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=nelements&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=48",
"results": [
{
"id": "mp-754514",
"created_at": "2022-09-04T14:39:38.916775Z",
"structure_string": "N2\n1.0\n-1.083636 1.692473 3.886485\n1.083636 -1.692473 3.886485\n1.083636 1.692473 -3.886485\nN\n2\ndirect\n0.605821 0.250000 0.355821 N\n0.394179 0.750000 0.644179 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.6315213420227785,
"density_atomic": 0.07014679530510878,
"volume": 28.511637506757776,
"volume_molar": 8.58505471818954,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -14.59734601,
"energy_per_atom": -7.298673005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.59734601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.763000Z",
"spacegroup": 74
},
{
"id": "mp-1200324",
"created_at": "2022-09-04T14:40:07.096726Z",
"structure_string": "U32\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-22.776070 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.217404 0.500000 U\n0.000000 0.217404 0.000000 U\n0.000000 0.782596 0.500000 U\n0.000000 0.782596 0.000000 U\n0.987099 0.282227 0.750000 U\n0.012901 0.282227 0.250000 U\n0.012901 0.717773 0.250000 U\n0.987099 0.717773 0.750000 U\n0.494864 0.279846 0.561917 U\n0.505136 0.279846 0.438083 U\n0.494864 0.279846 0.938083 U\n0.505136 0.279846 0.061917 U\n0.505136 0.720154 0.438083 U\n0.494864 0.720154 0.561917 U\n0.505136 0.720154 0.061917 U\n0.494864 0.720154 0.938083 U\n0.991281 0.246463 0.624844 U\n0.008719 0.246463 0.375156 U\n0.991281 0.246463 0.875156 U\n0.008719 0.246463 0.124844 U\n0.008719 0.753537 0.375156 U\n0.991281 0.753537 0.624844 U\n0.008719 0.753537 0.124844 U\n0.991281 0.753537 0.875156 U\n0.486917 0.220607 0.688169 U\n0.513083 0.220607 0.311831 U\n0.486917 0.220607 0.811831 U\n0.513083 0.220607 0.188169 U\n0.513083 0.779393 0.311831 U\n0.486917 0.779393 0.688169 U\n0.513083 0.779393 0.188169 U\n0.486917 0.779393 0.811831 U\n",
"nsites": 32,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.913791596815603,
"density_atomic": 0.04785196694833861,
"volume": 668.7290416828105,
"volume_molar": 12.584938810355599,
"formula_full": "U32",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -349.77910613,
"energy_per_atom": -10.9305970665625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.77910613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0826361,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.710000Z",
"spacegroup": 51
},
{
"id": "mp-1244924",
"created_at": "2022-09-04T14:40:24.563500Z",
"structure_string": "Ti100\n1.0\n12.496547 0.176865 0.229462\n0.178231 11.451386 -0.313200\n0.227478 -0.313039 12.333400\nTi\n100\ndirect\n0.990819 0.965536 0.728590 Ti\n0.587882 0.920057 0.186346 Ti\n0.408179 0.615656 0.315916 Ti\n0.266242 0.504174 0.423424 Ti\n0.526289 0.218008 0.641031 Ti\n0.603768 0.708353 0.318821 Ti\n0.286355 0.772749 0.813308 Ti\n0.165387 0.464789 0.752142 Ti\n0.940532 0.612235 0.928228 Ti\n0.799496 0.820940 0.226583 Ti\n0.023305 0.993018 0.088635 Ti\n0.881532 0.497811 0.506231 Ti\n0.073847 0.858724 0.520301 Ti\n0.621233 0.466967 0.427491 Ti\n0.274224 0.782783 0.498023 Ti\n0.588983 0.238799 0.409860 Ti\n0.893882 0.057917 0.258839 Ti\n0.255488 0.180096 0.924747 Ti\n0.420182 0.785173 0.974156 Ti\n0.884266 0.256837 0.415207 Ti\n0.717045 0.346252 0.241856 Ti\n0.628640 0.602104 0.914190 Ti\n0.592002 0.988611 0.727728 Ti\n0.219794 0.076266 0.143019 Ti\n0.019133 0.141555 0.938120 