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=chemical_system&page=12131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12129",
"results": [
{
"id": "mp-1216014",
"created_at": "2022-09-04T14:46:39.178172Z",
"structure_string": "Zr2 U6 S12\n1.0\n0.000000 3.699273 0.000000\n0.000000 0.000000 10.506100\n10.391046 0.000000 0.000000\nZr U S\n2 6 12\ndirect\n0.750000 0.472818 0.692577 Zr\n0.750000 0.027182 0.192577 Zr\n0.250000 0.507894 0.311040 U\n0.250000 0.992106 0.811041 U\n0.250000 0.178879 0.485259 U\n0.250000 0.321121 0.985259 U\n0.750000 0.814274 0.511550 U\n0.750000 0.685726 0.011550 U\n0.250000 0.293879 0.724200 S\n0.250000 0.206121 0.224200 S\n0.750000 0.696619 0.277623 S\n0.750000 0.803381 0.777623 S\n0.250000 0.622468 0.558578 S\n0.250000 0.877532 0.058578 S\n0.750000 0.370888 0.451800 S\n0.750000 0.129112 0.951800 S\n0.750000 0.053652 0.623639 S\n0.750000 0.446348 0.123639 S\n0.250000 0.946449 0.363732 S\n0.250000 0.553551 0.863732 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 8.204690494403662,
"density_atomic": 0.049523669353843024,
"volume": 403.84729687740725,
"volume_molar": 12.160126336706274,
"formula_full": "Zr2 U6 S12",
"formula_reduced": "Zr(US2)3",
"formula_anonymous": "AB3C6",
"energy": -169.50594139999998,
"energy_per_atom": -8.47529707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.46994139999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.09076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.252000Z",
"spacegroup": 26
},
{
"id": "mp-1215176",
"created_at": "2022-09-04T14:42:39.595864Z",
"structure_string": "Zr1 U1 S2\n1.0\n6.157110 -1.889355 0.000000\n6.157110 1.889355 0.000000\n5.577348 0.000000 3.220692\nZr U S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.247575 0.247575 0.247575 S\n0.752425 0.752425 0.752425 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 8.717559416632806,
"density_atomic": 0.05338144446465005,
"volume": 74.93240469820664,
"volume_molar": 11.281337214447143,
"formula_full": "Zr1 U1 S2",
"formula_reduced": "ZrUS2",
"formula_anonymous": "ABC2",
"energy": -34.76758296,
"energy_per_atom": -8.69189574,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.76158296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.97018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05Z",
"spacegroup": 166
},
{
"id": "mp-1197354",
"created_at": "2022-09-04T14:39:16.788626Z",
"structure_string": "Zr4 U8 S20\n1.0\n7.250090 0.000000 0.000000\n0.000000 7.773576 0.000000\n0.000000 0.000000 11.449489\nZr U S\n4 8 20\ndirect\n0.081070 0.750000 0.493903 Zr\n0.418930 0.750000 0.993903 Zr\n0.918930 0.250000 0.506097 Zr\n0.581070 0.250000 0.006097 Zr\n0.529522 0.499436 0.321013 U\n0.970478 0.000564 0.821013 U\n0.470478 0.999436 0.678987 U\n0.029522 0.500564 0.178987 U\n0.470478 0.500564 0.678987 U\n0.029522 0.999436 0.178987 U\n0.529522 0.000564 0.321013 U\n0.970478 0.499436 0.821013 U\n0.833910 0.959095 0.591663 S\n0.666090 0.540905 0.091663 S\n0.166090 0.459095 0.408337 S\n0.333910 0.040905 0.908337 S\n0.166090 0.040905 0.408337 S\n0.333910 0.459095 0.908337 S\n0.833910 0.540905 0.591663 S\n0.666090 0.959095 0.091663 S\n0.835853 0.750000 0.315486 S\n0.664147 0.750000 0.815486 S\n0.164147 0.250000 0.684514 S\n0.335853 0.250000 0.184514 S\n0.455085 0.750000 0.498223 S\n0.044915 0.750000 0.998223 S\n0.544915 0.250000 0.501777 S\n0.955085 0.250000 0.001777 S\n0.188803 0.750000 0.711943 S\n0.311197 0.750000 0.211943 S\n0.811197 0.250000 0.288057 S\n0.688803 0.250000 0.788057 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 7.489546113079223,
"density_atomic": 0.04959063021103692,
"volume": 645.2831888568752,
"volume_molar": 12.14370685424302,
"formula_full": "Zr4 U8 S20",
"formula_reduced": "ZrU2S5",
"formula_anonymous": "AB2C5",
"energy": -264.37067428,
"energy_per_atom": -8.26158357125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.31067428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.5690711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.040000Z",
"spacegroup": 62
},
{
"id": "mp-541155",
"created_at": "2022-09-04T14:39:14.072627Z",
