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=63",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=61",
"results": [
{
"id": "mp-1004526",
"created_at": "2022-09-04T14:45:22.396499Z",
"structure_string": "W2 S2\n1.0\n1.512755 -2.620168 0.000000\n1.512755 2.620168 0.000000\n0.000000 0.000000 8.180800\nW S\n2 2\ndirect\n0.666667 0.333333 0.536287 W\n0.333333 0.666667 0.036287 W\n0.666667 0.333333 0.840713 S\n0.333333 0.666667 0.340713 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"S"
],
"chemical_system": "S-W",
"density": 11.0565156938623,
"density_atomic": 0.06167888084722244,
"volume": 64.85201976845094,
"volume_molar": 9.763699790397855,
"formula_full": "W2 S2",
"formula_reduced": "WS",
"formula_anonymous": "AB",
"energy": -35.9262285,
"energy_per_atom": -8.981557125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9202285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.749000Z",
"spacegroup": 186
},
{
"id": "mp-9483",
"created_at": "2022-09-04T14:39:45.869865Z",
"structure_string": "Zr18 V8 S2\n1.0\n4.328160 -7.496593 0.000000\n4.328160 7.496593 0.000000\n0.000000 0.000000 8.538396\nZr V S\n18 8 2\ndirect\n0.195530 0.391059 0.948768 Zr\n0.195530 0.804470 0.948768 Zr\n0.458006 0.916013 0.250000 Zr\n0.541994 0.458006 0.750000 Zr\n0.916013 0.458006 0.750000 Zr\n0.083987 0.541994 0.250000 Zr\n0.458006 0.541994 0.250000 Zr\n0.541994 0.083987 0.750000 Zr\n0.608941 0.804470 0.948768 Zr\n0.391059 0.195530 0.448768 Zr\n0.804470 0.608941 0.051232 Zr\n0.804470 0.195530 0.448768 Zr\n0.804470 0.608941 0.448768 Zr\n0.195530 0.804470 0.551232 Zr\n0.608941 0.804470 0.551232 Zr\n0.391059 0.195530 0.051232 Zr\n0.804470 0.195530 0.051232 Zr\n0.195530 0.391059 0.551232 Zr\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.896126 0.792253 0.750000 V\n0.103874 0.896126 0.250000 V\n0.792253 0.896126 0.250000 V\n0.207747 0.103874 0.750000 V\n0.896126 0.103874 0.750000 V\n0.103874 0.207747 0.250000 V\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"V",
"S"
],
"chemical_system": "S-V-Zr",
"density": 6.334577929791492,
"density_atomic": 0.05053409618062738,
"volume": 554.0813453933704,
"volume_molar": 11.916985194460906,
"formula_full": "Zr18 V8 S2",
"formula_reduced": "Zr9V4S",
"formula_anonymous": "AB4C9",
"energy": -241.50885706000005,
"energy_per_atom": -8.62531632357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.50285706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017426,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.233000Z",
"spacegroup": 194
},
{
"id": "mp-1390164",
"created_at": "2022-09-04T14:44:57.336144Z",
"structure_string": "V4 Zn2 S8\n1.0\n0.000000 5.037703 5.037703\n5.037703 0.000000 5.037703\n5.037703 5.037703 0.000000\nV Zn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.900329 0.366557 0.366557 S\n0.366557 0.366557 0.900329 S\n0.366557 0.366557 0.366557 S\n0.349671 0.883443 0.883443 S\n0.883443 0.349671 0.883443 S\n0.883443 0.883443 0.349671 S\n0.366557 0.900329 0.366557 S\n0.883443 0.883443 0.883443 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.8387101440167903,
"density_atomic": 0.05475204695778904,
"volume": 255.6982026771212,
"volume_molar": 10.998932632861662,
"formula_full": "V4 Zn2 S8",
"formula_reduced": "V2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -87.68871584,
"energy_per_atom": -6.2634797028571425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.66471584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9895521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.617000Z",
"spacegroup": 227
},
{
"id": "mvc-14772",
