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=-formula_anonymous&page=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12137",
"results": [
{
"id": "mp-734188",
"created_at": "2022-09-04T14:45:30.199651Z",
"structure_string": "O12\n1.0\n5.168494 0.000000 0.000000\n0.000000 5.168494 0.000000\n0.000000 0.000000 7.549121\nO\n12\ndirect\n0.929491 0.268963 0.500842 O\n0.070509 0.731037 0.000842 O\n0.731037 0.929491 0.750842 O\n0.268963 0.070509 0.250842 O\n0.768594 0.429704 0.999202 O\n0.231406 0.570296 0.499202 O\n0.570296 0.768594 0.249202 O\n0.429704 0.231406 0.749202 O\n0.512040 0.009594 0.249943 O\n0.487960 0.990406 0.749943 O\n0.990406 0.512040 0.499943 O\n0.009594 0.487960 0.999943 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5809190054343385,
"density_atomic": 0.05950546135589384,
"volume": 201.66216220440137,
"volume_molar": 10.120316056340474,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -54.15860544,
"energy_per_atom": -4.51321712,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.15860544,
"band_gap": 1.2707000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.415000Z",
"spacegroup": 92
},
{
"id": "mp-10257",
"created_at": "2022-09-04T14:44:56.691243Z",
"structure_string": "Ni2\n1.0\n1.237139 -2.142788 0.000000\n1.237139 2.142788 0.000000\n0.000000 0.000000 4.070181\nNi\n2\ndirect\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.032894531270559,
"density_atomic": 0.09268054390501164,
"volume": 21.579502188180957,
"volume_molar": 6.497739985397687,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -11.50798865,
"energy_per_atom": -5.753994325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50798865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2669023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.795000Z",
"spacegroup": 194
},
{
"id": "mp-1185201",
"created_at": "2022-09-04T14:45:08.858207Z",
"structure_string": "K29\n1.0\n-8.163698 8.163698 8.163698\n8.163698 -8.163698 8.163698\n8.163698 8.163698 -8.163698\nK\n29\ndirect\n0.000000 0.000000 0.000000 K\n0.634598 0.000000 0.000000 K\n0.373248 0.189882 0.000000 K\n0.189882 0.373248 0.000000 K\n0.682000 0.403644 0.000000 K\n0.000000 0.634598 0.000000 K\n0.403644 0.682000 0.000000 K\n0.810118 0.810118 0.183366 K\n0.373248 0.000000 0.189882 K\n0.000000 0.373248 0.189882 K\n0.596356 0.596356 0.278355 K\n0.721645 0.318000 0.318000 K\n0.318000 0.721645 0.318000 K\n0.365402 0.365402 0.365402 K\n0.189882 0.000000 0.373248 K\n0.000000 0.189882 0.373248 K\n0.682000 0.000000 0.403644 K\n0.000000 0.682000 0.403644 K\n0.596356 0.278355 0.596356 K\n0.278355 0.596356 0.596356 K\n0.816634 0.626752 0.626752 K\n0.626752 0.816634 0.626752 K\n0.000000 0.000000 0.634598 K\n0.403644 0.000000 0.682000 K\n0.000000 0.403644 0.682000 K\n0.318000 0.318000 0.721645 K\n0.810118 0.183366 0.810118 K\n0.183366 0.810118 0.810118 K\n0.626752 0.626752 0.816634 K\n",
"nsites": 29,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8651356075891992,
"density_atomic": 0.013325306745282366,
"volume": 2176.3101258638594,
"volume_molar": 45.19326177712234,
"formula_full": "K29",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -31.12487004,
"energy_per_atom": -1.0732713806896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.12487004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8306616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.880000Z",
"spacegroup": 217
},
{
"id": "mp-1080694",
"created_at": "2022-09-04T14:45:00.054671Z",
"structure_string": "Os8\n1.0\n5.158646 0.000000 0.000000\n0.000000 4.669927 0.000000\n-1.420754 0.000000 4.946648\nOs\n8\ndirect\n0.391948 0.340406 0.791698 Os\n0.608052 0.840406 0.708302 Os\n0.608052 0.659594 0.208302 Os\n0.391948 0.159594 0.291698 Os\n0.861196 0.344294 0.640014 Os\n0.138804 0.844294 0.859986 Os\n0.138804 0.655706 0.359986 Os\n0.861196 0.155706 0.140014 Os\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.206122545991196,
"density_atomic": 0.06713255269405514,
"volume": 119.1672248254673,
"volume_molar": 8.970522523469132,
"formula_full": "Os8",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -87.9748755,
"energy_per_atom": -10.9968594375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.9748755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.995000Z",
"spacegroup": 14
},
{
"id": "mp-1057139",
"created_at": "2022-09-04T14:45:10.298231Z",
"structure_string": "Mn2\n1.0\n-2.181046 2.181046 1.252428\n2.181046 -2.181046 1.252428\n2.181046 2.181046 -1.252428\nMn\n2\ndirect\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 7.656140303944365,
"density_atomic": 0.0839242725229766,
"volume": 23.831007882164773,
"volume_molar": 7.175684195953288,
"formula_full": "Mn2",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -17.00899084,
"energy_per_atom": -8.50449542,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00899084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.184898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.730000Z",
"spacegroup": 141
},
{
"id": "mp-1188177",
"created_at": "2022-09-04T14:44:56.655303Z",
"structure_string": "H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.21005122513482502,
"density_atomic": 0.12549933974338837,
"volume": 127.49071057039504,
