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=-id&page=12191",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12189",
"results": [
{
"id": "mp-1001788",
"created_at": "2022-09-04T14:42:02.035472Z",
"structure_string": "Zr1 B6\n1.0\n4.058774 0.000000 0.000000\n0.000000 4.058774 0.000000\n0.000000 0.000000 4.058774\nZr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.197614 0.500000 0.500000 B\n0.500000 0.500000 0.802386 B\n0.500000 0.500000 0.197614 B\n0.500000 0.197614 0.500000 B\n0.500000 0.802386 0.500000 B\n0.802386 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.876498042977305,
"density_atomic": 0.10469198420859076,
"volume": 66.86280762482289,
"volume_molar": 5.7522462732212105,
"formula_full": "Zr1 B6",
"formula_reduced": "ZrB6",
"formula_anonymous": "AB6",
"energy": -48.77019037,
"energy_per_atom": -6.967170052857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.77019037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.670000Z",
"spacegroup": 221
},
{
"id": "mp-1001787",
"created_at": "2022-09-04T14:47:22.909788Z",
"structure_string": "Li1 Rh3\n1.0\n-1.348932 2.342230 4.345597\n1.348932 -2.342230 4.345597\n1.348932 2.342230 -4.345597\nLi Rh\n1 3\ndirect\n0.984735 0.000000 0.984735 Li\n0.494548 0.500000 0.994548 Rh\n0.553223 0.244364 0.308859 Rh\n0.064495 0.755636 0.308859 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Rh"
],
"chemical_system": "Li-Rh",
"density": 9.544126209060334,
"density_atomic": 0.07283346219497909,
"volume": 54.919811298984875,
"volume_molar": 8.268370853878134,
"formula_full": "Li1 Rh3",
"formula_reduced": "LiRh3",
"formula_anonymous": "AB3",
"energy": -24.56131827,
"energy_per_atom": -6.1403295675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.56131827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.189000Z",
"spacegroup": 44
},
{
"id": "mp-1001786",
"created_at": "2022-09-04T14:42:13.472888Z",
"structure_string": "Li1 Sc1 S2\n1.0\n6.172846 -1.845048 0.000000\n6.172846 1.845048 0.000000\n5.621366 0.000000 3.147774\nLi Sc S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sc\n0.753159 0.753159 0.753159 S\n0.246841 0.246841 0.246841 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"S"
],
"chemical_system": "Li-S-Sc",
"density": 2.6870836128017235,
"density_atomic": 0.05578704277081327,
"volume": 71.70123744384466,
"volume_molar": 10.794873613825379,
"formula_full": "Li1 Sc1 S2",
"formula_reduced": "LiScS2",
"formula_anonymous": "ABC2",
"energy": -24.60691273,
"energy_per_atom": -6.1517281825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.60091273,
"band_gap": 1.5271999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.468000Z",
"spacegroup": 166
},
{
"id": "mp-1001785",
"created_at": "2022-09-04T14:45:05.763677Z",
"structure_string": "Mo1 P1\n1.0\n0.000000 2.479623 2.479623\n2.479623 0.000000 2.479623\n2.479623 2.479623 0.000000\nMo P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"P"
],
"chemical_system": "Mo-P",
"density": 6.911476750069492,
"density_atomic": 0.06559081569541601,
"volume": 30.49207390997236,
"volume_molar": 9.181378057508855,
"formula_full": "Mo1 P1",
"formula_reduced": "MoP",
"formula_anonymous": "AB",
"energy": -16.22162707,
"energy_per_atom": -8.110813535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.22162707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2475254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.326000Z",
"spacegroup": 225
},
{
"id": "mp-1001784",
"created_at": "2022-09-04T14:44:59.675810Z",
"structure_string": "Li1 Ti1 S2\n1.0\n6.194908 -1.743959 0.000000\n6.194908 1.743959 0.000000\n5.703958 0.000000 2.980461\nLi Ti S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.745779 0.745779 0.745779 S\n0.254221 0.254221 0.254221 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 3.0667979065450983,
"density_atomic": 0.06211198668909951,
"volume": 64.39980772184815,
"volume_molar": 9.695617675447611,
"formula_full": "Li1 Ti1 S2",
"formula_reduced": "LiTiS2",
"formula_anonymous": "ABC2",
"energy": -24.70591125,
"energy_per_atom": -6.1764778125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.69991125,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8000444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.263000Z",
"spacegroup": 166
},
{
"id": "mp-1001783",
"created_at": "2022-09-04T14:39:41.564872Z",
"structure_string": "Li1 Sn1 S2\n1.0\n6.400051 -1.901026 0.000000\n6.400051 1.901026 0.000000\n5.835384 0.000000 3.243894\nLi Sn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.753337 0.753337 0.753337 S\n0.246663 0.246663 0.246663 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"S"
],
"chemical_system": "Li-S-Sn",
"density": 3.9923966881037085,
"density_atomic": 0.05067477741992511,
"volume": 78.9347324972604,
"volume_molar": 11.883901748786212,
"formula_full": "Li1 Sn1 S2",
"formula_reduced": "LiSnS2",
"formula_anonymous": "ABC2",
"energy": -18.04349209,
"energy_per_atom": -4.5108730225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.03749209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.121000Z",
"spacegroup": 166
},
{
"id": "mp-1001780",
"created_at": "2022-09-04T14:41:03.120013Z",
