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=78",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=76",
"results": [
{
"id": "mp-8377",
"created_at": "2022-09-04T14:45:53.800990Z",
"structure_string": "Te4 O8\n1.0\n4.471247 0.000000 0.000000\n0.000000 5.108853 0.000000\n0.000000 0.000000 8.798003\nTe O\n4 8\ndirect\n0.382080 0.041330 0.603283 Te\n0.882080 0.458670 0.396717 Te\n0.617920 0.541330 0.896717 Te\n0.117920 0.958670 0.103283 Te\n0.780550 0.141443 0.539887 O\n0.280550 0.358557 0.460113 O\n0.219450 0.641443 0.960113 O\n0.719450 0.858557 0.039887 O\n0.161921 0.759022 0.281621 O\n0.661921 0.740978 0.718379 O\n0.838079 0.259022 0.218379 O\n0.338079 0.240978 0.781621 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 5.274757961042293,
"density_atomic": 0.05970972512444588,
"volume": 200.97228675881234,
"volume_molar": 10.0856949976721,
"formula_full": "Te4 O8",
"formula_reduced": "TeO2",
"formula_anonymous": "AB2",
"energy": -69.95739112999999,
"energy_per_atom": -5.829782594166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.46139113,
"band_gap": 3.0604,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.250000Z",
"spacegroup": 19
},
{
"id": "mp-982048",
"created_at": "2022-09-04T14:45:42.518458Z",
"structure_string": "Ge2 O3\n1.0\n3.774147 0.000000 0.000000\n0.000000 3.774147 0.000000\n0.000000 0.000000 3.774147\nGe O\n2 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 5.970016550312758,
"density_atomic": 0.09300655743363039,
"volume": 53.759650265176276,
"volume_molar": 6.474963622105258,
"formula_full": "Ge2 O3",
"formula_reduced": "Ge2O3",
"formula_anonymous": "A2B3",
"energy": -31.52442358,
"energy_per_atom": -6.304884716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.46342358,
"band_gap": 0.6820000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.709000Z",
"spacegroup": 221
},
{
"id": "mp-974843",
"created_at": "2022-09-04T14:45:42.509802Z",
"structure_string": "Rb3 Os1\n1.0\n0.000000 4.355590 4.355590\n4.355590 0.000000 4.355590\n4.355590 4.355590 0.000000\nRb Os\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Os"
],
"chemical_system": "Os-Rb",
"density": 4.487756895673666,
"density_atomic": 0.024204104513228998,
"volume": 165.26122657476378,
"volume_molar": 24.880659215087007,
"formula_full": "Rb3 Os1",
"formula_reduced": "Rb3Os",
"formula_anonymous": "AB3",
"energy": -8.53428514,
"energy_per_atom": -2.133571285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.53428514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2719576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.891000Z",
"spacegroup": 225
},
{
"id": "mp-1277428",
"created_at": "2022-09-04T14:45:30.506372Z",
"structure_string": "V6 O12\n1.0\n1.204102 -2.242044 4.326258\n8.058349 -2.146799 -3.766583\n1.257214 4.833810 0.067476\nV O\n6 12\ndirect\n0.997836 0.000162 0.003530 V\n0.496424 0.500081 0.502382 V\n0.554787 0.739212 0.930339 V\n0.438658 0.261452 0.075648 V\n0.930412 0.760629 0.579330 V\n0.062755 0.239245 0.426634 V\n0.310698 0.117061 0.291740 O\n0.798707 0.615935 0.801313 O\n0.192699 0.383869 0.204291 O\n0.683959 0.883073 0.715675 O\n0.087079 0.144610 0.748447 O\n0.576455 0.641729 0.259399 O\n0.770034 0.136527 0.104364 O\n0.262402 0.639888 0.619047 O\n0.416899 0.358316 0.746740 O\n0.907483 0.855279 0.258611 O\n0.731337 0.359608 0.388187 O\n0.223881 0.863325 0.901818 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.8654418232000545,
"density_atomic": 0.08419876019358341,
"volume": 213.77986990088408,
"volume_molar": 7.152291489986729,
"formula_full": "V6 O12",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -157.44183443999998,
"energy_per_atom": -8.74676858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.99783444,
"band_gap": 1.0119000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9981961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.865000Z",
