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=elements&page=2",
"previous": null,
"results": [
{
"id": "mp-1183057",
"created_at": "2022-09-04T14:41:15.153496Z",
"structure_string": "Ac3\n1.0\n2.001328 -3.466402 0.000000\n2.001328 3.466402 0.000000\n0.000000 0.000000 9.803856\nAc\n3\ndirect\n0.655046 0.655046 0.000000 Ac\n0.344954 0.000000 0.333333 Ac\n0.000000 0.344954 0.666667 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.313273945401516,
"density_atomic": 0.02205449598808345,
"volume": 136.02668597010646,
"volume_molar": 27.30572833427661,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.31676763,
"energy_per_atom": -4.10558921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31676763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0228007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.599000Z",
"spacegroup": 152
},
{
"id": "mp-862690",
"created_at": "2022-09-04T14:41:27.414333Z",
"structure_string": "Ac4\n1.0\n2.010411 -3.482133 0.000000\n2.010411 3.482133 0.000000\n0.000000 0.000000 13.003380\nAc\n4\ndirect\n0.000000 0.000000 0.000000 Ac\n0.333333 0.666667 0.250000 Ac\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.750000 Ac\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.281680834291894,
"density_atomic": 0.021970681819707145,
"volume": 182.06080415820784,
"volume_molar": 27.409894737988026,
"formula_full": "Ac4",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -16.48470003,
"energy_per_atom": -4.1211750075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.48470003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0293319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.106000Z",
"spacegroup": 194
},
{
"id": "mp-1183069",
"created_at": "2022-09-04T14:45:32.661699Z",
"structure_string": "Ac3\n1.0\n9.731660 -2.006425 0.000000\n9.731660 2.006425 0.000000\n9.317985 0.000000 3.450521\nAc\n3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.777399 0.777399 0.777399 Ac\n0.222601 0.222601 0.222601 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.392119917536471,
"density_atomic": 0.02226366847386311,
"volume": 134.74868274839395,
"volume_molar": 27.049184491180398,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.228251020000002,
"energy_per_atom": -4.076083673333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.228251020000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.266000Z",
"spacegroup": 166
},
{
"id": "mp-10018",
"created_at": "2022-09-04T14:42:04.680859Z",
"structure_string": "Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.305512650126095,
"density_atomic": 0.022033905850354526,
"volume": 45.38459984315082,
"volume_molar": 27.331244859172816,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -4.10076552,
"energy_per_atom": -4.10076552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10076552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.982000Z",
"spacegroup": 225
},
{
"id": "mp-989737",
"created_at": "2022-09-04T14:45:14.737132Z",
"structure_string": "Ag3\n1.0\n7.254673 -1.473047 0.000000\n7.254673 1.473047 0.000000\n6.955573 0.000000 2.533800\nAg\n3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.777719 0.777719 0.777719 Ag\n0.222281 0.222281 0.222281 Ag\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.922634874594548,
"density_atomic": 0.055396774902653004,
"volume": 54.15477715574246,
