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=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12185",
"results": [
{
"id": "mp-542605",
"created_at": "2022-09-04T14:43:39.231842Z",
"structure_string": "Se32\n1.0\n8.485871 0.000000 0.000000\n0.000000 10.236324 0.000000\n0.000000 1.233740 13.584402\nSe\n32\ndirect\n0.679579 0.423879 0.414650 Se\n0.179579 0.576121 0.085350 Se\n0.320421 0.576121 0.585350 Se\n0.820421 0.423879 0.914650 Se\n0.765988 0.246549 0.524163 Se\n0.265988 0.753451 0.975837 Se\n0.234012 0.753451 0.475837 Se\n0.734012 0.246549 0.024163 Se\n0.597692 0.232610 0.663459 Se\n0.097692 0.767390 0.836541 Se\n0.402308 0.767390 0.336541 Se\n0.902308 0.232610 0.163459 Se\n0.414730 0.062786 0.644914 Se\n0.914730 0.937214 0.855086 Se\n0.585270 0.937214 0.355086 Se\n0.085270 0.062786 0.144914 Se\n0.176500 0.161333 0.586701 Se\n0.676500 0.838667 0.913299 Se\n0.823500 0.838667 0.413299 Se\n0.323500 0.161333 0.086701 Se\n0.166787 0.153000 0.413532 Se\n0.666787 0.847000 0.086468 Se\n0.833213 0.847000 0.586468 Se\n0.333213 0.153000 0.913532 Se\n0.252735 0.358504 0.340060 Se\n0.752735 0.641496 0.159940 Se\n0.747265 0.641496 0.659940 Se\n0.247265 0.358504 0.840060 Se\n0.520220 0.336863 0.294357 Se\n0.020220 0.663137 0.205643 Se\n0.479780 0.663137 0.705643 Se\n0.979780 0.336863 0.794357 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 3.555701060101928,
"density_atomic": 0.027118708576259986,
"volume": 1179.9971930821644,
"volume_molar": 22.206591228580287,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -111.68586991,
"energy_per_atom": -3.4901834346875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.68586991,
"band_gap": 1.3902,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.232000Z",
"spacegroup": 14
},
{
"id": "mp-667273",
"created_at": "2022-09-04T14:43:49.709357Z",
"structure_string": "C60\n1.0\n0.000000 7.011748 7.011748\n7.011748 0.000000 7.011748\n7.011748 7.011748 0.000000\nC\n60\ndirect\n0.426958 0.202157 0.901457 C\n0.098543 0.530572 0.573042 C\n0.901618 0.265831 0.301438 C\n0.202157 0.901457 0.426958 C\n0.573042 0.530572 0.797843 C\n0.734169 0.098382 0.468887 C\n0.901457 0.426958 0.202157 C\n0.698562 0.098382 0.734169 C\n0.699002 0.200941 0.799059 C\n0.468887 0.098382 0.698562 C\n0.797843 0.530572 0.098543 C\n0.531113 0.901618 0.301438 C\n0.799059 0.200941 0.300998 C\n0.530572 0.573042 0.098543 C\n0.469428 0.202157 0.426958 C\n0.098543 0.573042 0.797843 C\n0.468887 0.734169 0.098382 C\n0.426958 0.901457 0.469428 C\n0.573042 0.098543 0.530572 C\n0.530572 0.098543 0.797843 C\n0.301438 0.265831 0.531113 C\n0.098543 0.797843 0.530572 C\n0.200941 0.799059 0.699002 C\n0.098382 0.468887 0.734169 C\n0.265831 0.901618 0.531113 C\n0.202157 0.469428 0.901457 C\n0.901457 0.469428 0.426958 C\n0.300998 0.799059 0.200941 C\n0.301438 0.901618 0.265831 C\n0.530572 0.797843 0.573042 C\n0.265831 0.531113 0.301438 C\n0.301438 0.531113 0.901618 C\n0.098382 0.698562 0.468887 C\n0.200941 0.699002 0.300998 C\n0.468887 0.698562 0.734169 C\n0.573042 0.797843 0.098543 C\n0.300998 0.200941 0.699002 C\n0.531113 0.265831 0.901618 C\n0.734169 0.468887 0.698562 C\n0.265831 0.301438 0.901618 C\n0.202157 0.426958 0.469428 C\n0.901618 0.301438 0.531113 C\n0.799059 0.300998 0.699002 C\n0.698562 0.468887 0.098382 C\n0.300998 0.699002 0.799059 C\n0.734169 0.698562 0.098382 C\n0.901457 0.202157 0.469428 C\n0.469428 0.426958 0.901457 C\n0.698562 0.734169 0.468887 C\n0.699002 0.300998 0.200941 C\n0.799059 0.699002 0.200941 C\n0.797843 0.573042 0.530572 C\n0.797843 0.098543 0.573042 C\n0.531113 0.301438 0.265831 C\n0.901618 0.531113 0.265831 C\n0.426958 0.469428 0.202157 C\n0.098382 0.734169 0.698562 C\n0.699002 0.799059 0.300998 C\n0.469428 0.901457 0.202157 C\n0.200941 0.300998 0.799059 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.735640492677213,
"density_atomic": 0.08702466433488479,
"volume": 689.4597118939802,
"volume_molar": 6.920039055624326,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -530.27934925,
"energy_per_atom": -8.837989154166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -530.27934925,
"band_gap": 1.0093,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.488000Z",
"spacegroup": 202
},
{
