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=131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=129",
"results": [
{
"id": "mp-1077026",
"created_at": "2022-09-04T14:46:40.495527Z",
"structure_string": "Y3 Si3\n1.0\n3.480668 -6.028693 0.000000\n3.480668 6.028693 0.000000\n0.000000 0.000000 4.087586\nY Si\n3 3\ndirect\n0.000000 0.431252 0.000000 Y\n0.568748 0.568748 0.000000 Y\n0.431252 0.000000 0.000000 Y\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 3.3973589634189194,
"density_atomic": 0.03497587453606911,
"volume": 171.5468184737585,
"volume_molar": 17.217984796319033,
"formula_full": "Y3 Si3",
"formula_reduced": "YSi",
"formula_anonymous": "AB",
"energy": -35.8924921,
"energy_per_atom": -5.982082016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.1054921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.622000Z",
"spacegroup": 189
},
{
"id": "mp-2568",
"created_at": "2022-09-04T14:47:56.694597Z",
"structure_string": "Y1 Si2\n1.0\n2.046580 -3.544780 0.000000\n2.046580 3.544780 0.000000\n0.000000 0.000000 3.971799\nY Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.180343261820478,
"density_atomic": 0.052057820851156324,
"volume": 57.62822859177293,
"volume_molar": 11.568176810970442,
"formula_full": "Y1 Si2",
"formula_reduced": "YSi2",
"formula_anonymous": "AB2",
"energy": -18.75347491,
"energy_per_atom": -6.251158303333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.89547491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.788000Z",
"spacegroup": 191
},
{
"id": "mp-1189560",
"created_at": "2022-09-04T14:41:44.960472Z",
"structure_string": "Y4 Si12\n1.0\n-3.616768 3.616768 5.426206\n3.616768 -3.616768 5.426206\n3.616768 3.616768 -5.426206\nY Si\n4 12\ndirect\n0.829023 0.829023 0.000000 Y\n0.170977 0.170977 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.328275 0.000000 0.328275 Si\n0.671725 0.000000 0.671725 Si\n0.000000 0.671725 0.671725 Si\n0.000000 0.328275 0.328275 Si\n0.201587 0.201587 0.627456 Si\n0.574131 0.574131 0.372544 Si\n0.201587 0.574131 0.000000 Si\n0.574131 0.201587 0.000000 Si\n0.798413 0.798413 0.372544 Si\n0.425869 0.425869 0.627456 Si\n0.798413 0.425869 0.000000 Si\n0.425869 0.798413 0.000000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.0510256044523905,
"density_atomic": 0.05635369679565347,
"volume": 283.9210364143151,
"volume_molar": 10.68632778757557,
"formula_full": "Y4 Si12",
"formula_reduced": "YSi3",
"formula_anonymous": "AB3",
"energy": -95.76186686,
"energy_per_atom": -5.98511667875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.61386686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001775,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.844000Z",
"spacegroup": 139
},
{
"id": "mp-1215210",
"created_at": "2022-09-04T14:39:29.184549Z",
"structure_string": "Zr1 Si1 W4\n1.0\n0.000000 3.771221 3.771221\n3.771221 0.000000 3.771221\n3.771221 3.771221 0.000000\nZr Si W\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Si\n0.374391 0.374391 0.374391 W\n0.374391 0.876826 0.374391 W\n0.876826 0.374391 0.374391 W\n0.374391 0.374391 0.876826 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"W"
],
"chemical_system": "Si-W-Zr",
"density": 13.230350722290876,
"density_atomic": 0.05593392607177674,
"volume": 107.26942343186407,
"volume_molar": 10.766526119178796,
"formula_full": "Zr1 Si1 W4",
"formula_reduced": "ZrSiW4",
"formula_anonymous": "ABC4",
"energy": -64.00951847,
"energy_per_atom": -10.668253078333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.00951847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.342000Z",
"spacegroup": 216
},
{
"id": "mp-972748",
"created_at": "2022-09-04T14:46:06.491363Z",