"volume_molar": 10.87092302861045,
"formula_full": "Ag3",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -8.49766801,
"energy_per_atom": -2.8325560033333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.49766801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.107000Z",
"spacegroup": 166
},
{
"id": "mp-10597",
"created_at": "2022-09-04T14:46:42.507441Z",
"structure_string": "Ag2\n1.0\n1.476324 -2.557068 0.000000\n1.476324 2.557068 0.000000\n0.000000 0.000000 4.798321\nAg\n2\ndirect\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.888473947036914,
"density_atomic": 0.05520605890450403,
"volume": 36.22790758274593,
"volume_molar": 10.908477945178365,
"formula_full": "Ag2",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -5.6500297,
"energy_per_atom": -2.82501485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.6500297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.726000Z",
"spacegroup": 194
},
{
"id": "mp-8566",
"created_at": "2022-09-04T14:42:04.924127Z",
"structure_string": "Ag4\n1.0\n1.475603 -2.555819 0.000000\n1.475603 2.555819 0.000000\n0.000000 0.000000 9.585754\nAg\n4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.90938316383208,
"density_atomic": 0.05532279233174705,
"volume": 72.30293033680795,
"volume_molar": 10.88546059621829,
"formula_full": "Ag4",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -11.30131807,
"energy_per_atom": -2.8253295175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30131807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.746000Z",
"spacegroup": 194
},
{
"id": "mp-124",
"created_at": "2022-09-04T14:46:26.019249Z",
"structure_string": "Ag1\n1.0\n0.000000 2.080274 2.080274\n2.080274 0.000000 2.080274\n2.080274 2.080274 0.000000\nAg\n1\ndirect\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.948346655461544,
"density_atomic": 0.05554032041803643,
"volume": 18.004937538589626,
"volume_molar": 10.842826823239468,
"formula_full": "Ag1",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -2.82894684,
"energy_per_atom": -2.82894684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.82894684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.184000Z",
"spacegroup": 225
},
{
"id": "mp-1245067",
"created_at": "2022-09-04T14:40:58.399472Z",
"structure_string": "Al100\n1.0\n11.949980 0.464068 0.763081\n0.473635 12.322697 -0.289681\n0.787323 -0.292709 12.246149\nAl\n100\ndirect\n0.009674 0.737446 0.304327 Al\n0.357928 0.032694 0.358222 Al\n0.648360 0.408836 0.628776 Al\n0.497407 0.690001 0.921415 Al\n0.812846 0.309185 0.000476 Al\n0.786400 0.858633 0.939195 Al\n0.988085 0.314677 0.306242 Al\n0.313129 0.178240 0.705299 Al\n0.946273 0.525485 0.263969 Al\n0.253047 0.047902 0.172302 Al\n0.371880 0.305206 0.956101 Al\n0.736067 0.621816 0.214009 Al\n0.749032 0.660165 0.646162 Al\n0.105380 0.463619 0.444865 Al\n0.144008 0.010556 0.988270 Al\n0.703417 0.659949 0.000582 Al\n0.184950 0.430053 0.227133 Al\n0.181656 0.213700 0.897314 Al\n0.722954 0.024443 0.189848 Al\n0.128196 0.226234 0.125416 Al\n0.687517 0.689546 0.432719 Al\n0.675857 0.161693 0.782155 Al\n0.150443 0.775188 0.952140 Al\n0.363882 0.375093 0.357535 Al\n0.022055 0.238255 0.500379 Al\n0.678708 0.534884 0.818740 Al\n0.925062 0.960242 0.064773 Al\n0.129938 0.981874 0.361376 Al\n0.803810 0.207402 0.590182 Al\n0.252989 0.412563 0.783776 Al\n0.450755 