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=94",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=92",
"results": [
{
"id": "mp-1215215",
"created_at": "2022-09-04T14:39:06.502108Z",
"structure_string": "Zr1 Se1 S1\n1.0\n-1.874490 -3.246704 0.000181\n-1.874483 3.246700 0.000000\n0.000289 0.000167 -6.282866\nZr Se S\n1 1 1\ndirect\n0.999999 0.999999 0.013137 Zr\n0.666619 0.333310 0.751218 Se\n0.333382 0.666691 0.235645 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Se",
"S"
],
"chemical_system": "S-Se-Zr",
"density": 4.391601687294865,
"density_atomic": 0.039229133689485704,
"volume": 76.47377644753007,
"volume_molar": 15.35119487385996,
"formula_full": "Zr1 Se1 S1",
"formula_reduced": "ZrSeS",
"formula_anonymous": "ABC",
"energy": -21.414199850000003,
"energy_per_atom": -7.138066616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.43919985,
"band_gap": 0.5579999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.323000Z",
"spacegroup": 156
},
{
"id": "mp-1215430",
"created_at": "2022-09-04T14:47:57.442433Z",
"structure_string": "Zn2 Se1 S1\n1.0\n3.958832 0.000000 0.000000\n0.000000 3.958832 0.000000\n0.000000 0.000000 5.590738\nZn Se S\n2 1 1\ndirect\n0.500000 0.000000 0.762987 Zn\n0.000000 0.500000 0.237013 Zn\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.583311076551237,
"density_atomic": 0.04565167395276625,
"volume": 87.62000719050569,
"volume_molar": 13.191500417335934,
"formula_full": "Zn2 Se1 S1",
"formula_reduced": "Zn2SeS",
"formula_anonymous": "ABC2",
"energy": -14.13746484,
"energy_per_atom": -3.53436621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.16246484,
"band_gap": 1.4911,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.746000Z",
"spacegroup": 115
},
{
"id": "mp-1215446",
"created_at": "2022-09-04T14:46:11.429361Z",
"structure_string": "Zn2 Se1 S1\n1.0\n6.563667 -1.979076 0.000000\n6.563667 1.979076 0.000000\n5.966937 0.000000 3.375520\nZn Se S\n2 1 1\ndirect\n0.003739 0.003739 0.003739 Zn\n0.496347 0.496347 0.496347 Zn\n0.624657 0.624657 0.624657 Se\n0.125257 0.125257 0.125257 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.579340384813567,
"density_atomic": 0.04561212422080447,
"volume": 87.69598145958595,
"volume_molar": 13.202938610899421,
"formula_full": "Zn2 Se1 S1",
"formula_reduced": "Zn2SeS",
"formula_anonymous": "ABC2",
"energy": -14.12431681,
"energy_per_atom": -3.5310792025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.14931681,
"band_gap": 1.3618,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.453000Z",
"spacegroup": 160
},
{
"id": "mp-1215580",
"created_at": "2022-09-04T14:45:58.690721Z",
"structure_string": "Zn5 Se1 S4\n1.0\n-1.946076 1.946076 13.754185\n1.946076 -1.946076 13.754185\n1.946076 1.946076 -13.754185\nZn Se S\n5 1 4\ndirect\n0.303479 0.303479 0.000000 Zn\n0.696521 0.696521 0.000000 Zn\n0.099191 0.099191 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.900809 0.900809 0.000000 Zn\n0.250000 0.750000 0.500000 Se\n0.648080 0.148080 0.500000 S\n0.049747 0.549747 0.500000 S\n0.450253 0.950253 0.500000 S\n0.851920 0.351920 0.500000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.257859978574027,
"density_atomic": 0.04799384600564235,
"volume": 208.36004680317473,
"volume_molar": 12.547735306089061,
"formula_full": "Zn5 Se1 S4",
"formula_reduced": "Zn5SeS4",
"formula_anonymous": "AB4C5",
"energy": -36.59548988,
"energy_per_atom": -3.659548988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.11148988,
"band_gap": 1.7642000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.350000Z",
"spacegroup": 119
},
{
"id": "mp-1215566",
"created_at": "2022-09-04T14:48:27.706765Z",
