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=12157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12155",
"results": [
{
"id": "mp-567379",
"created_at": "2022-09-04T14:48:18.633598Z",
"structure_string": "Bi4\n1.0\n4.658632 0.000000 0.000000\n0.000000 4.656154 0.000000\n0.000000 0.059357 6.456472\nBi\n4\ndirect\n0.250000 0.173683 0.236153 Bi\n0.250000 0.302467 0.734197 Bi\n0.750000 0.697533 0.265803 Bi\n0.750000 0.826317 0.763847 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.9113686866849,
"density_atomic": 0.02856136622195172,
"volume": 140.0493228830796,
"volume_molar": 21.08491839361486,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.31059097,
"energy_per_atom": -3.8276477425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31059097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:00.673000Z",
"spacegroup": 11
},
{
"id": "mp-1008283",
"created_at": "2022-09-04T14:48:16.076003Z",
"structure_string": "Ba2\n1.0\n3.698491 -6.405974 0.000000\n3.698491 6.405974 0.000000\n0.000000 0.000000 4.071332\nBa\n2\ndirect\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 2.364061517729881,
"density_atomic": 0.01036701539390541,
"volume": 192.91955534046622,
"volume_molar": 58.08943588084487,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -2.38228657,
"energy_per_atom": -1.191143285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38228657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5713263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.180000Z",
"spacegroup": 191
},
{
"id": "mp-7755",
"created_at": "2022-09-04T14:48:18.313900Z",
"structure_string": "Se1\n1.0\n2.829635 0.000000 0.000000\n0.000000 2.829635 0.000000\n0.000000 0.000000 2.829635\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 5.787153223762264,
"density_atomic": 0.044137602995476075,
"volume": 22.656418385531627,
"volume_molar": 13.64401406351234,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -3.31467609,
"energy_per_atom": -3.31467609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.31467609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.168000Z",
"spacegroup": 221
},
{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.988924128677636,
"density_atomic": 0.03760012434200997,
"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.00736911,
"energy_per_atom": -1.00736911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.00736911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4090095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.788000Z",
"spacegroup": 229
},
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.91378993596806,
"density_atomic": 0.04785196274638782,
"volume": 167.18227510122128,
"volume_molar": 12.584939915457474,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -87.45485768,
"energy_per_atom": -10.93185721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45485768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.350000Z",
"spacegroup": 65
},
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.10912172706669088,
"density_atomic": 0.0028584297327798594,
"volume": 349.8424287055982,
"volume_molar": 210.68003494853767,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -0.23878791,
"energy_per_atom": -0.23878791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.23878791,
"band_gap": 1.1572999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-137",
"created_at": "2022-09-04T14:39:17.941879Z",
"structure_string": "Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.608375747078466,
"density_atomic": 0.04649563352911399,
"volume": 258.0887513337356,
"volume_molar": 12.952056575869946,
"formula_full": "Ge12",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -53.68365537999999,
"energy_per_atom": -4.473637948333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.68365537999999,
"band_gap": 0.3433000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.185000Z",
"spacegroup": 96
},
{
"id": "mp-557031",
"created_at": "2022-09-04T14:39:18.325993Z",