0.676959 0.479117 Al\n0.417193 0.835166 0.245495 Al\n0.788891 0.205525 0.367390 Al\n0.089516 0.715258 0.728635 Al\n0.391746 0.855797 0.825855 Al\n0.633194 0.830012 0.141533 Al\n0.541950 0.149244 0.975985 Al\n0.605948 0.345867 0.914507 Al\n0.893676 0.510058 0.043122 Al\n0.897981 0.180164 0.153224 Al\n0.195490 0.087579 0.542451 Al\n0.418070 0.438808 0.139019 Al\n0.721707 0.970582 0.648048 Al\n0.093382 0.610273 0.114367 Al\n0.303678 0.793651 0.643877 Al\n0.018123 0.912478 0.845594 Al\n0.295944 0.586567 0.364846 Al\n0.584248 0.325554 0.407112 Al\n0.798221 0.826005 0.277786 Al\n0.036031 0.501029 0.684849 Al\n0.943218 0.032535 0.513325 Al\n0.393900 0.211969 0.492804 Al\n0.102206 0.703461 0.494800 Al\n0.491271 0.646825 0.140707 Al\n0.562300 0.825172 0.601453 Al\n0.519473 0.627654 0.681894 Al\n0.644027 0.465292 0.090034 Al\n0.436552 0.444842 0.572274 Al\n0.278936 0.833849 0.434565 Al\n0.406631 0.989839 0.570337 Al\n0.103142 0.884149 0.162291 Al\n0.627926 0.241542 0.163204 Al\n0.297387 0.643564 0.802527 Al\n0.888632 0.059268 0.746474 Al\n0.310057 0.591358 0.021346 Al\n0.505463 0.033115 0.760555 Al\n0.557625 0.882917 0.386932 Al\n0.335851 0.848548 0.046773 Al\n0.087853 0.902231 0.609184 Al\n0.218496 0.994484 0.755300 Al\n0.059158 0.198757 0.715412 Al\n0.002879 0.369254 0.868479 Al\n0.813505 0.333764 0.775898 Al\n0.630612 0.825446 0.803405 Al\n0.913223 0.735049 0.067724 Al\n0.488439 0.012558 0.137522 Al\n0.591793 0.145800 0.568368 Al\n0.875757 0.638879 0.832361 Al\n0.244757 0.566708 0.594761 Al\n0.158599 0.409976 0.011714 Al\n0.205839 0.220260 0.345692 Al\n0.242451 0.719978 0.216090 Al\n0.484489 0.290898 0.731710 Al\n0.081085 0.574142 0.895269 Al\n0.912399 0.602361 0.476432 Al\n0.732398 0.999722 0.430035 Al\n0.877223 0.824191 0.715763 Al\n0.354643 0.062095 0.946450 Al\n0.742888 0.472646 0.428389 Al\n0.544434 0.522302 0.318808 Al\n0.867075 0.822588 0.494050 Al\n0.973911 0.142772 0.928679 Al\n0.881864 0.415328 0.576680 Al\n0.559440 0.115717 0.340559 Al\n0.759469 0.087402 0.973703 Al\n0.786940 0.382440 0.223069 Al\n0.451993 0.487293 0.842999 Al\n0.926427 0.011578 0.289239 Al\n0.204519 0.335460 0.582679 Al\n0.384841 0.225119 0.172429 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5002193184969808,
"density_atomic": 0.05580361036958565,
"volume": 1791.9987495021016,
"volume_molar": 10.791668711245636,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.12671435,
"energy_per_atom": -3.6312671434999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.12671435,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.476000Z",
"spacegroup": 1
},
{
"id": "mp-1245307",
"created_at": "2022-09-04T14:40:11.239257Z",
"structure_string": "Al100\n1.0\n12.153519 0.100314 0.547480\n0.104362 12.174805 -0.268294\n0.555563 -0.275799 11.972385\nAl\n100\ndirect\n0.188257 0.892714 0.249337 Al\n0.245212 0.099107 0.173538 Al\n0.860240 0.458646 0.507826 Al\n0.704840 0.777073 0.812432 Al\n0.040338 0.300769 0.766166 Al\n0.797774 0.490674 0.044276 Al\n0.990660 0.471922 0.174093 Al\n0.435545 0.304283 0.632529 Al\n0.942220 0.677847 0.089502 Al\n0.234667 0.165153 0.951660 Al\n0.417502 0.271735 0.869739 Al\n0.520074 0.619094 0.315107 Al\n0.660223 0.935370 0.638127 Al\n0.081389 0.483431 0.416264 Al\n0.091117 0.016523 0.024185 Al\n0.816707 0.295863 0.910998 Al\n0.105778 0.672513 0.256325 Al\n0.368855 0.279310 0.095403 Al\n0.770887 0.075281 