Ti\n0.687491 0.581536 0.646415 Ti\n0.564714 0.205306 0.163687 Ti\n0.752610 0.879409 0.414177 Ti\n0.436290 0.483667 0.966642 Ti\n0.283052 0.605170 0.634707 Ti\n0.170602 0.627847 0.927161 Ti\n0.890226 0.736131 0.548080 Ti\n0.707335 0.405821 0.015321 Ti\n0.201902 0.406109 0.986895 Ti\n0.447557 0.581336 0.767091 Ti\n0.081853 0.282211 0.146311 Ti\n0.441912 0.368968 0.327756 Ti\n0.762251 0.630096 0.398045 Ti\n0.436054 0.805374 0.652113 Ti\n0.443652 0.076055 0.291662 Ti\n0.540220 0.467297 0.164858 Ti\n0.253836 0.244030 0.313722 Ti\n0.693316 0.078337 0.295339 Ti\n0.767881 0.586939 0.169259 Ti\n0.420521 0.040395 0.056813 Ti\n0.556975 0.694362 0.107913 Ti\n0.797292 0.938983 0.634108 Ti\n0.376162 0.833414 0.209970 Ti\n0.476543 0.190114 0.878645 Ti\n0.484272 0.628268 0.522863 Ti\n0.966465 0.580124 0.710632 Ti\n0.814978 0.007442 0.864523 Ti\n0.428684 0.411097 0.570282 Ti\n0.186135 0.964344 0.920244 Ti\n0.791480 0.992584 0.076837 Ti\n0.764137 0.761990 0.007398 Ti\n0.076982 0.130512 0.325540 Ti\n0.083154 0.403128 0.367715 Ti\n0.848234 0.256070 0.860837 Ti\n0.454099 0.855933 0.411436 Ti\n0.137586 0.114731 0.541531 Ti\n0.589346 0.768217 0.786607 Ti\n0.085287 0.593712 0.524839 Ti\n0.816149 0.758894 0.782277 Ti\n0.207166 0.957117 0.696008 Ti\n0.857175 0.218422 0.094031 Ti\n0.196642 0.349070 0.554040 Ti\n0.193880 0.824972 0.088824 Ti\n0.254466 0.982066 0.365170 Ti\n0.373211 0.276077 0.086457 Ti\n0.799839 0.485202 0.801653 Ti\n0.400746 0.969150 0.831772 Ti\n0.736532 0.348654 0.610540 Ti\n0.699208 0.174614 0.746288 Ti\n0.319876 0.628636 0.106945 Ti\n0.643249 0.785109 0.560863 Ti\n0.199645 0.692764 0.297689 Ti\n0.015834 0.382119 0.880507 Ti\n0.970899 0.757355 0.111717 Ti\n0.393951 0.003851 0.591344 Ti\n0.098658 0.748727 0.717707 Ti\n0.062158 0.882604 0.287517 Ti\n0.605228 0.933371 0.955141 Ti\n0.932003 0.006214 0.459433 Ti\n0.913535 0.427042 0.273314 Ti\n0.308181 0.182064 0.689220 Ti\n0.362191 0.367188 0.793314 Ti\n0.089438 0.557374 0.137699 Ti\n0.960453 0.668787 0.333665 Ti\n0.986418 0.364022 0.647170 Ti\n0.670092 0.164675 0.971640 Ti\n0.579399 0.017863 0.497471 Ti\n0.592563 0.386778 0.813158 Ti\n0.997263 0.834738 0.909288 Ti\n0.258579 0.438760 0.204831 Ti\n0.921055 0.438462 0.064843 Ti\n0.916250 0.159496 0.639777 Ti\n0.747160 0.125571 0.514501 Ti\n0.369490 0.189639 0.477871 Ti\n0.112739 0.209485 0.753275 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.509259640004821,
"density_atomic": 0.05673093422374556,
"volume": 1762.7067378372828,
"volume_molar": 10.615268093856535,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -771.22051535,
"energy_per_atom": -7.7122051535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -771.22051535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9910987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.477000Z",
"spacegroup": 1
},
{
"id": "mp-37",
"created_at": "2022-09-04T14:40:33.894069Z",
"structure_string": "Th1\n1.0\n0.000000 2.520609 2.520609\n2.520609 0.000000 2.520609\n2.520609 2.520609 0.000000\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 12.029896193298868,
"density_atomic": 0.03122148505692111,
"volume": 32.02922596977245,
"volume_molar": 19.288450722381718,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.41385825,
"energy_per_atom": -7.41385825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41385825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.348000Z",
"spacegroup": 225
},
{
"id": "mp-10024",
"created_at": "2022-09-04T14:40:53.930711Z",
"structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.643456071208345,
"density_atomic": 0.037149297105028206,
"volume": 26.918409712377805,
"volume_molar": 16.21064523232903,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.70483875,
"energy_per_atom": -5.70483875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70483875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2594113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.149000Z",
"spacegroup": 229
},
{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1468500914916668,
"density_atomic": 0.08773854811668441,
"volume": 22.794997671265076,
"volume_molar": 6.8637342300115245,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.77839157,
"energy_per_atom": -3.389195785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.77839157,
"band_gap": 8.5338,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.080000Z",
"spacegroup": 139
},
{
"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-1077457",
"created_at": "2022-09-04T14:41:47.536514Z",
"structure_string": "Eu6\n1.0\n4.076402 -5.920378 0.000000\n4.076402 5.920378 0.000000\n-4.522080 0.000000 5.587371\nEu\n6\ndirect\n0.436809 0.063191 0.250000 Eu\n0.250000 0.436809 0.063191 Eu\n0.063191 0.250000 0.436809 Eu\n0.750000 0.563191 0.936809 Eu\n0.936809 0.750000 0.563191 Eu\n0.563191 0.936809 0.750000 Eu\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.614060871532905,
"density_atomic": 0.02224781186021886,
"volume": 269.6894435146026,
"volume_molar": 27.068463172183435,
"formula_full": "Eu6",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -61.0149301,
"energy_per_atom": -10.169155016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.0149301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.9234401,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.649000Z",
"spacegroup": 167
},
{
"id": "mp-1203790",
"created_at": "2022-09-04T14:42:01.516254Z",
"structure_string": "Si68\n1.0\n5.205704 -9.016543 0.000000\n5.205704 9.016543 0.000000\n0.000000 0.000000 17.056181\nSi\n68\ndirect\n0.049839 0.719417 0.435444 Si\n0.280583 0.330423 0.435444 Si\n0.669577 0.950161 0.435444 Si\n0.280583 0.950161 0.435444 Si\n0.669577 0.719417 0.435444 Si\n0.049839 0.330423 0.435444 Si\n0.950161 0.280583 0.564556 Si\n0.719417 0.669577 0.564556 Si\n0.330423 0.049839 0.564556 Si\n0.719417 0.049839 0.564556 Si\n0.330423 0.280583 0.564556 Si\n0.950161 0.669577 0.564556 Si\n0.950161 0.280583 0.935444 Si\n0.719417 0.669577 0.935444 Si\n0.330423 0.049839 0.935444 Si\n0.719417 0.049839 0.935444 Si\n0.330423 0.280583 0.935444 Si\n0.950161 0.669577 0.935444 Si\n0.049839 0.719417 0.064556 Si\n0.280583 0.330423 0.064556 Si\n0.669577 0.950161 0.064556 Si\n0.280583 0.950161 0.064556 Si\n0.669577 0.719417 0.064556 Si\n0.049839 0.330423 0.064556 Si\n0.084253 0.542126 0.135221 Si\n0.457874 0.542126 0.135221 Si\n0.457874 0.915747 0.135221 Si\n0.915747 0.457874 0.864779 Si\n0.542126 0.457874 0.864779 Si\n0.542126 0.084253 0.864779 Si\n0.915747 0.457874 0.635221 Si\n0.542126 0.457874 0.635221 Si\n0.542126 0.084253 0.635221 Si\n0.084253 0.542126 0.364779 Si\n0.457874 0.542126 0.364779 Si\n0.457874 0.915747 0.364779 Si\n0.123462 0.246924 0.638715 Si\n0.753076 0.876538 0.638715 Si\n0.123462 0.876538 0.638715 Si\n0.876538 0.753076 0.361285 Si\n0.246924 0.123462 0.361285 Si\n0.876538 0.123462 0.361285 Si\n0.876538 0.753076 0.138715 Si\n0.246924 0.123462 0.138715 Si\n0.876538 0.123462 0.138715 Si\n0.123462 0.246924 