"volume_molar": 4.798543779045867,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -53.71851732,
"energy_per_atom": -3.3574073325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.71851732,
"band_gap": 7.3865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.948000Z",
"spacegroup": 62
},
{
"id": "mp-135",
"created_at": "2022-09-04T14:45:03.944801Z",
"structure_string": "Li1\n1.0\n-1.713409 1.713409 1.713409\n1.713409 -1.713409 1.713409\n1.713409 1.713409 -1.713409\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5728329870110183,
"density_atomic": 0.04970005591332286,
"volume": 20.120701709953906,
"volume_molar": 12.116969788731513,
"formula_full": "Li1",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -1.90379596,
"energy_per_atom": -1.90379596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.90379596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.373000Z",
"spacegroup": 229
},
{
"id": "mp-568584",
"created_at": "2022-09-04T14:45:07.625639Z",
"structure_string": "N16\n1.0\n5.075173 -4.719850 0.000000\n5.075173 4.719850 0.000000\n0.685769 0.000000 6.896672\nN\n16\ndirect\n0.045713 0.561851 0.724495 N\n0.275505 0.954287 0.438149 N\n0.561851 0.724495 0.045713 N\n0.956668 0.956668 0.956668 N\n0.061851 0.545713 0.224495 N\n0.454287 0.775505 0.938149 N\n0.438149 0.275505 0.954287 N\n0.043332 0.043332 0.043332 N\n0.938149 0.454287 0.775505 N\n0.543332 0.543332 0.543332 N\n0.954287 0.438149 0.275505 N\n0.456668 0.456668 0.456668 N\n0.724495 0.045713 0.561851 N\n0.775505 0.938149 0.454287 N\n0.545713 0.224495 0.061851 N\n0.224495 0.061851 0.545713 N\n",
"nsites": 16,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.126305725992504,
"density_atomic": 0.04842519382199112,
"volume": 330.4065247279194,
"volume_molar": 12.435966249587196,
"formula_full": "N16",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -133.12873838,
"energy_per_atom": -8.32054614875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.12873838,
"band_gap": 7.0262,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0115063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.625000Z",
"spacegroup": 167
},
{
"id": "mp-558014",
"created_at": "2022-09-04T14:45:07.411593Z",
"structure_string": "S24\n1.0\n5.663469 0.000000 0.000000\n0.000000 9.632489 0.000000\n0.000000 0.000000 15.710459\nS\n24\ndirect\n0.009455 0.303651 0.892776 S\n0.500000 0.500000 0.286127 S\n0.190262 0.736624 0.000000 S\n0.990545 0.696349 0.107224 S\n0.799591 0.872707 0.863435 S\n0.490545 0.803651 0.607224 S\n0.299591 0.627293 0.636565 S\n0.500000 0.500000 0.713873 S\n0.509455 0.196349 0.392776 S\n0.490545 0.803651 0.392776 S\n0.299591 0.627293 0.363435 S\n0.700409 0.372707 0.363435 S\n0.309738 0.236624 0.500000 S\n0.000000 0.000000 0.213873 S\n0.000000 0.000000 0.786127 S\n0.200409 0.127293 0.136565 S\n0.509455 0.196349 0.607224 S\n0.990545 0.696349 0.892776 S\n0.200409 0.127293 0.863435 S\n0.700409 0.372707 0.636565 S\n0.690262 0.763376 0.500000 S\n0.799591 0.872707 0.136565 S\n0.009455 0.303651 0.107224 S\n0.809738 0.263376 0.000000 S\n",
"nsites": 24,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.4910137907510814,
"density_atomic": 0.028002790974917143,
"volume": 857.0574276506027,
"volume_molar": 21.50550195298102,
"formula_full": "S24",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -98.93632967,
"energy_per_atom": -4.122347069583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.93632967,
"band_gap": 2.4779,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002936,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.362000Z",
"spacegroup": 58
},
{
"id": "mp-975590",
"created_at": "2022-09-04T14:45:07.682193Z",
"structure_string": "Kr3\n1.0\n11.179084 -2.260239 0.000000\n11.179084 2.260239 0.000000\n10.722099 0.000000 3.888086\nKr\n3\ndirect\n0.000000 0.000000 0.000000 Kr\n0.777799 0.777799 0.777799 Kr\n0.222201 0.222201 0.222201 Kr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.1246018913575826,
"density_atomic": 0.01526844513370146,
"volume": 196.48366115408922,
"volume_molar": 39.44174215033565,
"formula_full": "Kr3",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.16860712,
"energy_per_atom": -0.05620237333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.16860712,
"band_gap": 7.0685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.846000Z",
"spacegroup": 166
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
},
{
"id": "mp-1120447",
"created_at": "2022-09-04T14:44:52.948138Z",
"structure_string": "Si8\n1.0\n-5.047026 0.000000 0.000000\n-0.586684 -5.401043 0.000000\n2.269856 2.075411 6.179149\nSi\n8\ndirect\n0.757538 0.979653 0.117539 Si\n0.447467 0.795478 0.743508 Si\n0.755446 0.425250 0.308223 Si\n0.066436 0.786301 0.893959 Si\n0.451868 0.774605 0.245690 Si\n0.751369 0.441310 0.652432 Si\n0.051034 0.781274 0.390390 Si\n0.751409 0.000983 0.625969 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.2150289147192517,
"density_atomic": 0.04749502738608576,
"volume": 168.43868590638388,
"volume_molar": 12.679518449470901,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -40.4224669,
"energy_per_atom": -5.0528083625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.4224669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.622000Z",
"spacegroup": 1
}
]
}