"structure_string": "V4 S16\n1.0\n5.668264 6.495845 0.000000\n-5.668264 6.495845 0.000000\n0.000000 3.035842 6.645496\nV S\n4 16\ndirect\n0.115617 0.616237 0.883924 V\n0.884383 0.383763 0.116076 V\n0.383763 0.884383 0.616076 V\n0.616237 0.115617 0.383924 V\n0.327311 0.165521 0.461519 S\n0.577808 0.972076 0.730904 S\n0.672689 0.834479 0.538481 S\n0.027924 0.422192 0.769096 S\n0.650104 0.326522 0.042166 S\n0.129918 0.808132 0.561403 S\n0.808132 0.129918 0.061403 S\n0.972076 0.577808 0.230904 S\n0.422192 0.027924 0.269096 S\n0.326522 0.650104 0.542166 S\n0.870082 0.191868 0.438597 S\n0.191868 0.870082 0.938597 S\n0.349896 0.673478 0.957834 S\n0.165521 0.327311 0.961519 S\n0.673478 0.349896 0.457834 S\n0.834479 0.672689 0.038481 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 2.4322466278602928,
"density_atomic": 0.04086832856050822,
"volume": 489.3765099883813,
"volume_molar": 14.735471138937891,
"formula_full": "V4 S16",
"formula_reduced": "VS4",
"formula_anonymous": "AB4",
"energy": -121.55524083,
"energy_per_atom": -6.0777620415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.50724083,
"band_gap": 0.9848,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.549000Z",
"spacegroup": 15
},
{
"id": "mp-690772",
"created_at": "2022-09-04T14:39:58.661654Z",
"structure_string": "V5 S8\n1.0\n3.308779 5.666105 0.000000\n-3.308779 5.666105 0.000000\n0.000000 5.529917 5.711600\nV S\n5 8\ndirect\n0.000000 0.000000 0.000000 V\n0.706857 0.293143 0.500000 V\n0.293143 0.706857 0.500000 V\n0.274401 0.274401 0.491508 V\n0.725599 0.725599 0.508492 V\n0.017182 0.017182 0.289165 S\n0.982818 0.982818 0.710835 S\n0.557605 0.557605 0.219058 S\n0.442395 0.442395 0.780942 S\n0.039120 0.539999 0.247798 S\n0.460001 0.960880 0.752202 S\n0.539999 0.039120 0.247798 S\n0.960880 0.460001 0.752202 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.963904157926391,
"density_atomic": 0.0607020268830624,
"volume": 214.16088831833343,
"volume_molar": 9.92082319030495,
"formula_full": "V5 S8",
"formula_reduced": "V5S8",
"formula_anonymous": "A5B8",
"energy": -94.73502854,
"energy_per_atom": -7.287309887692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.71102854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0463548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.726000Z",
"spacegroup": 12
},
{
"id": "mp-7945",
"created_at": "2022-09-04T14:43:05.193715Z",
"structure_string": "V12 S4\n1.0\n-4.726075 4.726075 2.275016\n4.726075 -4.726075 2.275016\n4.726075 4.726075 -2.275016\nV S\n12 4\ndirect\n0.062465 0.062465 0.600829 V\n0.538364 0.937535 0.000000 V\n0.937535 0.538364 0.000000 V\n0.461636 0.461636 0.399171 V\n0.642388 0.000000 0.642388 V\n0.000000 0.357612 0.357612 V\n0.000000 0.642388 0.642388 V\n0.357612 0.000000 0.357612 V\n0.853584 0.853584 0.182907 V\n0.329323 0.146416 0.000000 V\n0.146416 0.329323 0.000000 V\n0.670677 0.670677 0.817093 V\n0.788749 0.500000 0.288749 S\n0.500000 0.211251 0.711251 S\n0.500000 0.788749 0.288749 S\n0.211251 0.500000 0.711251 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 6.0419297500385305,
"density_atomic": 0.07871804819492215,
"volume": 203.25707213142144,
"volume_molar": 7.650266867755582,
"formula_full": "V12 S4",
"formula_reduced": "V3S",
"formula_anonymous": "AB3",
"energy": -136.25128391,
"energy_per_atom": -8.515705244375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.23928391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.850000Z",
"spacegroup": 121
},
{
"id": "mp-849080",
"created_at": "2022-09-04T14:45:13.274553Z",
"structure_string": "V1 S2\n1.0\n2.325857 0.000000 0.000000\n0.303743 2.344110 0.000000\n0.720973 0.808621 22.243373\nV S\n1 2\ndirect\n0.500306 0.499198 0.500032 V\n0.932262 0.462429 0.189317 S\n0.067433 0.584373 0.810651 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 1.5756335873939755,
"density_atomic": 0.024737716774568954,
"volume": 121.2723076805569,
"volume_molar": 24.343963571411432,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -15.17177881,
"energy_per_atom": -5.057259603333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.16577881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.604000Z",
"spacegroup": 1
},
{
"id": "mp-849060",
"created_at": "2022-09-04T14:45:21.301952Z",