"created_at": "2022-09-04T14:43:24.195825Z",
"structure_string": "V4 Zn2 S8\n1.0\n6.179852 -0.004072 3.563450\n2.050896 5.834251 3.572518\n0.004786 0.013925 7.118419\nV Zn S\n4 2 8\ndirect\n0.499636 0.499334 0.494343 V\n0.494248 0.495669 0.016211 V\n0.006414 0.499208 0.494733 V\n0.499630 0.005048 0.495609 V\n0.876600 0.876296 0.870732 Zn\n0.125041 0.130124 0.119821 Zn\n0.738971 0.736343 0.742840 S\n0.259820 0.258486 0.721963 S\n0.255113 0.730707 0.259029 S\n0.726429 0.255807 0.261014 S\n0.737896 0.280662 0.743192 S\n0.281997 0.736142 0.742762 S\n0.256831 0.255850 0.261005 S\n0.741377 0.740320 0.276747 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.8280920325310324,
"density_atomic": 0.05460059938377062,
"volume": 256.4074416399417,
"volume_molar": 11.029440753337242,
"formula_full": "V4 Zn2 S8",
"formula_reduced": "V2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -87.68773563,
"energy_per_atom": -6.263409687857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.66373563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7044888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.498000Z",
"spacegroup": 216
},
{
"id": "mp-1329064",
"created_at": "2022-09-04T14:43:20.311002Z",
"structure_string": "V4 Zn2 S10\n1.0\n3.995940 0.000000 0.000000\n0.000000 5.937030 0.000000\n0.000000 0.000000 14.323063\nV Zn S\n4 2 10\ndirect\n0.000000 0.083579 0.842573 V\n0.500000 0.916421 0.657427 V\n0.500000 0.916421 0.342573 V\n0.000000 0.083579 0.157427 V\n0.500000 0.681850 0.000000 Zn\n0.000000 0.318150 0.500000 Zn\n0.500000 0.079718 0.500000 S\n0.000000 0.920282 0.000000 S\n0.500000 0.885457 0.822928 S\n0.000000 0.114543 0.677072 S\n0.500000 0.885457 0.177072 S\n0.000000 0.114543 0.322928 S\n0.000000 0.419231 0.112163 S\n0.500000 0.580769 0.387837 S\n0.500000 0.580769 0.612163 S\n0.000000 0.419231 0.887837 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.2020006674196595,
"density_atomic": 0.047086442375038895,
"volume": 339.800570885385,
"volume_molar": 12.789542926250913,
"formula_full": "V4 Zn2 S10",
"formula_reduced": "V2ZnS5",
"formula_anonymous": "AB2C5",
"energy": -93.34767659,
"energy_per_atom": -5.834229786875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.31767659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.258000Z",
"spacegroup": 59
},
{
"id": "mp-1407346",
"created_at": "2022-09-04T14:43:01.528804Z",
"structure_string": "V4 Zn1 S8\n1.0\n6.743439 -3.208136 0.000000\n6.743439 3.208136 0.000000\n5.217195 0.000000 5.342937\nV Zn S\n4 1 8\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Zn\n0.261297 0.754769 0.754769 S\n0.245231 0.245231 0.738703 S\n0.738703 0.245231 0.245231 S\n0.245231 0.738703 0.245231 S\n0.258207 0.258207 0.258207 S\n0.741793 0.741793 0.741793 S\n0.754769 0.261297 0.754769 S\n0.754769 0.754769 0.261297 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.7760582992186147,
"density_atomic": 0.056234015892932,
"volume": 231.1768027514101,
"volume_molar": 10.709071127813438,
"formula_full": "V4 Zn1 S8",
"formula_reduced": "V4ZnS8",
"formula_anonymous": "AB4C8",
"energy": -85.18553561,
"energy_per_atom": -6.552733508461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.16153561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1112525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.499000Z",
"spacegroup": 166
},
{
"id": "mp-1395990",
"created_at": "2022-09-04T14:43:10.365367Z",