"id": "mp-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.46197547512238424,
"density_atomic": 0.0695068193094468,
"volume": 28.774155109816345,
"volume_molar": 8.664100616069366,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.01417751,
"energy_per_atom": -0.007088755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.01417751,
"band_gap": 17.7675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"id": "mp-568087",
"created_at": "2022-09-04T14:43:55.399579Z",
"structure_string": "Bi4\n1.0\n-4.449748 4.449748 2.065632\n4.449748 -4.449748 2.065632\n4.449748 4.449748 -2.065632\nBi\n4\ndirect\n0.354344 0.854344 0.208689 Bi\n0.645656 0.145656 0.791311 Bi\n0.854344 0.645656 0.500000 Bi\n0.145656 0.354344 0.500000 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 8.484590133194276,
"density_atomic": 0.024449850842787436,
"volume": 163.60018004690514,
"volume_molar": 24.630582815095156,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -14.68937008,
"energy_per_atom": -3.67234252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.68937008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.798000Z",
"spacegroup": 140
},
{
"id": "mp-1187875",
"created_at": "2022-09-04T14:43:41.792068Z",
"structure_string": "Yb4\n1.0\n1.922981 -3.330702 0.000000\n1.922981 3.330702 0.000000\n0.000000 0.000000 12.617207\nYb\n4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.250000 Yb\n0.000000 0.000000 0.500000 Yb\n0.666667 0.333333 0.750000 Yb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.111342572684615,
"density_atomic": 0.024748905443878214,
"volume": 161.6233093245513,
"volume_molar": 24.332957971236713,
"formula_full": "Yb4",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -6.09746621,
"energy_per_atom": -1.5243665525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.09746621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.060000Z",
"spacegroup": 194
},
{
"id": "mp-1120774",
"created_at": "2022-09-04T14:43:38.981899Z",
"structure_string": "Cu6\n1.0\n-1.270300 -2.200224 0.000000\n-1.270300 2.200224 0.000000\n0.000000 0.000000 -24.743942\nCu\n6\ndirect\n0.666666 0.333334 0.917500 Cu\n0.000000 0.000000 0.001891 Cu\n0.333334 0.666666 0.833621 Cu\n0.666666 0.333334 0.665834 Cu\n0.000000 0.000000 0.749712 Cu\n0.333334 0.666666 0.581442 Cu\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 4.577374921390166,
"density_atomic": 0.04337896342402604,
"volume": 138.31589153826613,
"volume_molar": 13.882629469805526,
"formula_full": "Cu6",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -23.64053925,
"energy_per_atom": -3.940089875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.64053925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.404000Z",
"spacegroup": 164
},
{
"id": "mp-1244971",
"created_at": "2022-09-04T14:43:24.229705Z",
"structure_string": "Si100\n1.0\n11.612723 0.894010 1.033789\n0.797737 13.367272 -0.860489\n1.035306 -0.943403 12.596537\nSi\n100\ndirect\n0.896174 0.567279 0.240389 Si\n0.042727 0.517790 0.598924 Si\n0.370473 0.875167 0.563775 Si\n0.622126 0.452665 0.215703 Si\n0.415472 0.844047 0.123012 Si\n0.391354 0.186559 0.729428 Si\n0.861098 0.658758 0.859170 Si\n0.618161 0.016160 0.245526 Si\n0.633378 0.924571 0.385799 Si\n0.490634 0.564762 0.969985 Si\n0.713911 0.353448 0.891898 Si\n0.366679 0.402946 0.462089 Si\n0.833290 0.910272 0.391149 Si\n0.643164 0.744058 0.675995 Si\n0.636826 0.188643 0.310920 Si\n0.383949 0.131056 0.511531 Si\n0.178189 0.579562 0.394232 Si\n0.427649 0.357923 0.772473 Si\n0.497685 0.261563 0.475346 Si\n0.415112 0.766083 0.280060 Si\n0.965046 0.043898 0.372876 Si\n0.892306 0.120594 0.944717 Si\n0.925000 0.372727 0.649297 Si\n0.043011 0.893692 0.572745 Si\n0.312768 0.067723 0.349899 Si\n0.054923 0.711547 0.848966 Si\n0.896807 0.242639 0.827932 Si\n0.329230 0.116503 0.887564 Si\n0.507037 0.991707 0.551681 Si\n0.730729 0.650195 0.020640 Si\n0.848890 0.788925 0.655921 Si\n0.858537 0.507106 0.541766 Si\n0.763134 0.842658 0.896230 Si\n0.402010 0.542843 0.808246 Si\n0.083537 0.749543 0.236253 Si\n0.607217 0.757714 0.327094 Si\n0.718361 0.421134 0.724395 Si\n0.445763 0.015148 0.175541 Si\n0.276146 0.845515 0.740173 Si\n0.778131 0.701847 0.190157 Si\n0.413829 0.332134 0.088712 Si\n0.177933 0.987030 0.653506 Si\n0.631109 