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=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12185",
"results": [
{
"id": "mp-990448",
"created_at": "2022-09-04T14:46:01.467739Z",
"structure_string": "C2\n1.0\n1.234208 -2.137711 0.000000\n1.234208 2.137711 0.000000\n0.000000 0.000000 9.999058\nC\n2\ndirect\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.7559985807980227,
"density_atomic": 0.03790561640453306,
"volume": 52.76262964980629,
"volume_molar": 15.887199130944149,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.4390575,
"energy_per_atom": -9.21952875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.4390575,
"band_gap": 9.9999999999989e-05,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.639000Z",
"spacegroup": 191
},
{
"id": "mp-1244913",
"created_at": "2022-09-04T14:45:59.057073Z",
"structure_string": "C100\n1.0\n10.676986 0.014026 0.303512\n0.019613 10.737367 -0.470846\n0.291581 -0.474653 10.412325\nC\n100\ndirect\n0.702196 0.589171 0.071799 C\n0.767460 0.916671 0.898162 C\n0.520835 0.607691 0.769295 C\n0.019672 0.660022 0.221917 C\n0.020399 0.516714 0.543864 C\n0.113525 0.533171 0.448133 C\n0.782043 0.427325 0.361170 C\n0.115028 0.084909 0.851911 C\n0.354379 0.273765 0.687861 C\n0.132614 0.971385 0.829185 C\n0.406379 0.565725 0.850047 C\n0.019124 0.415868 0.752921 C\n0.363863 0.608332 0.080727 C\n0.459395 0.046887 0.505807 C\n0.761800 0.039833 0.868420 C\n0.720527 0.335708 0.288976 C\n0.144283 0.746557 0.048066 C\n0.231102 0.803948 0.958270 C\n0.090123 0.504040 0.670205 C\n0.109082 0.976179 0.109517 C\n0.228348 0.682134 0.655826 C\n0.776488 0.363297 0.785772 C\n0.704988 0.255703 0.793188 C\n0.407010 0.191962 0.218213 C\n0.023347 0.198019 0.646223 C\n0.941611 0.704037 0.874220 C\n0.896316 0.498837 0.349688 C\n0.192781 0.284141 0.938651 C\n0.756674 0.875431 0.019570 C\n0.550538 0.519124 0.443429 C\n0.450755 0.461534 0.378664 C\n0.525067 0.605205 0.922271 C\n0.284761 0.292367 0.037738 C\n0.063088 0.730336 0.813732 C\n0.574442 0.559883 0.045293 C\n0.968674 0.778148 0.267151 C\n0.737162 0.805727 0.109162 C\n0.751657 0.141844 0.826556 C\n0.472656 0.983724 0.114346 C\n0.962259 0.560402 0.266078 C\n0.789564 0.034574 0.372854 C\n0.654077 0.682368 0.293993 C\n0.466985 0.552495 0.135016 C\n0.755028 0.813055 0.794913 C\n0.579404 0.017218 0.471965 C\n0.401806 0.666516 0.963094 C\n0.275346 0.349313 0.518641 C\n0.913846 0.651910 0.985793 C\n0.635985 0.492516 0.553664 C\n0.199760 0.527896 0.365559 C\n0.108182 0.869395 0.021982 C\n0.939502 0.884087 0.309842 C\n0.368163 0.353917 0.416223 C\n0.018993 0.080499 0.416608 C\n0.109817 0.216517 0.862195 C\n0.396255 0.227580 0.358511 C\n0.273517 0.387862 0.946048 C\n0.820053 0.703694 0.814604 C\n0.901165 0.505001 0.496537 C\n0.251919 0.048946 0.415122 C\n0.283639 0.536313 0.262050 C\n0.137675 0.663713 0.138711 C\n0.703616 0.701294 0.170024 C\n0.265949 0.929588 0.440660 C\n0.323806 0.457774 0.849778 C\n0.274159 0.749123 0.575097 C\n0.011798 0.139049 0.542033 C\n0.576433 0.253511 0.770274 C\n0.546320 0.854739 0.653403 C\n0.770642 0.578463 0.843555 C\n0.607565 0.120605 0.270629 C\n0.500492 0.087578 0.191358 C\n0.659725 0.238556 0.269489 