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=29",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=27",
"results": [
{
"id": "mp-1023923",
"created_at": "2022-09-04T14:45:23.285388Z",
"structure_string": "O6\n1.0\n4.559327 -2.468583 0.000000\n4.559327 2.468583 0.000000\n3.222748 0.000000 4.061436\nO\n6\ndirect\n0.068161 0.264826 0.926882 O\n0.264826 0.926882 0.068161 O\n0.926882 0.068161 0.264826 O\n0.568161 0.426882 0.764826 O\n0.764826 0.568161 0.426882 O\n0.426882 0.764826 0.568161 O\n",
"nsites": 6,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.7435963820447158,
"density_atomic": 0.06562860385344858,
"volume": 91.423550825464,
"volume_molar": 9.176091530832641,
"formula_full": "O6",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -23.90123367,
"energy_per_atom": -3.983538945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.90123367,
"band_gap": 2.3448,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.068000Z",
"spacegroup": 161
},
{
"id": "mp-1221597",
"created_at": "2022-09-04T14:44:20.720634Z",
"structure_string": "Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.5405933087459964,
"density_atomic": 0.01416077282315193,
"volume": 423.7056885899896,
"volume_molar": 42.526921625027384,
"formula_full": "Na6",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.47045194,
"energy_per_atom": -0.91174199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.47045194,
"band_gap": 0.2698,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.157000Z",
"spacegroup": 216
},
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.10912172706669088,
"density_atomic": 0.0028584297327798594,
"volume": 349.8424287055982,
"volume_molar": 210.68003494853767,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -0.23878791,
"energy_per_atom": -0.23878791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.23878791,
"band_gap": 1.1572999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-1187761",
"created_at": "2022-09-04T14:45:12.740042Z",
"structure_string": "Xe4\n1.0\n2.418309 -4.188633 0.000000\n2.418309 4.188633 0.000000\n0.000000 0.000000 15.642784\nXe\n4\ndirect\n0.000000 0.000000 0.000000 Xe\n0.333333 0.666667 0.250000 Xe\n0.000000 0.000000 0.500000 Xe\n0.666667 0.333333 0.750000 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7518357881595743,
"density_atomic": 0.012622106639675694,
"volume": 316.9043103650069,
"volume_molar": 47.71105911171997,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.13871869,
"energy_per_atom": -0.0346796725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13871869,
"band_gap": 6.1951,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.482000Z",
"spacegroup": 194
},
{
"id": "mp-1022725",
"created_at": "2022-09-04T14:46:40.067157Z",
"structure_string": "Sn1\n1.0\n0.000000 2.406666 2.406666\n2.406666 0.000000 2.406666\n2.406666 2.406666 0.000000\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.070643473374787,
"density_atomic": 0.035869269880509785,
"volume": 27.87901742442123,
"volume_molar": 16.78913671803573,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.95531502,
"energy_per_atom": -3.95531502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.95531502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.618000Z",
"spacegroup": 225
},
{
"id": "mp-88",
"created_at": "2022-09-04T14:44:22.018299Z",