0.217687 Al\n0.151968 0.282093 0.298721 Al\n0.734232 0.655370 0.202167 Al\n0.556505 0.893752 0.958253 Al\n0.148568 0.878710 0.842379 Al\n0.307096 0.410794 0.413592 Al\n0.926254 0.323782 0.332043 Al\n0.999460 0.512900 0.683625 Al\n0.774415 0.857734 0.281677 Al\n0.112195 0.070087 0.396348 Al\n0.721609 0.256291 0.408864 Al\n0.231919 0.419766 0.851493 Al\n0.191612 0.625137 0.602846 Al\n0.377413 0.911627 0.120899 Al\n0.603731 0.240531 0.218661 Al\n0.006164 0.766216 0.703781 Al\n0.350158 0.681820 0.138854 Al\n0.580036 0.572239 0.079595 Al\n0.445799 0.085299 0.998799 Al\n0.631056 0.277509 0.796084 Al\n0.003683 0.458409 0.934404 Al\n0.995567 0.133573 0.209059 Al\n0.220188 0.017675 0.605201 Al\n0.388699 0.221423 0.301654 Al\n0.334940 0.799887 0.925399 Al\n0.940605 0.846045 0.918772 Al\n0.285071 0.819064 0.673123 Al\n0.866417 0.063890 0.924717 Al\n0.288384 0.631495 0.381162 Al\n0.533583 0.384438 0.419087 Al\n0.816940 0.816361 0.505744 Al\n0.105643 0.650658 0.852396 Al\n0.891964 0.103050 0.435975 Al\n0.331572 0.024027 0.378352 Al\n0.015054 0.692558 0.492513 Al\n0.241407 0.479213 0.220682 Al\n0.492744 0.830266 0.742302 Al\n0.587920 0.631616 0.672907 Al\n0.598585 0.346179 0.017217 Al\n0.486083 0.461711 0.788145 Al\n0.197386 0.829393 0.468881 Al\n0.450471 0.943770 0.542714 Al\n0.936124 0.914682 0.140892 Al\n0.824136 0.280410 0.136686 Al\n0.386445 0.483007 0.005573 Al\n0.834610 0.347119 0.694861 Al\n0.513613 0.662523 0.902352 Al\n0.505469 0.106219 0.708510 Al\n0.437580 0.715042 0.532854 Al\n0.562959 0.794890 0.168573 Al\n0.009630 0.946455 0.566560 Al\n0.080237 0.081106 0.800893 Al\n0.257639 0.205349 0.729106 Al\n0.160919 0.349043 0.066022 Al\n0.648576 0.408541 0.604440 Al\n0.849510 0.933691 0.736180 Al\n0.750733 0.828128 0.042453 Al\n0.536626 0.023599 0.241892 Al\n0.677704 0.019121 0.424113 Al\n0.873617 0.635279 0.870597 Al\n0.407118 0.512305 0.583920 Al\n0.174150 0.574335 0.038573 Al\n0.254719 0.212058 0.499306 Al\n0.134839 0.795033 0.054816 Al\n0.502831 0.154288 0.471984 Al\n0.324942 0.619475 0.784380 Al\n0.816279 0.641757 0.646227 Al\n0.711644 0.158038 0.609831 Al\n0.917244 0.135843 0.671863 Al\n0.339710 0.999364 0.813568 Al\n0.716681 0.442044 0.270561 Al\n0.682007 0.589266 0.458880 Al\n0.888514 0.616738 0.338861 Al\n0.007127 0.224516 0.988341 Al\n0.028299 0.281862 0.526605 Al\n0.609988 0.803398 0.424836 Al\n0.663982 0.112619 0.021149 Al\n0.468954 0.429257 0.215426 Al\n0.696224 0.506226 0.841830 Al\n0.984892 0.868047 0.353800 Al\n0.200551 0.401122 0.624559 Al\n0.398487 0.818831 0.331264 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.5359413021109067,
"density_atomic": 0.05660090668694175,
"volume": 1766.7561502697754,
"volume_molar": 10.6396542255203,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -363.80262889,
"energy_per_atom": -3.6380262889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.80262889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.663000Z",
"spacegroup": 1
},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-1244953",
"created_at": "2022-09-04T14:43:56.394719Z",