C\n0.029653 0.275797 0.765844 C\n0.540372 0.735210 0.713873 C\n0.644697 0.808339 0.724191 C\n0.123416 0.642078 0.727267 C\n0.288928 0.828643 0.486564 C\n0.134283 0.069764 0.346157 C\n0.131731 0.028124 0.215355 C\n0.251537 0.599181 0.153239 C\n0.801719 0.583104 0.978278 C\n0.413939 0.509333 0.257974 C\n0.314289 0.231490 0.567700 C\n0.763894 0.464518 0.496066 C\n0.425420 0.896895 0.042948 C\n0.617128 0.517543 0.687098 C\n0.604545 0.614347 0.371356 C\n0.130259 0.847649 0.872974 C\n0.521673 0.950100 0.573167 C\n0.666535 0.046951 0.368625 C\n0.223736 0.435823 0.630170 C\n0.912256 0.362978 0.790000 C\n0.358421 0.134665 0.462494 C\n0.717815 0.484191 0.768747 C\n0.365410 0.804249 0.975335 C\n0.343075 0.245537 0.130130 C\n0.295243 0.397716 0.724953 C\n0.467012 0.243549 0.740035 C\n0.910627 0.007101 0.364217 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.6754889811328937,
"density_atomic": 0.08400867967477474,
"volume": 1190.3531919217505,
"volume_molar": 7.168474475868077,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -823.44125448,
"energy_per_atom": -8.2344125448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -823.44125448,
"band_gap": 0.1060000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.0000505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.352000Z",
"spacegroup": 1
},
{
"id": "mp-1205283",
"created_at": "2022-09-04T14:47:08.851056Z",
"structure_string": "C120\n1.0\n9.118096 0.000000 0.000000\n0.000000 9.634506 0.000000\n0.000000 0.000000 13.322437\nC\n120\ndirect\n0.500000 0.267658 0.271796 C\n0.500000 0.732342 0.728204 C\n0.000000 0.232342 0.771796 C\n0.000000 0.767658 0.228204 C\n0.412357 0.759071 0.302712 C\n0.412357 0.240929 0.697288 C\n0.087643 0.740929 0.802712 C\n0.087643 0.259071 0.197288 C\n0.587643 0.240929 0.697288 C\n0.587643 0.759071 0.302712 C\n0.912357 0.259071 0.197288 C\n0.912357 0.740929 0.802712 C\n0.077412 0.392295 0.429945 C\n0.077412 0.607705 0.570055 C\n0.422588 0.107705 0.929945 C\n0.422588 0.892295 0.070055 C\n0.922588 0.607705 0.570055 C\n0.922588 0.392295 0.429945 C\n0.577412 0.892295 0.070055 C\n0.577412 0.107705 0.929945 C\n0.413976 0.489393 0.252007 C\n0.413976 0.510607 0.747993 C\n0.086024 0.010607 0.752007 C\n0.086024 0.989393 0.247993 C\n0.586024 0.510607 0.747993 C\n0.586024 0.489393 0.252007 C\n0.913976 0.989393 0.247993 C\n0.913976 0.010607 0.752007 C\n0.224688 0.602534 0.366641 C\n0.224688 0.397466 0.633359 C\n0.275312 0.897466 0.866641 C\n0.275312 0.102534 0.133359 C\n0.775312 0.397466 0.633359 C\n0.775312 0.602534 0.366641 C\n0.724688 0.102534 0.133359 C\n0.724688 0.897466 0.866641 C\n0.281173 0.760612 0.222119 C\n0.281173 0.239388 0.777881 C\n0.218827 0.739388 0.722119 C\n0.218827 0.260612 0.277881 C\n0.718827 0.239388 0.777881 C\n0.718827 0.760612 0.222119 C\n0.781173 0.260612 0.277881 C\n0.781173 0.739388 0.722119 C\n0.365650 0.348228 0.255963 C\n0.365650 0.651772 0.744037 C\n0.134350 0.151772 0.755963 C\n0.134350 0.848228 0.244037 C\n0.634350 0.651772 0.744037 C\n0.634350 0.348228 0.255963 C\n0.865650 0.848228 0.244037 C\n0.865650 0.151772 0.755963 C\n0.329557 0.620965 0.283501 C\n0.329557 0.379035 0.716499 C\n0.170443 0.879035 0.783501 C\n0.170443 