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=12192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12190",
"results": [
{
"id": "mp-1983234",
"created_at": "2022-09-04T14:39:14.970650Z",
"structure_string": "U16\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-11.380962 0.000000 0.000000\nU\n16\ndirect\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.000000 U\n0.000000 0.281920 0.500000 U\n0.000000 0.718080 0.500000 U\n0.500000 0.283089 0.122605 U\n0.500000 0.283089 0.877395 U\n0.500000 0.716911 0.877395 U\n0.500000 0.716911 0.122605 U\n0.000000 0.222753 0.248627 U\n0.000000 0.222753 0.751373 U\n0.000000 0.777247 0.751373 U\n0.000000 0.777247 0.248627 U\n0.500000 0.223072 0.376107 U\n0.500000 0.223072 0.623893 U\n0.500000 0.776928 0.623893 U\n0.500000 0.776928 0.376107 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 338.05664467666554,
"volume_molar": 12.723904369351153,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -174.9898787,
"energy_per_atom": -10.93686741875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0739257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.421000Z",
"spacegroup": 47
},
{
"id": "mp-63",
"created_at": "2022-09-04T14:39:15.625470Z",
"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4325906061659195,
"density_atomic": 0.027491740934698652,
"volume": 36.374560722629674,
"volume_molar": 21.90527247548432,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.64528909,
"energy_per_atom": -4.64528909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64528909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5812416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.023000Z",
"spacegroup": 229
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"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-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-1179613",
"created_at": "2022-09-04T14:39:09.870925Z",
"structure_string": "Sb14\n1.0\n6.609819 0.000000 0.000000\n2.634222 7.451368 0.000000\n1.359766 3.325983 9.803007\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.334535 0.080101 0.771984 Sb\n0.665465 0.919899 0.228016 Sb\n0.976796 0.885690 0.741324 Sb\n0.023204 0.114310 0.258676 Sb\n0.326688 0.754161 0.220238 Sb\n0.673312 0.245839 0.779762 Sb\n0.116340 0.488481 0.696872 Sb\n0.883660 0.511519 0.303128 Sb\n0.661050 0.668317 0.767946 Sb\n0.338950 0.331683 0.232054 Sb\n",
"nsites": 14,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.862689319284094,
"density_atomic": 0.028996337323487498,
"volume": 482.81960041414527,
"volume_molar": 20.76862568129241,
"formula_full": "Sb14",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -53.13991099,
"energy_per_atom": -3.795707927857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.13991099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.966000Z",
"spacegroup": 2
},
{
"id": "mp-567332",
"created_at": "2022-09-04T14:48:16.425589Z",
"structure_string": "Ce2\n1.0\n1.662110 2.885654 0.000000\n-1.662110 2.885654 0.000000\n0.000000 1.927672 5.439661\nCe\n2\ndirect\n0.744639 0.744639 0.249505 Ce\n0.255361 0.255361 0.750495 Ce\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.917866649861772,
"density_atomic": 0.03832870497511805,
"volume": 52.18021327092438,
"volume_molar": 15.711829460216334,
"formula_full": "Ce2",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -11.86617831,
"energy_per_atom": -5.933089155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.86617831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:08.209000Z",
"spacegroup": 12
},
{
"id": "mp-1190171",
"created_at": "2022-09-04T14:48:28.630528Z",
"structure_string": "C16\n1.0\n2.526018 0.000000 0.000000\n0.000000 4.159595 0.000000\n0.000000 0.000000 9.072088\nC\n16\ndirect\n0.750000 0.423520 0.695227 C\n0.750000 0.076480 0.195227 C\n0.250000 0.576480 0.304773 C\n0.250000 0.923520 0.804773 C\n0.250000 0.198409 0.689480 C\n0.250000 0.301591 0.189480 C\n0.750000 0.801591 0.310520 C\n0.750000 0.698409 0.810520 C\n0.250000 0.408205 0.020556 C\n0.250000 0.091795 0.520556 C\n0.750000 0.591795 0.979444 C\n0.750000 0.908205 0.479444 C\n0.250000 0.068374 0.963167 C\n0.250000 0.431626 0.463167 C\n0.750000 0.931626 0.036833 C\n0.750000 0.568374 0.536833 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3476701266416686,
"density_atomic": 0.16785150513833555,
"volume": 95.3223504717073,
"volume_molar": 3.5877788257167107,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -142.97592617,
"energy_per_atom": -8.935995385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.97592617,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.210000Z",
"spacegroup": 62
},
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.91378993596806,
"density_atomic": 0.04785196274638782,
"volume": 167.18227510122128,
"volume_molar": 12.584939915457474,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -87.45485768,
"energy_per_atom": -10.93185721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45485768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.350000Z",
"spacegroup": 65
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
},
{
"id": "mp-611448",
"created_at": "2022-09-04T14:48:21.597021Z",
"structure_string": "C12\n1.0\n1.261126 -2.184334 0.000000\n1.261126 2.184334 0.000000\n0.000000 0.000000 12.433927\nC\n12\ndirect\n0.666667 0.333333 0.354860 C\n0.333333 0.666667 0.854860 C\n0.666667 0.333333 0.020765 C\n0.333333 0.666667 0.645140 C\n0.333333 0.666667 0.979235 C\n0.000000 0.000000 0.686902 C\n0.666667 0.333333 0.479235 C\n0.333333 0.666667 0.520765 C\n0.000000 0.000000 0.313098 C\n0.666667 0.333333 0.145140 C\n0.000000 0.000000 0.813098 C\n0.000000 0.000000 0.186902 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.493677627431383,
"density_atomic": 0.17517229178753446,
"volume": 68.50398472011051,
"volume_molar": 3.437838655044956,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -109.01007592000002,
"energy_per_atom": -9.084172993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.01007592000002,
"band_gap": 4.399799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.626000Z",
"spacegroup": 194
},
{
"id": "mp-1094120",
"created_at": "2022-09-04T14:48:26.115343Z",
"structure_string": "Nb12\n1.0\n5.374343 0.000000 0.000000\n-1.516425 6.770262 0.000000\n-2.292508 -2.725628 6.234305\nNb\n12\ndirect\n0.069490 0.140393 0.503316 Nb\n0.509667 0.212573 0.340606 Nb\n0.072719 0.731441 0.133756 Nb\n0.046112 0.405816 0.262338 Nb\n0.024193 0.983918 0.882255 Nb\n0.596368 0.925967 0.050041 Nb\n0.683872 0.720414 0.393695 Nb\n0.054694 0.564241 0.697763 Nb\n0.553340 0.563811 0.699148 Nb\n0.428080 0.395001 0.998307 Nb\n0.771339 0.251176 0.789395 Nb\n0.336504 0.880067 0.604147 Nb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.161255619756384,
"density_atomic": 0.052900812772490494,
"volume": 226.83961495276392,
"volume_molar": 11.383834093247875,
"formula_full": "Nb12",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -118.93868106,
"energy_per_atom": -9.911556755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.93868106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.583000Z",
"spacegroup": 1
}
]
}