"structure_string": "Dy2\n1.0\n1.813352 -3.140817 0.000000\n1.813352 3.140817 0.000000\n0.000000 0.000000 5.616372\nDy\n2\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.435714028256431,
"density_atomic": 0.03126218911189083,
"volume": 63.975046432026204,
"volume_molar": 19.263336737059877,
"formula_full": "Dy2",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -9.17815006,
"energy_per_atom": -4.58907503,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17815006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1674133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.931000Z",
"spacegroup": 194
},
{
"id": "mp-557488",
"created_at": "2022-09-04T14:45:05.298826Z",
"structure_string": "S36\n1.0\n7.817679 0.000000 0.000000\n0.000000 11.169277 0.000000\n0.000000 10.821696 13.578070\nS\n36\ndirect\n0.528514 0.836252 0.447940 S\n0.572960 0.285463 0.412061 S\n0.481406 0.355140 0.660394 S\n0.971486 0.836252 0.947940 S\n0.018594 0.355140 0.160394 S\n0.943569 0.509199 0.181868 S\n0.038380 0.833877 0.352518 S\n0.733892 0.756437 0.254109 S\n0.538380 0.166123 0.147482 S\n0.750560 0.945115 0.939129 S\n0.427040 0.714537 0.587939 S\n0.072960 0.714537 0.087939 S\n0.946375 0.667388 0.346085 S\n0.443569 0.490801 0.318132 S\n0.451834 0.201942 0.022049 S\n0.553625 0.667388 0.846085 S\n0.927040 0.285463 0.912061 S\n0.249440 0.054885 0.060871 S\n0.461620 0.833877 0.852518 S\n0.250560 0.054885 0.560871 S\n0.981406 0.644860 0.839606 S\n0.556431 0.509199 0.681868 S\n0.471486 0.163748 0.552060 S\n0.548166 0.798058 0.977951 S\n0.518594 0.644860 0.339606 S\n0.961620 0.166123 0.647482 S\n0.053625 0.332612 0.653915 S\n0.266108 0.243563 0.745891 S\n0.766108 0.756437 0.754109 S\n0.056431 0.490801 0.818132 S\n0.749440 0.945115 0.439129 S\n0.233892 0.243563 0.245891 S\n0.951834 0.798058 0.477951 S\n0.028514 0.163748 0.052060 S\n0.446375 0.332612 0.153915 S\n0.048166 0.201942 0.522049 S\n",
"nsites": 36,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.616746403613377,
"density_atomic": 0.03036418031856597,
"volume": 1185.6075027320283,
"volume_molar": 19.833042409900997,
"formula_full": "S36",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -148.31212235,
"energy_per_atom": -4.119781176388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.31212235,
"band_gap": 2.4187,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001502,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.302000Z",
"spacegroup": 14
},
{
"id": "mp-39",
"created_at": "2022-09-04T14:39:18.201038Z",
"structure_string": "Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.90121145338983,
"density_atomic": 0.03212034928955766,
"volume": 31.132911755884933,
"volume_molar": 18.748677686259782,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.36165298,
"energy_per_atom": -2.36165298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.36165298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.186000Z",
"spacegroup": 229
},
{
"id": "mp-684673",
"created_at": "2022-09-04T14:43:07.186362Z",
"structure_string": "S1\n1.0\n0.000000 1.993812 1.993812\n1.993812 0.000000 1.993812\n1.993812 1.993812 0.000000\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3589050667306677,
"density_atomic": 0.06308373341125703,
"volume": 15.851947022234326,
"volume_molar": 9.546265628795794,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.83516414,
"energy_per_atom": -2.83516414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.83516414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.117000Z",