0.120965 0.216499 C\n0.670443 0.379035 0.716499 C\n0.670443 0.620965 0.283501 C\n0.829557 0.120965 0.216499 C\n0.829557 0.879035 0.783501 C\n0.149761 0.491370 0.385322 C\n0.149761 0.508630 0.614678 C\n0.350239 0.008630 0.885322 C\n0.350239 0.991370 0.114678 C\n0.850239 0.508630 0.614678 C\n0.850239 0.491370 0.385322 C\n0.649761 0.991370 0.114678 C\n0.649761 0.008630 0.885322 C\n0.500000 0.833747 0.653448 C\n0.500000 0.166253 0.346552 C\n0.000000 0.666253 0.153448 C\n0.000000 0.333747 0.846552 C\n0.420768 0.861518 0.488122 C\n0.420768 0.138482 0.511878 C\n0.079232 0.638482 0.988122 C\n0.079232 0.361518 0.011878 C\n0.579232 0.138482 0.511878 C\n0.579232 0.861518 0.488122 C\n0.920768 0.361518 0.011878 C\n0.920768 0.638482 0.988122 C\n0.230220 0.719627 0.434901 C\n0.230220 0.280373 0.565099 C\n0.269780 0.780373 0.934901 C\n0.269780 0.219627 0.065099 C\n0.769780 0.280373 0.565099 C\n0.769780 0.719627 0.434901 C\n0.730220 0.219627 0.065099 C\n0.730220 0.780373 0.934901 C\n0.238308 0.783884 0.612484 C\n0.238308 0.216116 0.387516 C\n0.261692 0.716116 0.112484 C\n0.261692 0.283884 0.887516 C\n0.761692 0.216116 0.387516 C\n0.761692 0.783884 0.612484 C\n0.738308 0.283884 0.887516 C\n0.738308 0.716116 0.112484 C\n0.371416 0.849384 0.589412 C\n0.371416 0.150616 0.410588 C\n0.128584 0.650616 0.089412 C\n0.128584 0.349384 0.910588 C\n0.628584 0.150616 0.410588 C\n0.628584 0.849384 0.589412 C\n0.871416 0.349384 0.910588 C\n0.871416 0.650616 0.089412 C\n0.348814 0.802768 0.406359 C\n0.348814 0.197232 0.593641 C\n0.151186 0.697232 0.906359 C\n0.151186 0.302768 0.093641 C\n0.651186 0.197232 0.593641 C\n0.651186 0.802768 0.406359 C\n0.848814 0.302768 0.093641 C\n0.848814 0.697232 0.906359 C\n0.168962 0.719826 0.531859 C\n0.168962 0.280174 0.468141 C\n0.331038 0.780174 0.031859 C\n0.331038 0.219826 0.968141 C\n0.831038 0.280174 0.468141 C\n0.831038 0.719826 0.531859 C\n0.668962 0.219826 0.968141 C\n0.668962 0.780174 0.031859 C\n",
"nsites": 120,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.044943794294427,
"density_atomic": 0.10253306951123002,
"volume": 1170.3541166965347,
"volume_molar": 5.873364358159998,
"formula_full": "C120",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1023.52351202,
"energy_per_atom": -8.529362600166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1023.52351202,
"band_gap": 0.1060000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.024000Z",
"spacegroup": 58
},
{
"id": "mp-1040425",
"created_at": "2022-09-04T14:43:20.754324Z",
"structure_string": "C2\n1.0\n1.234015 -2.137377 0.000000\n1.234015 2.137377 0.000000\n0.000000 0.000000 19.998293\nC\n2\ndirect\n0.333333 0.666667 0.000000 C\n0.666667 0.333333 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.37811414066880783,
"density_atomic": 0.018958566771636154,
"volume": 105.49320653247867,
"volume_molar": 31.7647469481169,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.43837011,
"energy_per_atom": -9.219185055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.43837011,
"band_gap": 0.0001000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.363000Z",
"spacegroup": 191
},
{
"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-1197903",