"structure_string": "Lu1 Cu1 S2\n1.0\n1.927528 -3.338576 0.000000\n1.927528 3.338576 0.000000\n0.000000 0.000000 6.100458\nLu Cu S\n1 1 2\ndirect\n0.333333 0.666667 0.003090 Lu\n0.666667 0.333333 0.398088 Cu\n0.666667 0.333333 0.773709 S\n0.000000 0.000000 0.268113 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Cu",
"S"
],
"chemical_system": "Cu-Lu-S",
"density": 6.400668442249266,
"density_atomic": 0.05094547216441231,
"volume": 78.51531902758924,
"volume_molar": 11.82075757501122,
"formula_full": "Lu1 Cu1 S2",
"formula_reduced": "LuCuS2",
"formula_anonymous": "ABC2",
"energy": -23.373179,
"energy_per_atom": -5.84329475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.367179,
"band_gap": 1.4584,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010053,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.456000Z",
"spacegroup": 156
},
{
"id": "mp-1001615",
"created_at": "2022-09-04T14:48:25.555580Z",
"structure_string": "Li1 Zr1 Se2\n1.0\n1.870486 -3.239777 0.000000\n1.870486 3.239777 0.000000\n0.000000 0.000000 6.701612\nLi Zr Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.746152 Se\n0.333333 0.666667 0.253848 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Se"
],
"chemical_system": "Li-Se-Zr",
"density": 5.2354544146243445,
"density_atomic": 0.049247153778357707,
"volume": 81.22296809278451,
"volume_molar": 12.228403669993426,
"formula_full": "Li1 Zr1 Se2",
"formula_reduced": "LiZrSe2",
"formula_anonymous": "ABC2",
"energy": -23.81882632,
"energy_per_atom": -5.95470658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87482632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0292529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:15.327000Z",
"spacegroup": 164
},
{
"id": "mp-1001614",
"created_at": "2022-09-04T14:46:56.967807Z",
"structure_string": "Lu1 Co1 C2\n1.0\n2.237954 -2.963585 0.000000\n2.237954 2.963585 0.000000\n0.000000 0.000000 3.433552\nLu Co C\n1 1 2\ndirect\n0.999101 0.000899 0.000000 Lu\n0.616304 0.383696 0.500000 Co\n0.458913 0.849318 0.500000 C\n0.150682 0.541087 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Co",
"C"
],
"chemical_system": "C-Co-Lu",
"density": 9.403610561240681,
"density_atomic": 0.08782493218000463,
"volume": 45.54515330341117,
"volume_molar": 6.856983103223026,
"formula_full": "Lu1 Co1 C2",
"formula_reduced": "LuCoC2",
"formula_anonymous": "ABC2",
"energy": -31.54305648,
"energy_per_atom": -7.88576412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.54305648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.54e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.346000Z",
"spacegroup": 38
},
{
"id": "mp-1001613",
"created_at": "2022-09-04T14:40:18.976347Z",
"structure_string": "Lu2 Ga2\n1.0\n2.116723 -5.303709 0.000000\n2.116723 5.303709 0.000000\n0.000000 0.000000 4.010717\nLu Ga\n2 2\ndirect\n0.861627 0.138373 0.250000 Lu\n0.138373 0.861627 0.750000 Lu\n0.578610 0.421390 0.250000 Ga\n0.421390 0.578610 0.750000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Ga"
],
"chemical_system": "Ga-Lu",
"density": 9.024010319405171,
"density_atomic": 0.044418538053807334,
"volume": 90.05249103774004,
"volume_molar": 13.557719420447725,
"formula_full": "Lu2 Ga2",
"formula_reduced": "LuGa",
"formula_anonymous": "AB",
"energy": -17.53257863,
"energy_per_atom": -4.3831446575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.53257863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.585000Z",
"spacegroup": 63
},
{
"id": "mp-1001612",
"created_at": "2022-09-04T14:47:23.893047Z",
"structure_string": "Lu2 Si2\n1.0\n2.083115 -5.152772 0.000000\n2.083115 5.152772 0.000000\n0.000000 0.000000 3.767661\nLu Si\n2 2\ndirect\n0.859287 0.140713 0.750000 Lu\n0.140713 0.859287 0.250000 Lu\n0.578378 0.421622 0.750000 Si\n0.421622 0.578378 0.250000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Si"
],
"chemical_system": "Lu-Si",
"density": 8.337415518390268,
"density_atomic": 0.04945429368631832,
"volume": 80.88276470737691,
"volume_molar": 12.1771848531446,
"formula_full": "Lu2 Si2",
"formula_reduced": "LuSi",
"formula_anonymous": "AB",
"energy": -22.94911986,
"energy_per_atom": -5.737279965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.09111986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.796000Z",
"spacegroup": 63
},
{
"id": "mp-1001611",
"created_at": "2022-09-04T14:47:30.878193Z",
"structure_string": "Lu1 Tl1 Se2\n1.0\n7.860802 -2.057054 0.000000\n7.860802 2.057054 0.000000\n7.322501 0.000000 3.522023\nLu Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Tl\n0.733155 0.733155 0.733155 Se\n0.266845 0.266845 0.266845 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"Se"
],
"chemical_system": "Lu-Se-Tl",
"density": 7.832622536873429,
"density_atomic": 0.03511763479447923,
"volume": 113.90288735017063,
"volume_molar": 17.148480514828773,
"formula_full": "Lu1 Tl1 Se2",
"formula_reduced": "LuTlSe2",
"formula_anonymous": "ABC2",
"energy": -20.2419441,
"energy_per_atom": -5.060486025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2979441,
"band_gap": 1.2129,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.030000Z",
"spacegroup": 166
}
]
}