"structure_string": "S32\n1.0\n5.034567 10.732526 0.000000\n-5.034567 10.732526 0.000000\n0.000000 2.066152 9.436112\nS\n32\ndirect\n0.118012 0.465519 0.138538 S\n0.488889 0.084356 0.307196 S\n0.363732 0.742079 0.042514 S\n0.309290 0.938480 0.077952 S\n0.159861 0.032518 0.251310 S\n0.863994 0.046405 0.313513 S\n0.061520 0.690710 0.422048 S\n0.136006 0.953595 0.686487 S\n0.032518 0.159861 0.751310 S\n0.938480 0.309290 0.577952 S\n0.840139 0.967482 0.748690 S\n0.534481 0.881988 0.361462 S\n0.915644 0.511111 0.192804 S\n0.663091 0.792464 0.529450 S\n0.881988 0.534481 0.861462 S\n0.690710 0.061520 0.922048 S\n0.207536 0.336909 0.970550 S\n0.465519 0.118012 0.638538 S\n0.967482 0.840139 0.248690 S\n0.511111 0.915644 0.692804 S\n0.581941 0.509345 0.690486 S\n0.046405 0.863994 0.813513 S\n0.792464 0.663091 0.029450 S\n0.953595 0.136006 0.186487 S\n0.418059 0.490655 0.309514 S\n0.084356 0.488889 0.807196 S\n0.742079 0.363732 0.542514 S\n0.490655 0.418059 0.809514 S\n0.336909 0.207536 0.470550 S\n0.257921 0.636268 0.457486 S\n0.636268 0.257921 0.957486 S\n0.509345 0.581941 0.190486 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6708719307177318,
"density_atomic": 0.03138071405642426,
"volume": 1019.7346033127936,
"volume_molar": 19.19057912185127,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -130.95916396,
"energy_per_atom": -4.09247387375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.95916396,
"band_gap": 2.0442,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.437000Z",
"spacegroup": 15
},
{
"id": "mp-1983234",
"created_at": "2022-09-04T14:39:14.970650Z",
"structure_string": "U16\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-11.380962 0.000000 0.000000\nU\n16\ndirect\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.000000 U\n0.000000 0.281920 0.500000 U\n0.000000 0.718080 0.500000 U\n0.500000 0.283089 0.122605 U\n0.500000 0.283089 0.877395 U\n0.500000 0.716911 0.877395 U\n0.500000 0.716911 0.122605 U\n0.000000 0.222753 0.248627 U\n0.000000 0.222753 0.751373 U\n0.000000 0.777247 0.751373 U\n0.000000 0.777247 0.248627 U\n0.500000 0.223072 0.376107 U\n0.500000 0.223072 0.623893 U\n0.500000 0.776928 0.623893 U\n0.500000 0.776928 0.376107 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 338.05664467666554,
"volume_molar": 12.723904369351153,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -174.9898787,
"energy_per_atom": -10.93686741875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0739257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.421000Z",
"spacegroup": 47
},
{
"id": "mp-62",
"created_at": "2022-09-04T14:39:17.653326Z",
"structure_string": "Pa1\n1.0\n-1.957702 1.957702 1.589627\n1.957702 -1.957702 1.589627\n1.957702 1.957702 -1.589627\nPa\n1\ndirect\n0.000000 0.000000 0.000000 Pa\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pa"
],
"chemical_system": "Pa",
"density": 15.74273328783167,
"density_atomic": 0.04103473271736948,
"volume": 24.3695994534092,
"volume_molar": 14.675715817324926,
"formula_full": "Pa1",
"formula_reduced": "Pa",
"formula_anonymous": "A",
"energy": -9.4872159,
"energy_per_atom": -9.4872159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.4872159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002274,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.818000Z",
"spacegroup": 139
},
{
"id": "mp-1182070",
"created_at": "2022-09-04T14:39:16.833835Z",
"structure_string": "Bi4\n1.0\n4.610810 0.000000 0.000000\n0.000000 4.732006 0.000000\n0.000000 0.099239 6.500672\nBi\n4\ndirect\n0.250000 0.840253 0.759398 Bi\n0.250000 0.716008 0.262106 Bi\n0.750000 0.283992 0.737894 Bi\n0.750000 0.159747 0.240602 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.786645972368195,
"density_atomic": 0.028201955606485377,
"volume": 141.83413575334302,
"volume_molar": 21.35362825198951,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.32775581,
"energy_per_atom": -3.8319389525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32775581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.681000Z",
"spacegroup": 11
},
{
"id": "mp-1187777",
"created_at": "2022-09-04T14:39:19.200835Z",
"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.528746521824349,
"density_atomic": 0.011598841907831548,
"volume": 344.8620156896178,
"volume_molar": 51.92019003150517,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.12689711,
"energy_per_atom": -0.0317242775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.12689711,
"band_gap": 6.152100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.190000Z",
"spacegroup": 64
}
]
}