"structure_string": "Si6 W2\n1.0\n2.625988 -4.548345 0.000000\n2.625988 4.548345 0.000000\n0.000000 0.000000 4.800385\nSi W\n6 2\ndirect\n0.176531 0.353062 0.250000 Si\n0.646938 0.823469 0.250000 Si\n0.176531 0.823469 0.250000 Si\n0.823469 0.646938 0.750000 Si\n0.353062 0.176531 0.750000 Si\n0.823469 0.176531 0.750000 Si\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 7.764581186991636,
"density_atomic": 0.06976502993014913,
"volume": 114.6706309451862,
"volume_molar": 8.63203350737404,
"formula_full": "Si6 W2",
"formula_reduced": "Si3W",
"formula_anonymous": "AB3",
"energy": -54.83767018,
"energy_per_atom": -6.8547087725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.26367018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.193000Z",
"spacegroup": 194
},
{
"id": "mp-8939",
"created_at": "2022-09-04T14:41:59.725338Z",
"structure_string": "Si6 W3\n1.0\n2.308426 -3.998312 0.000000\n2.308426 3.998312 0.000000\n0.000000 0.000000 6.653222\nSi W\n6 3\ndirect\n0.163626 0.836374 0.833333 Si\n0.327253 0.163626 0.166667 Si\n0.836374 0.672747 0.500000 Si\n0.836374 0.163626 0.833333 Si\n0.672747 0.836374 0.166667 Si\n0.163626 0.327253 0.500000 Si\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.166667 W\n0.500000 0.500000 0.833333 W\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 9.735244213441941,
"density_atomic": 0.07328040507299635,
"volume": 122.81591499166642,
"volume_molar": 8.217941418311215,
"formula_full": "Si6 W3",
"formula_reduced": "Si2W",
"formula_anonymous": "AB2",
"energy": -73.92966085,
"energy_per_atom": -8.214406761111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.92966085,
"band_gap": 0.0337999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.706000Z",
"spacegroup": 180
},
{
"id": "mp-31219",
"created_at": "2022-09-04T14:42:11.915201Z",
"structure_string": "Si6 W10\n1.0\n-4.834754 4.834754 2.499397\n4.834754 -4.834754 2.499397\n4.834754 4.834754 -2.499397\nSi W\n6 10\ndirect\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n0.332003 0.167997 0.500000 Si\n0.832003 0.332003 0.164006 Si\n0.167997 0.667997 0.835994 Si\n0.667997 0.832003 0.500000 Si\n0.723984 0.575035 0.299019 W\n0.276016 0.424965 0.700981 W\n0.750000 0.250000 0.500000 W\n0.250000 0.750000 0.500000 W\n0.575035 0.276016 0.851051 W\n0.424965 0.723984 0.148949 W\n0.776016 0.075035 0.851051 W\n0.924965 0.776016 0.700981 W\n0.075035 0.223984 0.299019 W\n0.223984 0.924965 0.148949 W\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 14.260463629363015,
"density_atomic": 0.06846616215735297,
"volume": 233.69208227602792,
"volume_molar": 8.795791337273384,
"formula_full": "Si6 W10",
"formula_reduced": "Si3W5",
"formula_anonymous": "A3B5",
"energy": -164.50137057,
"energy_per_atom": -10.281335660625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.92737057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.869000Z",
"spacegroup": 140
},
{
"id": "mp-1079377",
"created_at": "2022-09-04T14:40:52.966389Z",
"structure_string": "Si4 W6\n1.0\n6.615847 0.000000 0.000000\n0.000000 6.615847 0.000000\n0.000000 0.000000 3.343505\nSi W\n4 6\ndirect\n0.133998 0.633998 0.000000 Si\n0.866002 0.366002 0.000000 Si\n0.633998 0.866002 0.000000 Si\n0.366002 0.133998 0.000000 Si\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.659841 0.159841 0.500000 W\n0.340159 0.840159 0.500000 W\n0.159841 0.340159 0.500000 W\n0.840159 0.659841 0.500000 W\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 13.790785846491135,
"density_atomic": 0.0683324696163722,
"volume": 146.34331315904961,
"volume_molar": 8.81300031128557,
"formula_full": "Si4 W6",
"formula_reduced": "Si2W3",
"formula_anonymous": "A2B3",
"energy": -99.14548369,
"energy_per_atom": -9.914548369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.42948369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.96e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.857000Z",
