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=12179",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12177",
"results": [
{
"id": "mp-683919",
"created_at": "2022-09-04T14:39:06.465130Z",
"structure_string": "C140\n1.0\n5.054406 -8.706131 0.000000\n5.054406 8.706131 0.000000\n0.000000 0.000000 17.999963\nC\n140\ndirect\n0.179078 0.371354 0.429720 C\n0.515729 0.626542 0.817426 C\n0.026765 0.480960 0.682930 C\n0.955790 0.437490 0.250000 C\n0.628646 0.820922 0.429720 C\n0.122498 0.739809 0.114172 C\n0.044966 0.280940 0.317276 C\n0.436300 0.563700 0.013174 C\n0.052916 0.358829 0.114226 C\n0.877502 0.260191 0.614172 C\n0.375734 0.767171 0.030501 C\n0.515729 0.626542 0.682574 C\n0.820922 0.628646 0.929720 C\n0.498693 0.733315 0.027928 C\n0.947084 0.641171 0.885774 C\n0.016599 0.475851 0.114164 C\n0.309137 0.403488 0.750000 C\n0.690863 0.596512 0.250000 C\n0.232829 0.624266 0.030501 C\n0.947084 0.641171 0.614226 C\n0.498693 0.733315 0.472072 C\n0.626542 0.515729 0.317426 C\n0.006542 0.685536 0.750000 C\n0.833910 0.755301 0.682584 C\n0.373458 0.484271 0.817426 C\n0.513885 0.486115 0.061065 C\n0.388513 0.892108 0.428646 C\n0.699712 0.749480 0.113923 C\n0.596512 0.690863 0.750000 C\n0.973235 0.519040 0.317070 C\n0.611487 0.107892 0.928646 C\n0.973235 0.519040 0.182930 C\n0.767171 0.375734 0.969499 C\n0.501307 0.266685 0.527928 C\n0.699712 0.749480 0.386077 C\n0.388513 0.892108 0.071354 C\n0.761401 0.757791 0.750000 C\n0.877502 0.260191 0.885828 C\n0.626542 0.515729 0.182574 C\n0.360629 0.407552 0.613836 C\n0.232829 0.624266 0.469499 C\n0.486115 0.513885 0.561065 C\n0.358829 0.052916 0.885774 C\n0.086960 0.767791 0.250000 C\n0.016599 0.475851 0.385836 C\n0.833910 0.755301 0.817416 C\n0.501307 0.266685 0.972072 C\n0.592448 0.639371 0.886164 C\n0.955034 0.719060 0.682724 C\n0.407552 0.360629 0.113836 C\n0.375734 0.767171 0.469499 C\n0.232209 0.913040 0.250000 C\n0.563700 0.436300 0.986826 C\n0.407552 0.360629 0.386164 C\n0.052916 0.358829 0.385774 C\n0.682462 0.038255 0.817183 C\n0.436300 0.563700 0.486826 C\n0.563700 0.436300 0.513174 C\n0.044966 0.280940 0.182724 C\n0.767791 0.086960 0.750000 C\n0.624266 0.232829 0.530501 C\n0.122498 0.739809 0.385828 C\n0.628646 0.820922 0.070280 C\n0.280940 0.044966 0.682724 C\n0.519040 0.973235 0.817070 C\n0.682462 0.038255 0.682817 C\n0.179078 0.371354 0.070280 C\n0.371354 0.179078 0.929720 C\n0.260191 0.877502 0.114172 C\n0.639371 0.592448 0.386164 C\n0.733315 0.498693 0.972072 C\n0.484271 0.373458 0.182574 C\n0.892108 0.388513 0.571354 C\n0.685536 0.006542 0.250000 C\n0.993458 0.314464 0.250000 C\n0.038255 0.682462 0.317183 C\n0.719060 0.955034 0.182724 C\n0.983401 0.524149 0.614164 C\n0.317538 0.961745 0.182817 C\n0.524149 0.983401 0.114164 C\n0.480960 0.026765 0.317070 C\n0.250520 0.300288 0.386077 C\n0.913040 0.232209 0.750000 C\n0.300288 0.250520 0.886077 C\n0.475851 0.016599 0.885836 C\n0.437490 0.955790 0.750000 C\n0.733315 0.498693 0.527928 C\n0.892108 0.388513 0.928646 C\n0.373458 0.484271 0.682574 C\n0.107892 0.611487 0.428646 C\n0.166090 0.244699 0.182584 C\n0.371354 0.179078 0.570280 C\n0.757791 0.761401 0.250000 C\n0.641171 0.947084 0.114226 C\n0.562510 0.044210 0.250000 C\n0.280940 0.044966 0.817276 C\n0.486115 0.513885 0.938935 C\n0.266685 0.501307 0.027928 C\n0.107892 0.611487 0.071354 C\n0.961745 0.317538 0.682817 C\n0.624266 0.232829 0.969499 C\n0.513885 0.486115 0.438935 C\n0.749480 0.699712 0.613923 C\n0.767171 0.375734 0.530501 C\n0.360629 0.407552 0.886164 C\n0.739809 0.122498 0.614172 C\n0.611487 0.107892 0.571354 C\n0.749480 0.699712 0.886077 C\n0.266685 0.501307 0.472072 C\n0.519040 0.973235 0.682930 C\n0.244699 0.166090 0.817416 C\n0.044210 0.562510 0.750000 C\n0.641171 0.947084 0.385774 C\n0.238599 0.242209 0.250000 C\n0.166090 0.244699 0.317416 C\n0.244699 0.166090 0.682584 C\n0.755301 0.833910 0.182584 C\n0.475851 0.016599 0.614164 C\n0.250520 0.300288 0.113923 C\n0.755301 0.833910 0.317416 C\n0.480960 0.026765 0.182930 C\n0.524149 0.983401 0.385836 C\n0.317538 0.961745 0.317183 C\n0.983401 0.524149 0.885836 C\n0.403488 0.309137 0.250000 C\n0.300288 0.250520 0.613923 C\n0.820922 0.628646 0.570280 C\n0.719060 0.955034 0.317276 C\n0.038255 0.682462 0.182817 C\n0.242209 0.238599 0.750000 C\n0.314464 0.993458 0.750000 C\n0.955034 0.719060 0.817276 C\n0.961745 0.317538 0.817183 C\n0.358829 0.052916 0.614226 C\n0.592448 0.639371 0.613836 C\n0.026765 0.480960 0.817070 C\n0.739809 0.122498 0.885828 C\n0.484271 0.373458 0.317426 C\n0.639371 0.592448 0.113836 C\n0.260191 0.877502 0.385828 C\n",
