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=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12188",
"results": [
{
"id": "mp-1205417",
"created_at": "2022-09-04T14:42:02.835197Z",
"structure_string": "C20\n1.0\n-5.866125 5.866125 3.395937\n5.866125 -5.866125 3.395937\n5.866125 5.866125 -3.395937\nC\n20\ndirect\n0.176967 0.176967 0.353935 C\n0.823033 0.823033 0.646065 C\n0.823033 0.176967 0.000000 C\n0.176967 0.823033 0.000000 C\n0.051530 0.193492 0.245022 C\n0.948470 0.806508 0.754978 C\n0.948470 0.193492 0.141963 C\n0.051530 0.806508 0.858037 C\n0.806508 0.051530 0.858037 C\n0.193492 0.948470 0.141963 C\n0.193492 0.051530 0.245022 C\n0.806508 0.948470 0.754978 C\n0.050764 0.050764 0.457340 C\n0.593424 0.593424 0.542660 C\n0.593424 0.050764 0.000000 C\n0.050764 0.593424 0.000000 C\n0.949236 0.949236 0.542660 C\n0.406576 0.406576 0.457340 C\n0.406576 0.949236 0.000000 C\n0.949236 0.406576 0.000000 C\n",
"nsites": 20,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.8533460260430631,
"density_atomic": 0.0427865976803506,
"volume": 467.4360917737761,
"volume_molar": 14.07482970482979,
"formula_full": "C20",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -161.20052821,
"energy_per_atom": -8.060026410499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.20052821,
"band_gap": 4.1977,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.085000Z",
"spacegroup": 139
},
{
"id": "mp-1056831",
"created_at": "2022-09-04T14:42:05.634261Z",
"structure_string": "O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.227103760216571,
"density_atomic": 0.046187929382997074,
"volume": 21.65067829102824,
"volume_molar": 13.03834322180483,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.63686277,
"energy_per_atom": -3.63686277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63686277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.778000Z",
"spacegroup": 10
},
{
"id": "mp-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.779283164252495,
"density_atomic": 0.06241617740851449,
"volume": 1602.1487401495133,
"volume_molar": 9.648365231637033,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -121.08917173,
"energy_per_atom": -1.2108917173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.08917173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.300000Z",
"spacegroup": 1
},
{
"id": "mp-604325",
"created_at": "2022-09-04T14:41:17.501526Z",
"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8442583443643122,
"density_atomic": 0.013003743357955325,
"volume": 153.8018665045751,
"volume_molar": 46.31082446206402,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07371566,
"energy_per_atom": -1.03685783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07371566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-680372",
"created_at": "2022-09-04T14:41:17.125517Z",
"structure_string": "C60\n1.0\n8.650536 -4.602332 0.000000\n8.650536 4.602332 0.000000\n6.201965 0.000000 7.586097\nC\n60\ndirect\n0.027412 0.874754 0.716891 C\n0.249245 0.249245 0.572032 C\n0.716891 0.027412 0.874754 C\n0.916965 0.471829 0.645118 C\n0.027412 0.716891 0.874754 C\n0.083035 0.528171 0.354882 C\n0.572032 0.249245 0.249245 C\n0.645118 0.916965 0.471829 C\n0.631259 0.888942 0.196324 C\n0.249245 0.572032 0.249245 C\n0.888942 0.196324 0.631259 C\n0.945185 0.791196 0.455044 C\n0.736983 0.736983 0.305958 C\n0.736983 0.305958 0.736983 C\n0.471829 0.645118 0.916965 C\n0.528171 0.083035 0.354882 C\n0.283109 0.972588 0.125246 C\n0.054815 0.544956 0.208804 C\n0.054815 0.208804 0.544956 C\n0.125246 0.972588 0.283109 C\n0.083035 0.354882 0.528171 C\n0.455044 0.945185 0.791196 C\n0.945185 0.455044 0.791196 C\n0.305958 0.736983 0.736983 C\n0.916965 0.645118 0.471829 C\n0.972588 0.125246 0.283109 C\n0.196324 0.631259 0.888942 C\n0.125246 0.283109 0.972588 C\n0.631259 0.196324 0.888942 C\n0.263017 0.694042 0.263017 C\n0.427968 0.750755 0.750755 C\n0.874754 0.027412 0.716891 C\n0.471829 0.916965 0.645118 C\n0.354882 0.528171 0.083035 C\n0.208804 0.054815 0.544956 C\n0.750755 0.427968 0.750755 C\n0.750755 0.750755 0.427968 C\n0.791196 0.455044 0.945185 C\n0.716891 0.874754 0.027412 C\n0.694042 0.263017 0.263017 C\n0.544956 0.054815 0.208804 C\n0.791196 0.945185 0.455044 C\n0.528171 0.354882 0.083035 C\n0.263017 0.263017 0.694042 C\n0.645118 0.471829 0.916965 C\n0.111058 0.803676 0.368741 C\n0.354882 0.083035 0.528171 C\n0.196324 0.888942 0.631259 C\n0.972588 0.283109 0.125246 C\n0.544956 0.208804 0.054815 C\n0.803676 0.111058 0.368741 C\n0.888942 0.631259 0.196324 C\n0.111058 0.368741 0.803676 C\n0.283109 0.125246 0.972588 C\n0.368741 0.803676 0.111058 C\n0.455044 0.791196 0.945185 C\n0.874754 0.716891 0.027412 C\n0.208804 0.544956 0.054815 C\n0.368741 0.111058 0.803676 C\n0.803676 0.368741 0.111058 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.9810677035606912,