"structure_string": "V4 Zn1 S8\n1.0\n6.060045 -3.442366 0.000000\n6.060045 3.442366 0.000000\n4.104634 0.000000 5.632585\nV Zn S\n4 1 8\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Zn\n0.253515 0.738961 0.253515 S\n0.738961 0.253515 0.253515 S\n0.253515 0.253515 0.738961 S\n0.254401 0.254401 0.254401 S\n0.745599 0.745599 0.745599 S\n0.261039 0.746485 0.746485 S\n0.746485 0.746485 0.261039 S\n0.746485 0.261039 0.746485 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.714602110744697,
"density_atomic": 0.055318794779932644,
"volume": 235.00150449257183,
"volume_molar": 10.88624722204646,
"formula_full": "V4 Zn1 S8",
"formula_reduced": "V4ZnS8",
"formula_anonymous": "AB4C8",
"energy": -84.19989269,
"energy_per_atom": -6.476914822307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.17589269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.997957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.962000Z",
"spacegroup": 166
},
{
"id": "mp-1045354",
"created_at": "2022-09-04T14:41:28.419952Z",
"structure_string": "Y2 V4 S8\n1.0\n-3.678136 3.678136 5.520236\n3.678136 -3.678136 5.520236\n3.678136 3.678136 -5.520236\nY V S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.375000 0.125000 0.250000 V\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.875000 0.125000 0.750000 V\n0.672037 0.898412 0.773625 S\n0.101588 0.875214 0.773625 S\n0.101588 0.327963 0.226375 S\n0.077963 0.351588 0.726375 S\n0.625214 0.351588 0.273625 S\n0.648412 0.374786 0.726375 S\n0.124786 0.898412 0.226375 S\n0.648412 0.922037 0.273625 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"V",
"S"
],
"chemical_system": "S-V-Y",
"density": 3.5470153970028426,
"density_atomic": 0.046865670270286576,
"volume": 298.7261233917778,
"volume_molar": 12.849791169674388,
"formula_full": "Y2 V4 S8",
"formula_reduced": "Y(VS2)2",
"formula_anonymous": "AB2C4",
"energy": -102.11573966,
"energy_per_atom": -7.293981404285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.09173966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.311000Z",
"spacegroup": 141
},
{
"id": "mp-1045335",
"created_at": "2022-09-04T14:41:46.403482Z",
"structure_string": "Y2 V4 S8\n1.0\n-3.680041 3.825408 5.211607\n3.680041 -3.825408 5.211607\n3.680041 3.825408 -5.211607\nY V S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.886824 0.136824 0.750000 V\n0.113176 0.863176 0.250000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.286575 0.760865 0.525711 S\n0.735154 0.760865 0.974289 S\n0.261018 0.770979 0.009961 S\n0.713425 0.239135 0.474289 S\n0.738982 0.748943 0.509961 S\n0.264846 0.239135 0.025711 S\n0.261018 0.251057 0.490039 S\n0.738982 0.229021 0.990039 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"V",
"S"
],
"chemical_system": "S-V-Y",
"density": 3.610557016646011,
"density_atomic": 0.04770522698525121,
"volume": 293.4688897786465,
"volume_molar": 12.623649735199532,
"formula_full": "Y2 V4 S8",
"formula_reduced": "Y(VS2)2",
"formula_anonymous": "AB2C4",
"energy": -102.63304588,
"energy_per_atom": -7.330931848571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.60904588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9998477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.252000Z",
"spacegroup": 74
},
{
"id": "mp-1100925",
"created_at": "2022-09-04T14:44:19.318700Z",
