.654510 0.827255 0.250000 Ba\n0.172745 0.827255 0.250000 Ba\n0.827255 0.654510 0.750000 Ba\n0.345490 0.172745 0.750000 Ba\n0.827255 0.172745 0.750000 Ba\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"La"
],
"chemical_system": "Ba-La",
"density": 4.181506840866934,
"density_atomic": 0.018284437294897312,
"volume": 437.53055513677646,
"volume_molar": 32.93588237293262,
"formula_full": "Ba6 La2",
"formula_reduced": "Ba3La",
"formula_anonymous": "AB3",
"energy": -19.98762003,
"energy_per_atom": -2.49845250375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.98762003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6639184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.764000Z",
"spacegroup": 194
},
{
"id": "mp-1225731",
"created_at": "2022-09-04T14:40:05.210379Z",
"structure_string": "Cu3 S2\n1.0\n-2.455434 -2.455434 0.000000\n0.000000 0.000000 -5.933883\n2.455434 -2.455434 0.000000\nCu S\n3 2\ndirect\n0.500000 0.750000 0.000000 Cu\n0.000000 0.420030 0.000000 Cu\n0.500000 0.079970 0.500000 Cu\n0.000000 0.018419 0.000000 S\n0.500000 0.481581 0.500000 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 5.912463467460496,
"density_atomic": 0.06987864891138086,
"volume": 71.55261410879497,
"volume_molar": 8.617998278182505,
"formula_full": "Cu3 S2",
"formula_reduced": "Cu3S2",
"formula_anonymous": "A2B3",
"energy": -21.92837568,
"energy_per_atom": -4.385675136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.92237568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.330000Z",
"spacegroup": 115
},
{
"id": "mp-973415",
"created_at": "2022-09-04T14:40:04.876780Z",
"structure_string": "Li2 La6\n1.0\n3.687645 -6.387189 0.000000\n3.687645 6.387189 0.000000\n0.000000 0.000000 5.453433\nLi La\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.824952 0.175048 0.750000 La\n0.350095 0.175048 0.750000 La\n0.824952 0.649905 0.750000 La\n0.175048 0.350095 0.250000 La\n0.649905 0.824952 0.250000 La\n0.175048 0.824952 0.250000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"La"
],
"chemical_system": "La-Li",
"density": 5.476902998052349,
"density_atomic": 0.031140898297551664,
"volume": 256.89689242615617,
"volume_molar": 19.33836558746113,
"formula_full": "Li2 La6",
"formula_reduced": "LiLa3",
"formula_anonymous": "AB3",
"energy": -32.27435052,
"energy_per_atom": -4.034293815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.27435052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.325000Z",
"spacegroup": 194
},
{
"id": "mp-1017533",
"created_at": "2022-09-04T14:40:00.762126Z",
"structure_string": "Y2 N2\n1.0\n1.710568 -2.962791 0.000000\n1.710568 2.962791 0.000000\n0.000000 0.000000 6.022020\nY N\n2 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"N"
],
"chemical_system": "N-Y",
"density": 5.599301888732408,
"density_atomic": 0.06553094669859653,
"volume": 61.03986286658769,
"volume_molar": 9.189766153842205,
"formula_full": "Y2 N2",
"formula_reduced": "YN",
"formula_anonymous": "AB",
"energy": -35.654821160000004,
"energy_per_atom": -8.913705290000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.93282116,
"band_gap": 0.2059000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.801000Z",
"spacegroup": 194
},
{
"id": "mp-1210171",
"created_at": "2022-09-04T14:41:11.780402Z",
"structure_string": "Pu8 Ni2\n1.0\n0.000000 5.110898 5.110898\n5.110898 0.000000 5.110898\n5.110898 5.110898 0.000000\nPu Ni\n8 2\ndirect\n0.392581 0.392581 0.392581 Pu\n0.392581 0.392581 0.822258 Pu\n0.392581 0.822258 0.392581 Pu\n0.857419 0.857419 0.427742 Pu\n0.857419 0.857419 0.857419 Pu\n0.822258 0.392581 0.392581 Pu\n0.857419 0.427742 0.857419 Pu\n0.427742 0.857419 0.857419 Pu\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Ni"
],
"chemical_system": "Ni-Pu",
"density": 12.86972109719606,
"density_atomic": 0.037452288772712665,
"volume": 267.00637872059485,
"volume_molar": 16.079499964732907,
"formula_full": "Pu8 Ni2",
"formula_reduced": "Pu4Ni",
"formula_anonymous": "AB4",
"energy": -121.05428382,
"energy_per_atom": -12.105428382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.05428382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.7642426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.452000Z",
"spacegroup": 227
}
]
}