"created_at": "2022-09-04T14:41:26.427719Z",
"structure_string": "C80\n1.0\n7.571152 0.000000 0.000000\n-2.374877 8.878328 0.000000\n-2.767805 -4.087424 23.022739\nC\n80\ndirect\n0.274381 0.493366 0.004922 C\n0.433610 0.480803 0.997758 C\n0.577207 0.485377 0.036976 C\n0.667848 0.519697 0.087519 C\n0.675754 0.584601 0.145656 C\n0.813343 0.650531 0.193971 C\n0.886498 0.724528 0.242853 C\n0.879332 0.819001 0.292334 C\n0.884953 0.869249 0.351301 C\n0.723445 0.857703 0.310872 C\n0.538792 0.805627 0.317462 C\n0.413856 0.746132 0.265325 C\n0.341064 0.696732 0.214022 C\n0.336863 0.631831 0.155377 C\n0.198407 0.548866 0.047863 C\n0.216604 0.592234 0.101763 C\n0.504078 0.605999 0.150762 C\n0.678689 0.818491 0.415872 C\n0.842341 0.850957 0.405835 C\n0.507365 0.772036 0.376645 C\n0.781632 0.947230 0.066661 C\n0.623607 0.968814 0.068205 C\n0.568947 0.052347 0.109919 C\n0.607146 0.145433 0.157003 C\n0.755300 0.206653 0.200340 C\n0.855765 0.262770 0.255975 C\n0.872565 0.315270 0.315499 C\n0.996246 0.358799 0.358931 C\n0.157153 0.397756 0.398682 C\n0.276131 0.298128 0.391487 C\n0.393179 0.280762 0.347364 C\n0.345019 0.227003 0.288792 C\n0.247712 0.182235 0.240363 C\n0.094435 0.150746 0.195433 C\n0.955017 0.992179 0.094282 C\n0.061013 0.060913 0.140452 C\n0.946302 0.205486 0.212996 C\n0.311891 0.536496 0.398451 C\n0.348093 0.674705 0.386694 C\n0.437538 0.414595 0.388844 C\n0.952446 0.540163 0.554840 C\n0.796624 0.567066 0.557353 C\n0.741229 0.625144 0.604482 C\n0.760468 0.697424 0.655522 C\n0.871136 0.751544 0.710255 C\n0.853133 0.809223 0.766985 C\n0.900571 0.849154 0.820025 C\n0.012607 0.850906 0.871160 C\n0.143320 0.916182 0.922654 C\n0.180960 0.813579 0.877608 C\n0.359354 0.830514 0.860101 C\n0.356740 0.761753 0.802510 C\n0.313683 0.717858 0.749490 C\n0.200425 0.692196 0.694571 C\n0.120463 0.579511 0.585673 C\n0.202219 0.628884 0.637098 C\n0.038066 0.727226 0.701161 C\n0.416578 0.012548 0.939662 C\n0.273387 0.039597 0.962327 C\n0.493538 0.948677 0.899849 C\n0.613663 0.368920 0.879189 C\n0.753858 0.321342 0.890798 C\n0.845524 0.252540 0.856006 C\n0.873330 0.208326 0.805746 C\n0.786595 0.194654 0.750241 C\n0.727819 0.143135 0.690625 C\n0.717683 0.058826 0.636372 C\n0.669488 0.030414 0.583109 C\n0.558784 0.038657 0.531765 C\n0.396899 0.077168 0.545979 C\n0.308690 0.179980 0.564252 C\n0.302843 0.256890 0.618554 C\n0.370075 0.284729 0.670538 C\n0.483902 0.300663 0.724173 C\n0.461913 0.363338 0.779528 C\n0.507799 0.389751 0.833424 C\n0.633350 0.234089 0.720646 C\n0.438061 0.137058 0.472622 C\n0.592128 0.087382 0.477134 C\n0.317329 0.176704 0.503216 C\n",
"nsites": 80,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0309966710502538,
"density_atomic": 0.051693965200210454,
"volume": 1547.5694249833693,
"volume_molar": 11.64960114140264,
"formula_full": "C80",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -625.45326199,
"energy_per_atom": -7.818165774875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -625.45326199,
"band_gap": 0.0797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.931000Z",
"spacegroup": 1
},
{
"id": "mp-1080826",
"created_at": "2022-09-04T14:41:25.621771Z",