"density_atomic": 0.09933033520157261,
"volume": 604.0450772489698,
"volume_molar": 6.06274080096395,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -529.17093066,
"energy_per_atom": -8.819515510999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -529.17093066,
"band_gap": 0.7132000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002577,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.689000Z",
"spacegroup": 166
},
{
"id": "mp-571249",
"created_at": "2022-09-04T14:41:17.143612Z",
"structure_string": "Tb6\n1.0\n1.788050 -3.096993 0.000000\n1.788050 3.096993 0.000000\n0.000000 0.000000 17.367122\nTb\n6\ndirect\n0.666667 0.333333 0.916738 Tb\n0.000000 0.000000 0.250000 Tb\n0.666667 0.333333 0.583262 Tb\n0.333333 0.666667 0.416738 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.083262 Tb\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.232197685297638,
"density_atomic": 0.03119417590846317,
"volume": 192.3435970101125,
"volume_molar": 19.30533692466021,
"formula_full": "Tb6",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -27.724118149999995,
"energy_per_atom": -4.620686358333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.724118149999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7229571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.503000Z",
"spacegroup": 194
},
{
"id": "mp-80",
"created_at": "2022-09-04T14:41:13.284675Z",
"structure_string": "Sb2\n1.0\n1.697055 -2.939385 0.000000\n1.697055 2.939385 0.000000\n0.000000 0.000000 5.494676\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.376651339480906,
"density_atomic": 0.03648425814647526,
"volume": 54.81816272570201,
"volume_molar": 16.506134606938136,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -7.67733684,
"energy_per_atom": -3.83866842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67733684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.07e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.119000Z",
"spacegroup": 194
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-989695",
"created_at": "2022-09-04T14:46:56.119189Z",
"structure_string": "Cu4\n1.0\n1.278814 -2.214971 0.000000\n1.278814 2.214971 0.000000\n0.000000 0.000000 8.343082\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.250000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.930286104733547,
"density_atomic": 0.08463072415000558,
"volume": 47.26415897032988,
"volume_molar": 7.11578545555858,
"formula_full": "Cu4",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -16.37376234,
"energy_per_atom": -4.093440585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.37376234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.828000Z",
"spacegroup": 194
},
{
"id": "mp-82",
"created_at": "2022-09-04T14:46:56.513360Z",
"structure_string": "Tl2\n1.0\n1.774462 -3.073459 0.000000\n1.774462 3.073459 0.000000\n0.000000 0.000000 5.738414\nTl\n2\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.844474197016705,
"density_atomic": 0.031953173329323514,
"volume": 62.591592371346565,
"volume_molar": 18.84676898263956,
"formula_full": "Tl2",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -4.71752371,
"energy_per_atom": -2.358761855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.71752371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016658,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.560000Z",
"spacegroup": 194
},
{
"id": "mp-1055985",
"created_at": "2022-09-04T14:47:04.643061Z",
"structure_string": "B1\n1.0\n0.855644 -1.482019 0.000000\n0.855644 1.482019 0.000000\n0.000000 0.000000 3.735796\nB\n1\ndirect\n0.000000 0.000000 0.000000 B\n",
"nsites": 1,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.8947631751498324,
"density_atomic": 0.10554556055462086,
"volume": 9.474581353731976,
"volume_molar": 5.705726255424531,
"formula_full": "B1",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -5.97208379,
"energy_per_atom": -5.97208379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.97208379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.086000Z",
"spacegroup": 191
},
{
"id": "mp-1096861",
"created_at": "2022-09-04T14:47:04.860892Z",
"structure_string": "Cd1\n1.0\n0.000000 2.265485 2.265485\n2.265485 0.000000 2.265485\n2.265485 2.265485 0.000000\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.026835080186322,
"density_atomic": 0.04300177983194949,
"volume": 23.25485140168592,
"volume_molar": 14.004398849383591,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.92288976,
"energy_per_atom": -0.92288976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.92288976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.791000Z",
"spacegroup": 225
}
]
}