"spacegroup": 225
},
{
"id": "mp-1183897",
"created_at": "2022-09-04T14:44:43.315426Z",
"structure_string": "Cs20\n1.0\n13.375494 0.000000 0.000000\n0.000000 13.375494 0.000000\n0.000000 0.000000 13.375494\nCs\n20\ndirect\n0.875000 0.703483 0.046517 Cs\n0.062325 0.062325 0.062325 Cs\n0.203483 0.453483 0.125000 Cs\n0.812325 0.312325 0.187675 Cs\n0.453483 0.125000 0.203483 Cs\n0.546517 0.625000 0.296517 Cs\n0.187675 0.812325 0.312325 Cs\n0.796517 0.953483 0.375000 Cs\n0.937675 0.562325 0.437675 Cs\n0.125000 0.203483 0.453483 Cs\n0.625000 0.296517 0.546517 Cs\n0.437675 0.937675 0.562325 Cs\n0.296517 0.546517 0.625000 Cs\n0.687675 0.687675 0.687675 Cs\n0.046517 0.875000 0.703483 Cs\n0.953483 0.375000 0.796517 Cs\n0.312325 0.187675 0.812325 Cs\n0.703483 0.046517 0.875000 Cs\n0.562325 0.437675 0.937675 Cs\n0.375000 0.796517 0.953483 Cs\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.844558345187755,
"density_atomic": 0.008357964131486529,
"volume": 2392.927235073315,
"volume_molar": 72.05272319024556,
"formula_full": "Cs20",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -17.13450952,
"energy_per_atom": -0.856725476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13450952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0715511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.654000Z",
"spacegroup": 213
},
{
"id": "mp-606949",
"created_at": "2022-09-04T14:43:19.844045Z",
"structure_string": "C12\n1.0\n1.233622 -2.136696 0.000000\n1.233622 2.136696 0.000000\n0.000000 0.000000 31.982971\nC\n12\ndirect\n0.666667 0.333333 0.633100 C\n0.666667 0.333333 0.133097 C\n0.666667 0.333333 0.366903 C\n0.666667 0.333333 0.866900 C\n0.000000 0.000000 0.250000 C\n0.333333 0.666667 0.866903 C\n0.000000 0.000000 0.750000 C\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.366900 C\n0.333333 0.666667 0.750000 C\n0.333333 0.666667 0.133100 C\n0.333333 0.666667 0.633097 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.4194660839334783,
"density_atomic": 0.07117174323267973,
"volume": 168.6062397090478,
"volume_molar": 8.461420904518228,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -110.62110479,
"energy_per_atom": -9.218425399166668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.62110479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.163000Z",
"spacegroup": 194
},
{
"id": "mp-1196583",
"created_at": "2022-09-04T14:44:27.728948Z",
"structure_string": "C240\n1.0\n14.295700 0.000000 0.000000\n0.000000 14.295700 0.000000\n-0.000000 -0.000000 14.295700\nC\n240\ndirect\n0.399630 0.724993 0.967534 C\n0.600371 0.224993 0.532466 C\n0.100371 0.275007 0.467534 C\n0.899629 0.775007 0.032466 C\n0.967534 0.399630 0.724993 C\n0.532466 0.600371 0.224993 C\n0.467534 0.100371 0.275007 C\n0.032466 0.899629 0.775007 C\n0.724993 0.967534 0.399630 C\n0.224993 0.532466 0.600371 C\n0.275007 0.467534 0.100371 C\n0.775007 0.032466 0.899629 C\n0.600371 0.275007 0.032466 C\n0.399630 0.775007 0.467534 C\n0.899629 0.724993 0.532466 C\n0.100371 0.224993 0.967534 C\n0.032466 0.600371 0.275007 C\n0.467534 0.399630 0.775007 C\n0.532466 0.899629 0.724993 C\n0.967534 0.100371 0.224993 C\n0.275007 0.032466 0.600371 C\n0.775007 0.467534 0.399630 C\n0.724993 0.532466 0.899629 C\n0.224993 0.967534 0.100371 C\n0.493610 0.742233 0.946052 C\n0.506390 0.242233 0.553948 C\n0.006390 0.257767 0.446052 C\n0.993610 0.757767 0.053948 C\n0.946052 0.493610 