"nsites": 140,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7625787211241286,
"density_atomic": 0.08837534167749117,
"volume": 1584.1522911549594,
"volume_molar": 6.814277201865477,
"formula_full": "C140",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1242.95536728,
"energy_per_atom": -8.87825262342857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1242.95536728,
"band_gap": 1.1046999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.965000Z",
"spacegroup": 63
},
{
"id": "mp-1182029",
"created_at": "2022-09-04T14:39:11.947349Z",
"structure_string": "C1\n1.0\n3.338824 0.000000 0.000000\n0.000000 1.282899 0.000000\n0.000000 0.446178 3.401506\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3688636225225894,
"density_atomic": 0.0686345460208257,
"volume": 14.56992226183839,
"volume_molar": 8.774212272304835,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -8.22625635,
"energy_per_atom": -8.22625635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.22625635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.805000Z",
"spacegroup": 10
},
{
"id": "mp-1190217",
"created_at": "2022-09-04T14:39:07.662289Z",
"structure_string": "Mo16\n1.0\n0.000000 -2.630631 0.000000\n0.108516 0.000000 -7.883749\n13.359265 0.000000 2.839927\nMo\n16\ndirect\n0.680222 0.943152 0.581609 Mo\n0.680222 0.056848 0.918391 Mo\n0.319778 0.056848 0.418391 Mo\n0.319778 0.943152 0.081609 Mo\n0.166498 0.825051 0.748431 Mo\n0.166498 0.174949 0.751569 Mo\n0.833502 0.174949 0.251569 Mo\n0.833502 0.825051 0.248431 Mo\n0.938614 0.717554 0.912488 Mo\n0.938614 0.282446 0.587512 Mo\n0.061386 0.282446 0.087512 Mo\n0.061386 0.717554 0.412488 Mo\n0.612436 0.606780 0.084084 Mo\n0.612436 0.393220 0.415916 Mo\n0.387564 0.393220 0.915916 Mo\n0.387564 0.606780 0.584084 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.173278605225205,
"density_atomic": 0.057580545143270156,
"volume": 277.87163112452805,
"volume_molar": 10.458637974016908,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -165.8686524,
"energy_per_atom": -10.366790775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.8686524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.650000Z",
"spacegroup": 13
},
{
"id": "mp-555915",
"created_at": "2022-09-04T14:39:07.452658Z",
"structure_string": "S72\n1.0\n8.261497 0.000000 0.000000\n0.000000 12.498193 0.000000\n0.000000 0.000000 22.766623\nS\n72\ndirect\n0.020789 0.699438 0.766172 S\n0.654858 0.462224 0.757583 S\n0.877310 0.563798 0.605250 S\n0.472174 0.566242 0.732582 S\n0.154858 0.037776 0.242417 S\n0.340293 0.696179 0.260619 S\n0.345142 0.962224 0.742417 S\n0.104685 0.799152 0.106607 S\n0.127473 0.496054 0.156646 S\n0.527826 0.066242 0.767418 S\n0.470982 0.800955 0.434594 S\n0.622690 0.436202 0.105250 S\n0.529018 0.300955 0.065406 S\n0.520789 0.800562 0.233828 S\n0.659707 0.196179 0.239381 S\n0.025450 0.413344 0.087558 S\n0.343256 0.935909 0.597648 S\n0.159894 0.329681 0.905311 S\n0.319553 0.008941 0.942125 S\n0.006912 0.678027 0.911134 S\n0.525450 0.086656 0.912442 S\n0.198860 0.255745 0.559160 S\n0.840106 0.829681 0.594689 S\n0.482297 0.062584 0.567780 S\n0.377310 0.936202 0.394750 S\n0.474550 0.586656 0.587558 S\n0.029018 0.199045 0.934594 S\n0.438603 0.873029 0.673724 S\n0.840293 0.803821 0.739381 S\n0.561397 0.373029 0.826276 S\n0.845142 0.537776 0.257583 S\n0.438135 0.608863 0.329258 S\n0.113952 0.761329 0.843229 S\n0.061865 0.391137 0.829258 S\n0.493088 0.321973 0.411134 S\n0.122690 0.063798 0.894750 S\n0.979211 0.199438 0.733828 S\n0.613952 0.738671 0.156771 S\n0.993088 0.178027 0.588866 S\n0.819553 0.491059 0.057875 S\n0.938603 0.626971 0.326276 S\n0.938135 0.891137 0.670742 S\n0.895315 0.299152 0.393393 S\n0.886048 0.261329 0.656771 S\n0.061397 0.126971 0.173724 S\n0.801140 0.755745 0.940840 S\n0.698860 0.244255 0.440840 S\n0.386048 0.238671 0.343229 S\n0.970982 0.699045 0.565406 S\n0.627473 