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=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12152",
"results": [
{
"id": "mp-632401",
"created_at": "2022-09-04T14:41:30.482879Z",
"structure_string": "B12\n1.0\n2.897174 0.000000 0.000000\n-1.373887 5.613512 0.000000\n-0.037028 -1.089691 5.811308\nB\n12\ndirect\n0.653101 0.618616 0.590872 B\n0.863345 0.083763 0.011624 B\n0.280632 0.919650 0.978716 B\n0.521003 0.355137 0.386687 B\n0.731627 0.871040 0.186001 B\n0.163622 0.653615 0.754088 B\n0.736596 0.895129 0.740866 B\n0.833822 0.928797 0.470007 B\n0.157262 0.626613 0.047506 B\n0.021988 0.373000 0.162910 B\n0.400849 0.073899 0.446119 B\n0.629097 0.578600 0.240610 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.279360839966697,
"density_atomic": 0.12696912242951544,
"volume": 94.51116752154901,
"volume_molar": 4.742996285055904,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -76.65427275,
"energy_per_atom": -6.3878560625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.65427275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.998000Z",
"spacegroup": 1
},
{
"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-867200",
"created_at": "2022-09-04T14:41:27.638568Z",
"structure_string": "Pm4\n1.0\n1.837611 -3.182835 0.000000\n1.837611 3.182835 0.000000\n0.000000 0.000000 11.825740\nPm\n4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.333333 0.666667 0.250000 Pm\n0.000000 0.000000 0.500000 Pm\n0.666667 0.333333 0.750000 Pm\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.962273214756299,
"density_atomic": 0.028915716774709995,
"volume": 138.33307440258386,
"volume_molar": 20.826531145397823,
"formula_full": "Pm4",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -19.00216929,
"energy_per_atom": -4.7505423225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.00216929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0148421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.719000Z",
"spacegroup": 194
},
{
"id": "mp-989782",
"created_at": "2022-09-04T14:41:30.887865Z",
"structure_string": "Cu2\n1.0\n1.275594 -2.209394 0.000000\n1.275594 2.209394 0.000000\n0.000000 0.000000 4.190019\nCu\n2\ndirect\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.935846204754887,
"density_atomic": 0.08468341622343233,
"volume": 23.617375032711422,
"volume_molar": 7.11135784143489,
"formula_full": "Cu2",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -8.18342969,
"energy_per_atom": -4.091714845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.18342969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.025000Z",
"spacegroup": 194
},
{
"id": "mp-1184755",
"created_at": "2022-09-04T14:41:36.653318Z",
"structure_string": "K2\n1.0\n2.379088 -4.120701 0.000000\n2.379088 4.120701 0.000000\n0.000000 0.000000 7.586569\nK\n2\ndirect\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8729310679898711,
"density_atomic": 0.013445376824641508,
"volume": 148.75001467676051,
"volume_molar": 44.78967632177589,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.19756261,
"energy_per_atom": -1.098781305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.19756261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.041000Z",
"spacegroup": 194
},
{
"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-975204",
"created_at": "2022-09-04T14:40:40.967739Z",
"structure_string": "Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.554570124248827,
"density_atomic": 0.01095364583240984,
"volume": 182.58760878340294,
"volume_molar": 54.97841405627324,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.93738593,
"energy_per_atom": -0.968692965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.93738593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
},
{
"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-568806",
"created_at": "2022-09-04T14:40:55.910820Z",
"structure_string": "C2\n1.0\n1.233596 -2.136651 0.000000\n1.233596 2.136651 0.000000\n0.000000 0.000000 3.830032\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": 1.9756430064485895,
"density_atomic": 0.09905834198218713,
"volume": 20.190121901693487,
"volume_molar": 6.079387802677854,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.43345842,
"energy_per_atom": -9.21672921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.43345842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.643000Z",
"spacegroup": 191
},
{
"id": "mp-1186040",
"created_at": "2022-09-04T14:40:40.846909Z",
"structure_string": "Na8\n1.0\n6.741988 0.000000 0.000000\n0.000000 6.741988 0.000000\n0.000000 0.000000 6.741988\nNa\n8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.250000 0.000000 Na\n0.500000 0.750000 0.000000 Na\n0.000000 0.500000 0.250000 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.750000 Na\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.9965745029834149,
"density_atomic": 0.026105142090695914,
"volume": 306.45303412660854,
"volume_molar": 23.068791347994008,
"formula_full": "Na8",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -10.43700309,
"energy_per_atom": -1.30462538625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.43700309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0577849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.337000Z",
"spacegroup": 223
},
{
"id": "mp-1183542",
"created_at": "2022-09-04T14:40:41.057935Z",
"structure_string": "Cd1\n1.0\n2.639985 -1.643321 0.000000\n2.639985 1.643321 0.000000\n1.617061 0.000000 2.656151\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.099370911607961,
"density_atomic": 0.04339037257386594,
"volume": 23.046587080985354,
"volume_molar": 13.878979143929135,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.90473076,
"energy_per_atom": -0.90473076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.90473076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.623000Z",
"spacegroup": 166
},
{
"id": "mp-101",
"created_at": "2022-09-04T14:40:55.109337Z",
"structure_string": "Ir1\n1.0\n0.000000 1.937864 1.937864\n1.937864 0.000000 1.937864\n1.937864 1.937864 0.000000\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.930120199359056,
"density_atomic": 0.06870686295691784,
"volume": 14.554586790362457,
"volume_molar": 8.764977035519932,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy": -8.83843042,
"energy_per_atom": -8.83843042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83843042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003236,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.648000Z",
"spacegroup": 225
}
]
}