"structure_string": "C8\n1.0\n1.262830 4.592551 0.000000\n-1.262830 4.592551 0.000000\n0.000000 0.508050 4.120255\nC\n8\ndirect\n0.942859 0.942859 0.879236 C\n0.057141 0.057141 0.120764 C\n0.441920 0.441920 0.653641 C\n0.558080 0.558080 0.346359 C\n0.785768 0.785768 0.059270 C\n0.214232 0.214232 0.940730 C\n0.271267 0.271267 0.585602 C\n0.728733 0.728733 0.414398 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3385234784823026,
"density_atomic": 0.1673928940439203,
"volume": 47.79175391938066,
"volume_molar": 3.5976083658724,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -71.42199994,
"energy_per_atom": -8.9277499925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.42199994,
"band_gap": 3.4876000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.757000Z",
"spacegroup": 12
},
{
"id": "mp-169",
"created_at": "2022-09-04T14:42:24.446100Z",
"structure_string": "C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8803468488618567,
"density_atomic": 0.09428021185594328,
"volume": 21.213359204749423,
"volume_molar": 6.387491756172134,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.45088693,
"energy_per_atom": -9.225443465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45088693,
"band_gap": 0.5311999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.163000Z",
"spacegroup": 166
},
{
"id": "mp-1096869",
"created_at": "2022-09-04T14:40:52.309124Z",
"structure_string": "C71\n1.0\n7.424126 12.776585 0.000000\n-7.424126 12.776585 0.000000\n0.000000 0.001516 7.496735\nC\n71\ndirect\n0.056211 0.221304 0.494214 C\n0.222177 0.722579 0.495959 C\n0.721894 0.054660 0.496307 C\n0.221304 0.056211 0.494214 C\n0.722579 0.222177 0.495959 C\n0.054660 0.721894 0.496307 C\n0.000175 0.166014 0.491746 C\n0.165977 0.833476 0.493007 C\n0.832880 0.998966 0.493670 C\n0.166014 0.000175 0.491746 C\n0.833476 0.165977 0.493007 C\n0.998966 0.832880 0.493670 C\n0.500304 0.166967 0.494877 C\n0.167171 0.333420 0.494244 C\n0.334316 0.500787 0.494709 C\n0.166967 0.500304 0.494877 C\n0.333420 0.167171 0.494244 C\n0.500787 0.334316 0.494709 C\n0.056665 0.387981 0.500326 C\n0.389792 0.556625 0.500524 C\n0.555470 0.056137 0.500569 C\n0.387981 0.056665 0.500326 C\n0.556625 0.389792 0.500524 C\n0.056137 0.555470 0.500569 C\n0.001844 0.331747 0.501049 C\n0.333616 0.667519 0.501627 C\n0.666123 0.998800 0.501753 C\n0.331747 0.001844 0.501049 C\n0.667519 0.333616 0.501627 C\n0.998800 0.666123 0.501753 C\n0.891473 0.385980 0.508090 C\n0.388983 0.723780 0.507939 C\n0.721288 0.886614 0.507092 C\n0.385980 0.891473 0.508090 C\n0.723780 0.388983 0.507939 C\n0.886614 0.721288 0.507092 C\n0.836836 0.496854 0.515475 C\n0.501823 0.668902 0.515262 C\n0.664782 0.829818 0.513089 C\n0.496854 0.836836 0.515475 C\n0.668902 0.501823 0.515262 C\n0.829818 0.664782 0.513089 C\n0.889327 0.221223 0.495593 C\n0.221223 0.889327 0.495593 C\n0.887992 0.887992 0.496566 C\n0.834539 0.332201 0.504605 C\n0.332201 0.834539 0.504605 C\n0.831926 0.831926 0.504075 C\n0.729906 0.549782 0.519941 C\n0.549782 0.729906 0.519941 C\n0.719523 0.719523 0.515839 C\n0.666724 0.166342 0.494826 C\n0.166778 0.166778 0.492662 C\n0.166342 0.666724 0.494826 C\n0.556072 0.222699 0.494123 C\n0.222393 