"spacegroup": 127
},
{
"id": "mp-570334",
"created_at": "2022-09-04T14:44:26.309183Z",
"structure_string": "Si1 W3\n1.0\n-2.606175 2.606175 2.606175\n2.606175 -2.606175 2.606175\n2.606175 2.606175 -2.606175\nSi W\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 13.59286115204519,
"density_atomic": 0.05649230258652846,
"volume": 70.80610661732644,
"volume_molar": 10.660108517927682,
"formula_full": "Si1 W3",
"formula_reduced": "SiW3",
"formula_anonymous": "AB3",
"energy": -38.94359244,
"energy_per_atom": -9.73589811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.94359244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.506000Z",
"spacegroup": 229
},
{
"id": "mp-1620",
"created_at": "2022-09-04T14:42:09.710737Z",
"structure_string": "Si2 W1\n1.0\n-1.616778 1.616778 3.933739\n1.616778 -1.616778 3.933739\n1.616778 1.616778 -3.933739\nSi W\n2 1\ndirect\n0.334929 0.334929 0.000000 Si\n0.665071 0.665071 0.000000 Si\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 9.689780275080768,
"density_atomic": 0.07293818296266447,
"volume": 41.130720263975284,
"volume_molar": 8.256499566328117,
"formula_full": "Si2 W1",
"formula_reduced": "Si2W",
"formula_anonymous": "AB2",
"energy": -24.84675693,
"energy_per_atom": -8.28225231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.84675693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.18e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.901000Z",
"spacegroup": 139
},
{
"id": "mp-5541",
"created_at": "2022-09-04T14:44:25.746919Z",
"structure_string": "Zr2 V2 Si2\n1.0\n3.689126 0.000000 0.000000\n0.000000 3.689126 0.000000\n0.000000 0.000000 7.253815\nZr V Si\n2 2 2\ndirect\n0.500000 0.000000 0.640394 Zr\n0.000000 0.500000 0.359606 Zr\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.245393 Si\n0.000000 0.500000 0.754607 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"V",
"Si"
],
"chemical_system": "Si-V-Zr",
"density": 5.7273709487766595,
"density_atomic": 0.060776795525759895,
"volume": 98.72188798530739,
"volume_molar": 9.908618425674566,
"formula_full": "Zr2 V2 Si2",
"formula_reduced": "ZrVSi",
"formula_anonymous": "ABC",
"energy": -50.50712223000001,
"energy_per_atom": -8.417853705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.64912223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.097000Z",
"spacegroup": 129
},
{
"id": "mp-1215352",
"created_at": "2022-09-04T14:42:16.739924Z",
"structure_string": "Zr5 V5 Si6\n1.0\n0.003172 0.005493 -5.130438\n-3.862681 -6.690360 0.009405\n-3.699093 6.595912 -0.004703\nZr V Si\n5 5 6\ndirect\n0.750625 0.753717 0.755065 Zr\n0.750625 0.998652 0.244935 Zr\n0.250213 0.741531 0.000000 Zr\n0.249600 0.241359 0.239505 Zr\n0.249600 0.001854 0.760495 Zr\n0.500440 0.332910 0.665021 V\n0.500440 0.667889 0.334979 V\n0.999305 0.667634 0.335054 V\n0.999305 0.332581 0.664946 V\n0.750257 0.267055 0.000000 V\n0.750145 0.588055 0.000000 Si\n0.750409 0.398936 0.389863 Si\n0.750409 0.009073 0.610137 Si\n0.249753 0.400838 0.000000 Si\n0.249438 0.596621 0.595327 Si\n0.249438 0.001294 0.404673 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"V",
"Si"
],
"chemical_system": "Si-V-Zr",
"density": 5.66659716834573,
"density_atomic": 0.06209207157370923,
"volume": 257.68185203816995,
"volume_molar": 9.698727401695951,
"formula_full": "Zr5 V5 Si6",
"formula_reduced": "Zr5V5Si6",
"formula_anonymous": "A5B5C6",
"energy": -131.27971226000005,
"energy_per_atom": -8.204982016250003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.70571226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9359728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.637000Z",
"spacegroup": 38
}
]
}