0.861285 Si\n0.753076 0.876538 0.861285 Si\n0.123462 0.876538 0.861285 Si\n0.333333 0.666667 0.180422 Si\n0.666667 0.333333 0.819578 Si\n0.666667 0.333333 0.680422 Si\n0.333333 0.666667 0.319578 Si\n0.000000 0.000000 0.181701 Si\n0.000000 0.000000 0.818299 Si\n0.000000 0.000000 0.681701 Si\n0.000000 0.000000 0.318299 Si\n0.069276 0.534638 0.750000 Si\n0.465362 0.534638 0.750000 Si\n0.465362 0.930724 0.750000 Si\n0.930724 0.465362 0.250000 Si\n0.534638 0.465362 0.250000 Si\n0.534638 0.069276 0.250000 Si\n0.202200 0.404399 0.750000 Si\n0.595601 0.797800 0.750000 Si\n0.202200 0.797800 0.750000 Si\n0.797800 0.595601 0.250000 Si\n0.404399 0.202200 0.250000 Si\n0.797800 0.202200 0.250000 Si\n",
"nsites": 68,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.9806550699661676,
"density_atomic": 0.042469543474269275,
"volume": 1601.1474208852442,
"volume_molar": 14.179904626591036,
"formula_full": "Si68",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -364.95975866,
"energy_per_atom": -5.367055274411764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.95975866,
"band_gap": 1.36,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0699445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.790000Z",
"spacegroup": 194
},
{
"id": "mp-1187769",
"created_at": "2022-09-04T14:42:17.607817Z",
"structure_string": "Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7706304386431087,
"density_atomic": 0.012708313848579412,
"volume": 236.06593571304916,
"volume_molar": 47.387409783503095,
"formula_full": "Xe3",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.1020993,
"energy_per_atom": -0.034033100000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.1020993,
"band_gap": 6.2294,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0023449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.185000Z",
"spacegroup": 166
},
{
"id": "mp-640416",
"created_at": "2022-09-04T14:42:43.700715Z",
"structure_string": "Rb8\n1.0\n9.369484 0.000000 0.000000\n-0.337446 9.441180 0.000000\n-4.231228 -4.217970 8.556800\nRb\n8\ndirect\n0.212811 0.615707 0.771238 Rb\n0.175624 0.017892 0.210735 Rb\n0.392237 0.100566 0.722560 Rb\n0.700065 0.224497 0.250802 Rb\n0.717570 0.730962 0.274134 Rb\n0.212472 0.547255 0.279284 Rb\n0.913153 0.153820 0.767250 Rb\n0.699346 0.630266 0.748735 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.499989699184075,
"density_atomic": 0.010569067075738724,
"volume": 756.9258424297436,
"volume_molar": 56.978924599918706,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.39045015,
"energy_per_atom": -0.92380626875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.39045015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0140471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.872000Z",
"spacegroup": 1
},
{
"id": "mp-1056079",
"created_at": "2022-09-04T14:42:54.420688Z",
"structure_string": "Cu1\n1.0\n2.289597 0.000000 0.000000\n0.000000 11.842895 0.000000\n0.000000 4.704599 22.255763\nCu\n1\ndirect\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 0.17485493810818842,
"density_atomic": 0.0016570689740227449,
"volume": 603.4751815866622,
"volume_molar": 363.42124886814395,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -2.11627218,
"energy_per_atom": -2.11627218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.11627218,
"band_gap": 1.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0404744,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.816000Z",
"spacegroup": 10
}
]
}