0.742233 C\n0.553948 0.506390 0.242233 C\n0.446052 0.006390 0.257767 C\n0.053948 0.993610 0.757767 C\n0.742233 0.946052 0.493610 C\n0.242233 0.553948 0.506390 C\n0.257767 0.446052 0.006390 C\n0.757767 0.053948 0.993610 C\n0.506390 0.257767 0.053948 C\n0.493610 0.757767 0.446052 C\n0.993610 0.742233 0.553948 C\n0.006390 0.242233 0.946052 C\n0.053948 0.506390 0.257767 C\n0.446052 0.493610 0.757767 C\n0.553948 0.993610 0.742233 C\n0.946052 0.006390 0.242233 C\n0.257767 0.053948 0.506390 C\n0.757767 0.446052 0.493610 C\n0.742233 0.553948 0.993610 C\n0.242233 0.946052 0.006390 C\n0.372164 0.704062 0.063137 C\n0.627836 0.204062 0.436863 C\n0.127836 0.295938 0.563137 C\n0.872164 0.795938 0.936863 C\n0.063137 0.372164 0.704062 C\n0.436863 0.627836 0.204062 C\n0.563137 0.127836 0.295938 C\n0.936863 0.872164 0.795938 C\n0.704062 0.063137 0.372164 C\n0.204062 0.436863 0.627836 C\n0.295938 0.563137 0.127836 C\n0.795938 0.936863 0.872164 C\n0.627836 0.295938 0.936863 C\n0.372164 0.795938 0.563137 C\n0.872164 0.704062 0.436863 C\n0.127836 0.204062 0.063137 C\n0.936863 0.627836 0.295938 C\n0.563137 0.372164 0.795938 C\n0.436863 0.872164 0.704062 C\n0.063137 0.127836 0.204062 C\n0.295938 0.936863 0.627836 C\n0.795938 0.563137 0.372164 C\n0.704062 0.436863 0.872164 C\n0.204062 0.063137 0.127836 C\n0.534812 0.703117 0.861609 C\n0.465188 0.203117 0.638391 C\n0.965188 0.296883 0.361609 C\n0.034812 0.796883 0.138391 C\n0.861609 0.534812 0.703117 C\n0.638391 0.465188 0.203117 C\n0.361609 0.965188 0.296883 C\n0.138391 0.034812 0.796883 C\n0.703117 0.861609 0.534812 C\n0.203117 0.638391 0.465188 C\n0.296883 0.361609 0.965188 C\n0.796883 0.138391 0.034812 C\n0.465188 0.296883 0.138391 C\n0.534812 0.796883 0.361609 C\n0.034812 0.703117 0.638391 C\n0.965188 0.203117 0.861609 C\n0.138391 0.465188 0.296883 C\n0.361609 0.534812 0.796883 C\n0.638391 0.034812 0.703117 C\n0.861609 0.965188 0.203117 C\n0.296883 0.138391 0.465188 C\n0.796883 0.361609 0.534812 C\n0.703117 0.638391 0.034812 C\n0.203117 0.861609 0.965188 C\n0.342974 0.667929 0.905323 C\n0.657026 0.167929 0.594677 C\n0.157026 0.332071 0.405323 C\n0.842974 0.832071 0.094677 C\n0.905323 0.342974 0.667929 C\n0.594677 0.657026 0.167929 C\n0.405323 0.157026 0.332071 C\n0.094677 0.842974 0.832071 C\n0.667929 0.905323 0.342974 C\n0.167929 0.594677 0.657026 C\n0.332071 0.405323 0.157026 C\n0.832071 0.094677 0.842974 C\n0.657026 0.332071 0.094677 C\n0.342974 0.832071 0.405323 C\n0.842974 0.667929 0.594677 C\n0.157026 0.167929 0.905323 C\n0.094677 0.657026 0.332071 C\n0.405323 0.342974 0.832071 C\n0.594677 0.842974 0.667929 C\n0.905323 0.157026 0.167929 C\n0.332071 0.094677 0.657026 C\n0.832071 0.405323 0.342974 C\n0.667929 0.594677 0.842974 C\n0.167929 0.905323 0.157026 C\n0.537444 0.719521 0.111461 C\n0.462556 0.219521 0.388539 C\n0.962556 0.280479 0.611461 C\n0.037444 0.780479 0.888539 C\n0.111461 0.537444 0.719521 C\n0.388539 0.462556 0.219521 C\n0.611461 0.962556 0.280479 C\n0.888539 0.037444 0.780479 C\n0.719521 0.111461 0.537444 C\n0.219521 0.388539 0.462556 C\n0.280479 0.611461 0.962556 C\n0.780479 0.888539 0.037444 C\n0.462556 0.280479 0.888539 C\n0.537444 0.780479 0.611461 C\n0.037444 0.719521 0.388539 C\n0.962556 0.219521 0.111461 C\n0.888539 0.462556 0.280479 C\n0.611461 0.537444 0.780479 C\n0.388539 0.037444 0.719521 C\n0.111461 0.962556 0.219521 C\n0.280479 0.888539 0.462556 C\n0.780479 0.611461 0.537444 C\n0.719521 