0.053927 0.668294 Si\n0.262811 0.904133 0.030323 Si\n0.071706 0.313641 0.331294 Si\n0.173467 0.076681 0.096754 Si\n0.209627 0.161047 0.655190 Si\n0.051108 0.496535 0.100881 Si\n0.178839 0.426537 0.791272 Si\n0.974397 0.482546 0.794998 Si\n0.199499 0.588704 0.890199 Si\n0.050003 0.214132 0.569496 Si\n0.542126 0.117935 0.853527 Si\n0.865526 0.354934 0.408259 Si\n0.297042 0.902579 0.400542 Si\n0.965148 0.410822 0.964966 Si\n0.528710 0.296023 0.906734 Si\n0.504383 0.619527 0.670888 Si\n0.095095 0.855482 0.957506 Si\n0.112462 0.122034 0.934057 Si\n0.661300 0.493278 0.031856 Si\n0.838212 0.171421 0.139867 Si\n0.746523 0.594501 0.718623 Si\n0.887264 0.151236 0.657432 Si\n0.875189 0.968126 0.832908 Si\n0.686939 0.183522 0.030471 Si\n0.574547 0.049105 0.014134 Si\n0.987824 0.066623 0.192931 Si\n0.478035 0.520178 0.379957 Si\n0.900622 0.825300 0.210595 Si\n0.103316 0.886434 0.380399 Si\n0.054750 0.745845 0.669275 Si\n0.356593 0.518680 0.107831 Si\n0.219708 0.639061 0.565834 Si\n0.272428 0.219312 0.065552 Si\n0.844109 0.977897 0.655930 Si\n0.803417 0.428755 0.266007 Si\n0.571326 0.837838 0.850979 Si\n0.412889 0.687903 0.537752 Si\n0.852072 0.758993 0.469703 Si\n0.618227 0.518877 0.507195 Si\n0.547262 0.730271 0.986024 Si\n0.930738 0.934929 0.085739 Si\n0.097035 0.332338 0.144961 Si\n0.095187 0.272543 0.843718 Si\n0.290100 0.492990 0.641178 Si\n0.733072 0.948601 0.069973 Si\n0.377305 0.933780 0.866982 Si\n0.707873 0.192179 0.598451 Si\n0.113917 0.153308 0.382399 Si\n0.671370 0.687721 0.477192 Si\n0.798207 0.189048 0.415987 Si\n0.180735 0.612650 0.083605 Si\n0.572789 0.291290 0.182013 Si\n0.350399 0.605489 0.282922 Si\n0.907025 0.321156 0.110006 Si\n0.170563 0.416711 0.438307 Si\n0.583002 0.346761 0.621298 Si\n0.002388 0.647954 0.355820 Si\n0.083342 0.967942 0.830215 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.427656346899759,
"density_atomic": 0.052054221014366804,
"volume": 1921.073796732071,
"volume_molar": 11.568976814268161,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -510.85665124,
"energy_per_atom": -5.1085665124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -510.85665124,
"band_gap": 0.0033000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.518000Z",
"spacegroup": 1
},
{
"id": "mp-75",
"created_at": "2022-09-04T14:42:03.416655Z",
"structure_string": "Nb1\n1.0\n-1.660260 1.660260 1.660260\n1.660260 -1.660260 1.660260\n1.660260 1.660260 -1.660260\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.427646883754438,
"density_atomic": 0.054627546382803364,
"volume": 18.305782818662305,
"volume_molar": 11.024000085597397,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -10.10130504,
"energy_per_atom": -10.10130504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10130504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.150000Z",
"spacegroup": 229
},
{
"id": "mp-76",
"created_at": "2022-09-04T14:41:59.589468Z",
"structure_string": "Sr1\n1.0\n0.000000 3.011265 3.011265\n3.011265 0.000000 3.011265\n3.011265 3.011265 0.000000\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.664252742875994,
"density_atomic": 0.018311464327048572,
"volume": 54.61059706311206,
"volume_molar": 32.887270250170346,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.68309255,
"energy_per_atom": -1.68309255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.68309255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.655000Z",
"spacegroup": 225
},
{
"id": "mp-972981",
"created_at": "2022-09-04T14:42:04.406659Z",
"structure_string": "K2\n1.0\n2.387715 -4.017190 0.000000\n2.387715 4.017190 0.000000\n0.000000 0.000000 7.650362\nK\n2\ndirect\n0.820386 0.179614 0.250000 K\n0.179614 0.820386 0.750000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8847490924390605,
"density_atomic": 0.013627404705042282,
"volume": 146.7630882980953,
"volume_molar": 44.19139880517194,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.20404441,
"energy_per_atom": -1.102022205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.20404441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.695000Z",
"spacegroup": 63
},
{
"id": "mp-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"spacegroup": 225
},
{
"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
}
]
}