"structure_string": "Al100\n1.0\n12.106513 0.494046 -0.459812\n0.544770 12.218123 -1.062068\n-0.451342 -1.023008 12.082797\nAl\n100\ndirect\n0.986556 0.861433 0.443099 Al\n0.415822 0.060273 0.381748 Al\n0.521757 0.567268 0.589619 Al\n0.482303 0.850464 0.863552 Al\n0.852739 0.262358 0.893032 Al\n0.647683 0.888319 0.034838 Al\n0.043582 0.406454 0.416519 Al\n0.410264 0.010921 0.590315 Al\n0.827346 0.479051 0.350504 Al\n0.096583 0.054982 0.059058 Al\n0.272913 0.156882 0.915707 Al\n0.629226 0.761210 0.210375 Al\n0.635559 0.665467 0.939902 Al\n0.267565 0.410793 0.469199 Al\n0.019329 0.810477 0.844109 Al\n0.510639 0.558401 0.118968 Al\n0.167795 0.533495 0.305202 Al\n0.333194 0.430597 0.705401 Al\n0.890096 0.163085 0.098405 Al\n0.971583 0.361519 0.178469 Al\n0.422122 0.790766 0.624481 Al\n0.556634 0.358293 0.666518 Al\n0.298933 0.937533 0.996576 Al\n0.371787 0.415439 0.216933 Al\n0.225711 0.145163 0.673952 Al\n0.816510 0.490029 0.961858 Al\n0.885753 0.930977 0.052962 Al\n0.204505 0.194233 0.443279 Al\n0.923666 0.276985 0.516573 Al\n0.435429 0.622841 0.809482 Al\n0.288639 0.612568 0.608117 Al\n0.452133 0.765250 0.059864 Al\n0.834307 0.076945 0.413400 Al\n0.088004 0.728716 0.632081 Al\n0.251297 0.695562 0.962884 Al\n0.840959 0.857028 0.256115 Al\n0.360006 0.189054 0.123783 Al\n0.625587 0.229555 0.834411 Al\n0.730743 0.551180 0.164680 Al\n0.793092 0.257877 0.292454 Al\n0.226571 0.952524 0.406396 Al\n0.477808 0.323140 0.018281 Al\n0.611311 0.125736 0.582318 Al\n0.152553 0.447526 0.076477 Al\n0.594705 0.957632 0.719461 Al\n0.091614 0.831243 0.061833 Al\n0.295429 0.620842 0.166710 Al\n0.379508 0.593925 0.397719 Al\n0.791352 0.714352 0.384787 Al\n0.121224 0.354832 0.627681 Al\n0.975977 0.950536 0.665847 Al\n0.599142 0.184135 0.367621 Al\n0.957642 0.531407 0.620418 Al\n0.714241 0.328447 0.056586 Al\n0.862130 0.755051 0.630139 Al\n0.641818 0.726297 0.729270 Al\n0.065929 0.250264 0.977637 Al\n0.483921 0.385528 0.426861 Al\n0.281357 0.843969 0.198488 Al\n0.209181 0.916258 0.615882 Al\n0.031843 0.968710 0.259595 Al\n0.582746 0.178448 0.137404 Al\n0.036164 0.612857 0.978709 Al\n0.941502 0.045637 0.886646 Al\n0.341390 0.486320 0.947418 Al\n0.781772 0.076325 0.733024 Al\n0.436470 0.809991 0.370064 Al\n0.471861 0.986517 0.166246 Al\n0.208472 0.741476 0.445341 Al\n0.266013 0.794171 0.786068 Al\n0.781626 0.282603 0.677653 Al\n0.966290 0.421835 0.805298 Al\n0.714500 0.502936 0.741209 Al\n0.786539 0.877510 0.838150 Al\n0.953250 0.578672 0.184795 Al\n0.490218 0.075962 0.923755 Al\n0.624006 0.953977 0.363889 Al\n0.828191 0.716871 0.056857 Al\n0.997417 0.630077 0.432048 Al\n0.189107 0.347875 0.845439 Al\n0.239675 0.069989 0.231978 Al\n0.087727 0.742465 0.249500 Al\n0.408198 0.240266 0.785912 Al\n0.144918 0.570961 0.775886 Al\n0.739560 0.587183 0.545942 Al\n0.774185 0.933505 0.538717 Al\n0.862771 0.651716 0.825793 Al\n0.149659 0.997324 0.824579 Al\n0.614326 0.792395 0.521934 Al\n0.605251 0.394080 0.247231 Al\n0.048981 0.075619 0.511800 Al\n0.005406 0.190463 0.725603 Al\n0.705792 0.368465 0.491267 Al\n0.739407 0.043623 0.202934 Al\n0.716932 0.081503 0.962727 Al\n0.594814 0.606139 0.357729 Al\n0.574734 0.455167 0.898083 Al\n0.015830 0.187595 0.305715 Al\n0.400825 0.236915 0.549554 Al\n0.190552 0.299002 0.246574 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.532974814993734,
"density_atomic": 0.05653469621891266,
"volume": 1768.8252823148064,
"volume_molar": 10.652114829946504,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -364.98522018,
"energy_per_atom": -3.6498522018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.98522018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.662000Z",
"spacegroup": 1
}
]
}