"structure_string": "Zn5 Se4 S1\n1.0\n16.486613 -2.017154 0.000000\n16.486613 2.017154 0.000000\n16.239812 0.000000 3.485085\nZn Se S\n5 4 1\ndirect\n0.997959 0.997959 0.997959 Zn\n0.602010 0.602010 0.602010 Zn\n0.200554 0.200554 0.200554 Zn\n0.799981 0.799981 0.799981 Zn\n0.399385 0.399385 0.399385 Zn\n0.551304 0.551304 0.551304 Se\n0.150265 0.150265 0.150265 Se\n0.749790 0.749790 0.749790 Se\n0.348930 0.348930 0.348930 Se\n0.949822 0.949822 0.949822 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.83511523712177,
"density_atomic": 0.04314059494604126,
"volume": 231.80023392138307,
"volume_molar": 13.959336368754956,
"formula_full": "Zn5 Se4 S1",
"formula_reduced": "Zn5Se4S",
"formula_anonymous": "AB4C5",
"energy": -33.92399421,
"energy_per_atom": -3.3923994209999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.53299421,
"band_gap": 1.3133,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0058806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.136000Z",
"spacegroup": 160
},
{
"id": "mp-1216174",
"created_at": "2022-09-04T14:43:22.570658Z",
"structure_string": "W2 Se2 S2\n1.0\n-1.628539 -2.821312 0.000191\n-3.257078 0.000000 0.000000\n0.000000 0.000975 -14.916318\nW Se S\n2 2 2\ndirect\n0.666749 0.666625 0.742314 W\n0.333251 0.333375 0.257686 W\n0.666554 0.666723 0.142602 Se\n0.333446 0.333277 0.857398 Se\n0.333296 0.333352 0.639268 S\n0.666704 0.666648 0.360732 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 7.144328442734202,
"density_atomic": 0.04377340633783445,
"volume": 137.06952467197075,
"volume_molar": 13.757532858015011,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -47.19799896,
"energy_per_atom": -7.86633316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.24799896,
"band_gap": 1.5081000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.898000Z",
"spacegroup": 164
},
{
"id": "mp-1023929",
"created_at": "2022-09-04T14:43:08.923500Z",
"structure_string": "W2 Se2 S2\n1.0\n1.627359 -2.818669 0.000000\n1.627359 2.818669 0.000000\n0.000000 0.000000 23.022902\nW Se S\n2 2 2\ndirect\n0.000000 0.000000 0.150434 W\n0.333333 0.666667 0.451445 W\n0.000000 0.000000 0.525583 Se\n0.000000 0.000000 0.377289 Se\n0.333333 0.666667 0.083135 S\n0.333333 0.666667 0.217718 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 4.636441761431047,
"density_atomic": 0.02840754744292721,
"volume": 211.21147512133626,
"volume_molar": 21.199087221798752,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -47.171382730000005,
"energy_per_atom": -7.861897121666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22138273,
"band_gap": 0.8086000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.221000Z",
"spacegroup": 156
},
{
"id": "mp-1028772",
"created_at": "2022-09-04T14:40:23.924267Z",
"structure_string": "W4 Se4 S4\n1.0\n1.627073 -2.818172 0.000000\n1.627073 2.818172 0.000000\n0.000000 0.000000 36.902330\nW Se S\n4 4 4\ndirect\n0.333333 0.666667 0.718183 W\n0.333333 0.666667 0.093962 W\n0.666667 0.333333 0.906038 W\n0.666667 0.333333 0.281817 W\n0.333333 0.666667 0.952275 Se\n0.666667 0.333333 0.047725 Se\n0.666667 0.333333 0.140190 Se\n0.333333 0.666667 0.859810 Se\n0.333333 0.666667 0.323793 S\n0.666667 0.333333 0.676207 S\n0.666667 0.333333 0.760167 S\n0.333333 0.666667 0.239833 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.787273357915605,
"density_atomic": 0.035458709704450836,
"volume": 338.4217897385516,
"volume_molar": 16.983530450472344,
"formula_full": "W4 Se4 S4",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -94.33800715,
"energy_per_atom": -7.861500595833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.43800715,
"band_gap": 0.7671000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.906000Z",
"spacegroup": 164
},
{
"id": "mp-1028769",
"created_at": "2022-09-04T14:39:12.629882Z",
"structure_string": "W4 Se6 S2\n1.0\n1.643479 -2.846589 0.000000\n1.643479 2.846589 0.000000\n0.000000 0.000000 37.444283\nW Se S\n4 6 2\ndirect\n0.000000 0.000000 0.093919 W\n0.000000 0.000000 0.469659 W\n0.333333 0.666667 0.281789 W\n0.333333 0.666667 0.657547 W\n0.000000 0.000000 0.327067 Se\n0.000000 0.000000 0.702827 Se\n0.333333 0.666667 0.424382 Se\n0.333333 0.666667 0.514939 Se\n0.000000 0.000000 0.236517 Se\n0.000000 0.000000 0.612251 Se\n0.333333 0.666667 0.052769 S\n0.333333 0.666667 0.135082 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 6.034736915759977,