"structure_string": "V21 S24\n1.0\n3.193008 -5.530453 0.000000\n3.193008 5.530453 0.000000\n0.000000 0.000000 18.031877\nV S\n21 24\ndirect\n0.500104 0.499759 0.835419 V\n0.000588 0.000588 0.500000 V\n0.500241 0.000345 0.168752 V\n0.999412 0.000000 0.833333 V\n0.499759 0.500104 0.164581 V\n0.499896 0.999655 0.497914 V\n0.501486 0.501810 0.667613 V\n0.000567 0.000000 0.333333 V\n0.498190 0.999676 0.000946 V\n0.999433 0.999433 0.000000 V\n0.501810 0.501486 0.332387 V\n0.498514 0.000324 0.665720 V\n0.000345 0.500241 0.831248 V\n0.999655 0.499896 0.502086 V\n0.000000 0.501217 0.166667 V\n0.000324 0.498514 0.334280 V\n0.999676 0.498190 0.999054 V\n0.000000 0.000567 0.666667 V\n0.501217 0.000000 0.833333 V\n0.498783 0.498783 0.500000 V\n0.000000 0.999412 0.166667 V\n0.667188 0.833724 0.750778 S\n0.664498 0.836380 0.415140 S\n0.665248 0.829186 0.082123 S\n0.335502 0.171882 0.918193 S\n0.334752 0.163938 0.251210 S\n0.332812 0.166536 0.582555 S\n0.836380 0.664498 0.584860 S\n0.828118 0.163620 0.251526 S\n0.336428 0.665002 0.917889 S\n0.171882 0.335502 0.081807 S\n0.663572 0.328574 0.415445 S\n0.163620 0.828118 0.748474 S\n0.833724 0.667188 0.249222 S\n0.833464 0.166276 0.915888 S\n0.328574 0.663572 0.584555 S\n0.166536 0.332812 0.417445 S\n0.671426 0.334998 0.748778 S\n0.166276 0.833464 0.084112 S\n0.829186 0.665248 0.917877 S\n0.836062 0.170814 0.584543 S\n0.334998 0.671426 0.251222 S\n0.163938 0.334752 0.748790 S\n0.665002 0.336428 0.082111 S\n0.170814 0.836062 0.415457 S\n",
"nsites": 45,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.79598108432097,
"density_atomic": 0.07066117734582757,
"volume": 636.8419221174664,
"volume_molar": 8.52255932635631,
"formula_full": "V21 S24",
"formula_reduced": "V7S8",
"formula_anonymous": "A7B8",
"energy": -342.87702549,
"energy_per_atom": -7.619489455333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.80502549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1146077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.636000Z",
"spacegroup": 152
},
{
"id": "mp-1133",
"created_at": "2022-09-04T14:43:42.694357Z",
"structure_string": "V5 S4\n1.0\n-4.495591 4.495591 1.578355\n4.495591 -4.495591 1.578355\n4.495591 4.495591 -1.578355\nV S\n5 4\ndirect\n0.620986 0.299909 0.920895 V\n0.700091 0.620986 0.321077 V\n0.000000 0.000000 0.000000 V\n0.379014 0.700091 0.079105 V\n0.299909 0.379014 0.678923 V\n0.271575 0.936212 0.207787 S\n0.063788 0.271575 0.335362 S\n0.728425 0.063788 0.792213 S\n0.936212 0.728425 0.664638 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.983939356575287,
"density_atomic": 0.07053493029950364,
"volume": 127.59635490932546,
"volume_molar": 8.537813441409721,
"formula_full": "V5 S4",
"formula_reduced": "V5S4",
"formula_anonymous": "A4B5",
"energy": -72.20157605,
"energy_per_atom": -8.022397338888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.18957605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0426884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.657000Z",
"spacegroup": 87
},
{
"id": "mp-1405126",
"created_at": "2022-09-04T14:46:25.717428Z",
"structure_string": "V4 S8\n1.0\n0.000000 4.688340 4.688340\n4.688340 0.000000 4.688340\n4.688340 4.688340 0.000000\nV S\n4 8\ndirect\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n0.876715 0.876715 0.876715 S\n0.880146 0.373285 0.373285 S\n0.373285 0.373285 0.880146 S\n0.373285 0.880146 0.373285 S\n0.373285 0.373285 0.373285 S\n0.369854 0.876715 0.876715 S\n0.876715 0.369854 0.876715 S\n0.876715 0.876715 0.369854 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.708425591551651,
"density_atomic": 0.058222915973185366,
"volume": 206.1044143774354,
"volume_molar": 10.343248288652365,
"formula_full": "V4 S8",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -82.78841007,
"energy_per_atom": -6.8990341724999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.76441007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0579124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.706000Z",
"spacegroup": 227
}
]
}