0.003946 0.843354 S\n0.872527 0.996054 0.343354 S\n0.301140 0.744255 0.059160 S\n0.517703 0.562584 0.932220 S\n0.680447 0.508941 0.557875 S\n0.159707 0.303821 0.760619 S\n0.843256 0.564091 0.402352 S\n0.982297 0.437416 0.432220 S\n0.656744 0.435909 0.902352 S\n0.561865 0.108863 0.170742 S\n0.479211 0.300562 0.266172 S\n0.017703 0.937416 0.067780 S\n0.972174 0.933758 0.267418 S\n0.027826 0.433758 0.232582 S\n0.180447 0.991059 0.442125 S\n0.659894 0.170319 0.094689 S\n0.506912 0.821973 0.088866 S\n0.395315 0.200848 0.606607 S\n0.340106 0.670319 0.405311 S\n0.156744 0.064091 0.097648 S\n0.604685 0.700848 0.893393 S\n0.974550 0.913344 0.412442 S\n0.372527 0.503946 0.656646 S\n",
"nsites": 72,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.630828324773996,
"density_atomic": 0.030628653455724165,
"volume": 2350.7399730804677,
"volume_molar": 19.661787511179426,
"formula_full": "S72",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -296.34232048,
"energy_per_atom": -4.115865562222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.34232048,
"band_gap": 2.491,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.305000Z",
"spacegroup": 19
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
},
{
"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-1187777",
"created_at": "2022-09-04T14:39:19.200835Z",
"structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.528746521824349,
"density_atomic": 0.011598841907831548,
"volume": 344.8620156896178,
"volume_molar": 51.92019003150517,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.12689711,
"energy_per_atom": -0.0317242775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.12689711,
"band_gap": 6.152100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.190000Z",
"spacegroup": 64
},
{
"id": "mp-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
"volume_molar": 24.69929975546862,
"formula_full": "Yb3",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -4.61882484,
"energy_per_atom": -1.5396082800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61882484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"id": "mp-107",
"created_at": "2022-09-04T14:39:07.630165Z",
"structure_string": "Pu1\n1.0\n-1.603259 1.603259 1.603259\n1.603259 -1.603259 1.603259\n1.603259 1.603259 -1.603259\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 24.57920732542739,
"density_atomic": 0.06066370751397509,
"volume": 16.48432054321161,
"volume_molar": 9.927089864417997,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.72209501,
"energy_per_atom": -13.72209501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.72209501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.072000Z",
"spacegroup": 229
},
{
"id": "mp-1182070",
"created_at": "2022-09-04T14:39:16.833835Z",
"structure_string": "Bi4\n1.0\n4.610810 0.000000 0.000000\n0.000000 4.732006 0.000000\n0.000000 0.099239 6.500672\nBi\n4\ndirect\n0.250000 0.840253 0.759398 Bi\n0.250000 0.716008 0.262106 Bi\n0.750000 0.283992 0.737894 Bi\n0.750000 0.159747 0.240602 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.786645972368195,
"density_atomic": 0.028201955606485377,
"volume": 141.83413575334302,
"volume_molar": 21.35362825198951,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.32775581,
"energy_per_atom": -3.8319389525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32775581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.681000Z",
"spacegroup": 11
},
{
"id": "mp-567409",
"created_at": "2022-09-04T14:39:11.650265Z",
"structure_string": "Sb4\n1.0\n4.421100 0.000000 0.000000\n0.000000 4.527700 0.000000\n0.000000 1.320519 6.364348\nSb\n4\ndirect\n0.750000 0.660070 0.683670 Sb\n0.250000 0.063362 0.762758 Sb\n0.750000 0.936638 0.237242 Sb\n0.250000 0.339930 0.316330 Sb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.348217939294897,
"density_atomic": 0.03139771847799148,
"volume": 127.39779174731557,
"volume_molar": 19.180185860387517,
"formula_full": "Sb4",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -16.03242671,
"energy_per_atom": -4.0081066775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.03242671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.287000Z",
"spacegroup": 11
}
]
}