"density_atomic": 0.03425127995491902,
"volume": 350.35187052262586,
"volume_molar": 17.582235665137897,
"formula_full": "W4 Se6 S2",
"formula_reduced": "W2Se3S",
"formula_anonymous": "AB2C3",
"energy": -92.25475536,
"energy_per_atom": -7.68789628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.41675536,
"band_gap": 0.6566000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.111000Z",
"spacegroup": 156
},
{
"id": "mp-1028487",
"created_at": "2022-09-04T14:48:16.244218Z",
"structure_string": "W4 Se2 S6\n1.0\n1.610639 -2.789709 0.000000\n1.610639 2.789709 0.000000\n0.000000 0.000000 36.401228\nW Se S\n4 2 6\ndirect\n0.333333 0.666667 0.093908 W\n0.333333 0.666667 0.469656 W\n0.666667 0.333333 0.281805 W\n0.666667 0.333333 0.657557 W\n0.333333 0.666667 0.704836 Se\n0.333333 0.666667 0.610274 Se\n0.333333 0.666667 0.324704 S\n0.666667 0.333333 0.050995 S\n0.666667 0.333333 0.426751 S\n0.666667 0.333333 0.136823 S\n0.666667 0.333333 0.512551 S\n0.333333 0.666667 0.238890 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.511169772828275,
"density_atomic": 0.03668411963380975,
"volume": 327.1170228367769,
"volume_molar": 16.41620630429338,
"formula_full": "W4 Se2 S6",
"formula_reduced": "W2SeS3",
"formula_anonymous": "AB2C3",
"energy": -96.50867997,
"energy_per_atom": -8.0423899975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.54667997,
"band_gap": 0.908,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.474000Z",
"spacegroup": 156
},
{
"id": "mp-1028686",
"created_at": "2022-09-04T14:39:47.802733Z",
"structure_string": "W4 Se6 S2\n1.0\n1.643076 -2.845892 0.000000\n1.643076 2.845892 0.000000\n0.000000 0.000000 37.447428\nW Se S\n4 6 2\ndirect\n0.333333 0.666667 0.093926 W\n0.333333 0.666667 0.469650 W\n0.666667 0.333333 0.281795 W\n0.666667 0.333333 0.657549 W\n0.333333 0.666667 0.702855 Se\n0.666667 0.333333 0.048609 Se\n0.666667 0.333333 0.424349 Se\n0.666667 0.333333 0.139237 Se\n0.666667 0.333333 0.514957 Se\n0.333333 0.666667 0.612231 Se\n0.333333 0.666667 0.322942 S\n0.333333 0.666667 0.240647 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 6.037188350143417,
"density_atomic": 0.03426519353003098,
"volume": 350.2096081693764,
"volume_molar": 17.575096299170255,
"formula_full": "W4 Se6 S2",
"formula_reduced": "W2Se3S",
"formula_anonymous": "AB2C3",
"energy": -92.2609301,
"energy_per_atom": -7.688410841666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.4229301,
"band_gap": 0.629,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.628000Z",
"spacegroup": 156
},
{
"id": "mp-1028558",
"created_at": "2022-09-04T14:43:51.348483Z",
"structure_string": "W4 Se2 S6\n1.0\n1.611215 -2.790707 0.000000\n1.611215 2.790707 0.000000\n0.000000 0.000000 38.470523\nW Se S\n4 2 6\ndirect\n0.333333 0.666667 0.092750 W\n0.333333 0.666667 0.469601 W\n0.666667 0.333333 0.280682 W\n0.666667 0.333333 0.659916 W\n0.666667 0.333333 0.424919 Se\n0.666667 0.333333 0.514229 Se\n0.333333 0.666667 0.321189 S\n0.333333 0.666667 0.700432 S\n0.666667 0.333333 0.052234 S\n0.666667 0.333333 0.133266 S\n0.333333 0.666667 0.240145 S\n0.333333 0.666667 0.619386 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 5.2110004470718785,
"density_atomic": 0.03468609599992762,
"volume": 345.9599489093567,
"volume_molar": 17.361829247121285,
"formula_full": "W4 Se2 S6",
"formula_reduced": "W2SeS3",
"formula_anonymous": "AB2C3",
"energy": -96.52327168,
"energy_per_atom": -8.043605973333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.56127168,
"band_gap": 0.8769,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0019072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.832000Z",
"spacegroup": 156
}
]
}