0.222393 0.492879 C\n0.222699 0.556072 0.494123 C\n0.389187 0.222811 0.492605 C\n0.222811 0.389187 0.492605 C\n0.389708 0.389708 0.492621 C\n0.333897 0.333897 0.490980 C\n0.000550 0.499492 0.505049 C\n0.501701 0.501701 0.505118 C\n0.499492 0.000550 0.505049 C\n0.891353 0.553430 0.512557 C\n0.557031 0.557031 0.513344 C\n0.553430 0.891353 0.512557 C\n0.054797 0.888548 0.489823 C\n0.888548 0.054797 0.489823 C\n0.055177 0.055177 0.488396 C\n0.999453 0.999453 0.487902 C\n",
"nsites": 71,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.9956655665045799,
"density_atomic": 0.04992247074231997,
"volume": 1422.2052503465602,
"volume_molar": 12.062986207321162,
"formula_full": "C71",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -646.86646431,
"energy_per_atom": -9.110795271971831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -646.86646431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.889947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 8
},
{
"id": "mp-1095633",
"created_at": "2022-09-04T14:40:52.566740Z",
"structure_string": "C12\n1.0\n-3.381973 3.381973 3.283491\n3.381973 -3.381973 3.283491\n3.381973 3.381973 -3.283491\nC\n12\ndirect\n0.878711 0.121289 0.000000 C\n0.121289 0.878711 0.000000 C\n0.121289 0.121289 0.242577 C\n0.878711 0.878711 0.757423 C\n0.969861 0.388287 0.000000 C\n0.388287 0.969861 0.000000 C\n0.388287 0.388287 0.418427 C\n0.969861 0.969861 0.581573 C\n0.030139 0.611713 0.000000 C\n0.611713 0.030139 0.000000 C\n0.611713 0.611713 0.581573 C\n0.030139 0.030139 0.418427 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.5931716482922207,
"density_atomic": 0.07988130520429744,
"volume": 150.22288343073325,
"volume_molar": 7.538861244941228,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -98.75893588,
"energy_per_atom": -8.229911323333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.75893588,
"band_gap": 2.5933,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.767000Z",
"spacegroup": 139
},
{
"id": "mp-937760",
"created_at": "2022-09-04T14:39:20.837641Z",
"structure_string": "C2\n1.0\n0.000000 2.137467 3.990014\n1.234035 0.000000 3.990014\n1.234035 2.137467 0.000000\nC\n2\ndirect\n0.666666 0.333334 0.666666 C\n0.333334 0.666666 0.333334 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.895030051680634,
"density_atomic": 0.09501642468461158,
"volume": 21.0489923888276,
"volume_molar": 6.337999751084422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.44521853,
"energy_per_atom": -9.222609265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44521853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.049000Z",
"spacegroup": 69
},
{
"id": "mp-66",
"created_at": "2022-09-04T14:40:21.558049Z",
"structure_string": "C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4958233725910053,
"density_atomic": 0.175279879017178,
"volume": 11.410322800393955,
"volume_molar": 3.4357285010504888,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.18073633,
"energy_per_atom": -9.090368165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.18073633,
"band_gap": 4.1145,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.938000Z",
"spacegroup": 227
}
]
}