0.388539 0.037444 C\n0.219521 0.111461 0.962556 C\n0.563828 0.739695 0.019254 C\n0.436172 0.239695 0.480746 C\n0.936172 0.260305 0.519254 C\n0.063828 0.760305 0.980746 C\n0.019254 0.563828 0.739695 C\n0.480746 0.436172 0.239695 C\n0.519254 0.936172 0.260305 C\n0.980746 0.063828 0.760305 C\n0.739695 0.019254 0.563828 C\n0.239695 0.480746 0.436172 C\n0.260305 0.519254 0.936172 C\n0.760305 0.980746 0.063828 C\n0.436172 0.260305 0.980746 C\n0.563828 0.760305 0.519254 C\n0.063828 0.739695 0.480746 C\n0.936172 0.239695 0.019254 C\n0.980746 0.436172 0.260305 C\n0.519254 0.563828 0.760305 C\n0.480746 0.063828 0.739695 C\n0.019254 0.936172 0.239695 C\n0.260305 0.980746 0.436172 C\n0.760305 0.519254 0.563828 C\n0.739695 0.480746 0.063828 C\n0.239695 0.019254 0.936172 C\n0.439913 0.701311 0.133825 C\n0.560087 0.201311 0.366175 C\n0.060087 0.298689 0.633825 C\n0.939913 0.798689 0.866175 C\n0.133825 0.439913 0.701311 C\n0.366175 0.560087 0.201311 C\n0.633825 0.060087 0.298689 C\n0.866175 0.939913 0.798689 C\n0.701311 0.133825 0.439913 C\n0.201311 0.366175 0.560087 C\n0.298689 0.633825 0.060087 C\n0.798689 0.866175 0.939913 C\n0.560087 0.298689 0.866175 C\n0.439913 0.798689 0.633825 C\n0.939913 0.701311 0.366175 C\n0.060087 0.201311 0.133825 C\n0.866175 0.560087 0.298689 C\n0.633825 0.439913 0.798689 C\n0.366175 0.939913 0.701311 C\n0.133825 0.060087 0.201311 C\n0.298689 0.866175 0.560087 C\n0.798689 0.633825 0.439913 C\n0.701311 0.366175 0.939913 C\n0.201311 0.133825 0.060087 C\n0.480226 0.648184 0.801623 C\n0.519774 0.148184 0.698377 C\n0.019774 0.351816 0.301623 C\n0.980226 0.851816 0.198377 C\n0.801623 0.480226 0.648184 C\n0.698377 0.519774 0.148184 C\n0.301623 0.019774 0.351816 C\n0.198377 0.980226 0.851816 C\n0.648184 0.801623 0.480226 C\n0.148184 0.698377 0.519774 C\n0.351816 0.301623 0.019774 C\n0.851816 0.198377 0.980226 C\n0.519774 0.351816 0.198377 C\n0.480226 0.851816 0.301623 C\n0.980226 0.648184 0.698377 C\n0.019774 0.148184 0.801623 C\n0.198377 0.519774 0.351816 C\n0.301623 0.480226 0.851816 C\n0.698377 0.980226 0.648184 C\n0.801623 0.019774 0.148184 C\n0.351816 0.198377 0.519774 C\n0.851816 0.301623 0.480226 C\n0.648184 0.698377 0.980226 C\n0.148184 0.801623 0.019774 C\n0.382696 0.630239 0.823966 C\n0.617304 0.130239 0.676034 C\n0.117304 0.369761 0.323966 C\n0.882696 0.869761 0.176034 C\n0.823966 0.382696 0.630239 C\n0.676034 0.617304 0.130239 C\n0.323966 0.117304 0.369761 C\n0.176034 0.882696 0.869761 C\n0.630239 0.823966 0.382696 C\n0.130239 0.676034 0.617304 C\n0.369761 0.323966 0.117304 C\n0.869761 0.176034 0.882696 C\n0.617304 0.369761 0.176034 C\n0.382696 0.869761 0.323966 C\n0.882696 0.630239 0.676034 C\n0.117304 0.130239 0.823966 C\n0.176034 0.617304 0.369761 C\n0.323966 0.382696 0.869761 C\n0.676034 0.882696 0.630239 C\n0.823966 0.117304 0.130239 C\n0.369761 0.176034 0.617304 C\n0.869761 0.323966 0.382696 C\n0.630239 0.676034 0.882696 C\n0.130239 0.823966 0.117304 C\n",
"nsites": 240,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.6383714871150652,
"density_atomic": 0.0821476160089512,
"volume": 2921.569872141493,
"volume_molar": 7.33087708758803,
"formula_full": "C240",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -2122.47105768,
"energy_per_atom": -8.843629407,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2122.47105768,
"band_gap": 1.3604,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.046000Z",
"spacegroup": 205
}
]
}