"structure_string": "V1 S2\n1.0\n3.190710 0.000000 0.000000\n1.592765 2.763931 0.000000\n1.261744 0.309795 11.384890\nV S\n1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.122739 0.152187 0.628816 S\n0.877261 0.847813 0.371184 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 1.9031521177730517,
"density_atomic": 0.029879813711167692,
"volume": 100.40223239004796,
"volume_molar": 20.154545869036664,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -20.90435729,
"energy_per_atom": -6.968119096666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.89835729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5885356,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.699000Z",
"spacegroup": 2
},
{
"id": "mp-1013525",
"created_at": "2022-09-04T14:45:25.501412Z",
"structure_string": "V2 S4\n1.0\n1.590128 -2.754182 0.000000\n1.590128 2.754182 0.000000\n0.000000 0.000000 14.429642\nV S\n2 4\ndirect\n0.666667 0.333333 0.750000 V\n0.333333 0.666667 0.250000 V\n0.333333 0.666667 0.853386 S\n0.666667 0.333333 0.353386 S\n0.333333 0.666667 0.646614 S\n0.666667 0.333333 0.146614 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.023685343583459,
"density_atomic": 0.047472376981184436,
"volume": 126.3892895520712,
"volume_molar": 12.685568203982836,
"formula_full": "V2 S4",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -41.92332042,
"energy_per_atom": -6.98722007,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.91132042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9934707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.668000Z",
"spacegroup": 194
},
{
"id": "mp-1214",
"created_at": "2022-09-04T14:40:18.602177Z",
"structure_string": "V2 S2\n1.0\n1.577722 -2.732694 0.000000\n1.577722 2.732694 0.000000\n0.000000 0.000000 6.455413\nV S\n2 2\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.952399628510783,
"density_atomic": 0.0718595475606614,
"volume": 55.66414117237985,
"volume_molar": 8.380432335614573,
"formula_full": "V2 S2",
"formula_reduced": "VS",
"formula_anonymous": "AB",
"energy": -29.62897813,
"energy_per_atom": -7.4072445325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.62297813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8336444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.729000Z",
"spacegroup": 194
},
{
"id": "mp-1216498",
"created_at": "2022-09-04T14:47:55.496515Z",
"structure_string": "V6 S10\n1.0\n4.868692 -2.814592 -0.008347\n-1.607328 -2.805061 -5.850690\n-0.005414 5.602465 -5.845643\nV S\n6 10\ndirect\n0.787753 0.407824 0.591749 V\n0.412247 0.192176 0.808251 V\n0.600000 0.800000 0.200000 V\n0.994522 0.013555 0.984168 V\n0.205478 0.586445 0.415832 V\n0.100000 0.300000 0.200000 V\n0.716041 0.149816 0.102049 S\n0.916786 0.747157 0.499815 S\n0.116901 0.355937 0.895343 S\n0.315293 0.945058 0.299575 S\n0.519540 0.549101 0.701477 S\n0.884707 0.654942 0.100425 S\n0.083099 0.244063 0.504657 S\n0.283214 0.852843 0.900185 S\n0.483959 0.450184 0.297951 S\n0.680460 0.050899 0.698523 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.911915586708397,
"density_atomic": 0.060183666427791535,
"volume": 265.8528625735494,
"volume_molar": 10.006270999167814,
"formula_full": "V6 S10",
"formula_reduced": "V3S5",
"formula_anonymous": "A3B5",
"energy": -115.36729822,
"energy_per_atom": -7.21045613875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.33729822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6718978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.921000Z",
"spacegroup": 2
},
{
"id": "mp-1424931",
"created_at": "2022-09-04T14:46:24.999135Z",
"structure_string": "V1 S2\n1.0\n7.575833 -1.590119 0.000000\n7.575833 1.590119 0.000000\n7.242077 0.000000 2.733870\nV S\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.398760 0.398760 0.398760 S\n0.601240 0.601240 0.601240 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 2.901008473324276,
"density_atomic": 0.04554632913888022,
"volume": 65.86699865212796,
"volume_molar": 13.222011244061495,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -20.90739389,
"energy_per_atom": -6.969131296666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.90139389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6076121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.397000Z",
"spacegroup": 166
}
]
}