"spacegroup": 2
},
{
"id": "mp-1215714",
"created_at": "2022-09-04T14:45:31.093781Z",
"structure_string": "Zn16 Pd8\n1.0\n3.738833 -3.795792 0.000000\n3.738833 3.795792 0.000000\n0.000000 0.000000 12.325293\nZn Pd\n16 8\ndirect\n0.721727 0.278273 0.992234 Zn\n0.278273 0.721727 0.992234 Zn\n0.500000 0.000000 0.833259 Zn\n0.000000 0.500000 0.166797 Zn\n0.500000 0.000000 0.166797 Zn\n0.000000 0.500000 0.833259 Zn\n0.000000 0.000000 0.833371 Zn\n0.000000 0.000000 0.171013 Zn\n0.721953 0.721953 0.335154 Zn\n0.278047 0.278047 0.335154 Zn\n0.281910 0.281910 0.670173 Zn\n0.718090 0.718090 0.670173 Zn\n0.000000 0.000000 0.497265 Zn\n0.500000 0.000000 0.500102 Zn\n0.000000 0.500000 0.500102 Zn\n0.500000 0.500000 0.163270 Zn\n0.786655 0.213345 0.661648 Pd\n0.213345 0.786655 0.661648 Pd\n0.776320 0.223680 0.333722 Pd\n0.223680 0.776320 0.333722 Pd\n0.500000 0.500000 0.502823 Pd\n0.500000 0.500000 0.831074 Pd\n0.780518 0.780518 0.007502 Pd\n0.219482 0.219482 0.007502 Pd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zn",
"Pd"
],
"chemical_system": "Pd-Zn",
"density": 9.008606502965733,
"density_atomic": 0.06860338111650624,
"volume": 349.8369848454234,
"volume_molar": 8.778198190804693,
"formula_full": "Zn16 Pd8",
"formula_reduced": "Zn2Pd",
"formula_anonymous": "AB2",
"energy": -72.09583799,
"energy_per_atom": -3.0039932495833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.09583799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.551000Z",
"spacegroup": 35
},
{
"id": "mp-919",
"created_at": "2022-09-04T14:45:36.516714Z",
"structure_string": "Ho1 Te1\n1.0\n0.000000 3.065548 3.065548\n3.065548 0.000000 3.065548\n3.065548 3.065548 0.000000\nHo Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Te"
],
"chemical_system": "Ho-Te",
"density": 8.430738641367533,
"density_atomic": 0.034711680366419355,
"volume": 57.6174929847197,
"volume_molar": 17.34903264961473,
"formula_full": "Ho1 Te1",
"formula_reduced": "HoTe",
"formula_anonymous": "AB",
"energy": -10.62961865,
"energy_per_atom": -5.314809325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.20761865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006226,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.159000Z",
"spacegroup": 225
},
{
"id": "mp-1245082",
"created_at": "2022-09-04T14:45:36.517396Z",
"structure_string": "Zn50 S50\n1.0\n13.359083 0.089887 -0.229538\n0.092171 13.974025 -1.188842\n-0.203894 -1.128437 12.999354\nZn S\n50 50\ndirect\n0.424873 0.707680 0.850905 Zn\n0.199783 0.082155 0.740201 Zn\n0.508225 0.447251 0.884043 Zn\n0.279962 0.198165 0.535978 Zn\n0.070076 0.975469 0.117025 Zn\n0.805134 0.490191 0.530760 Zn\n0.081634 0.199725 0.835308 Zn\n0.576028 0.807938 0.834462 Zn\n0.925850 0.401803 0.889484 Zn\n0.249820 0.285222 0.825749 Zn\n0.656949 0.143784 0.078146 Zn\n0.900158 0.863338 0.090495 Zn\n0.345422 0.706646 0.545524 Zn\n0.196261 0.930998 0.457738 Zn\n0.936815 0.772947 0.582310 Zn\n0.721597 0.164023 0.841977 Zn\n0.481285 0.290650 0.502384 Zn\n0.861340 0.110454 0.270070 Zn\n0.532934 0.879206 0.056920 Zn\n0.084549 0.314146 0.711101 Zn\n0.370232 0.875807 0.647901 Zn\n0.502203 0.873933 0.362494 Zn\n0.919927 0.223479 0.698567 Zn\n0.730530 0.906945 0.681701 Zn\n0.390627 0.093165 0.325183 Zn\n0.412423 0.906088 0.908074 Zn\n0.135342 0.888364 0.961713 Zn\n0.534450 0.615317 0.716784 Zn\n0.545365 0.091896 0.557232 Zn\n0.806588 0.932247 0.957889 Zn\n0.600765 0.495128 0.146173 Zn\n0.010847 0.618785 0.822104 Zn\n0.496529 0.107875 0.789490 Zn\n0.919978 0.169183 0.059917 Zn\n0.299788 0.957588 0.235349 Zn\n0.023493 0.031951 0.823507 Zn\n0.815251 0.376199 0.287786 Zn\n0.741887 0.429178 0.702077 Zn\n0.234802 0.486755 0.601086 Zn\n0.730855 0.554905 0.954189 Zn\n0.131210 0.627886 0.516969 Zn\n0.760422 0.313190 0.531924 Zn\n0.224802 0.497861 0.976704 Zn\n0.744210 0.768763 0.470637 Zn\n0.094425 0.363797 0.122591 Zn\n0.565343 0.615446 0.364415 Zn\n0.118208 0.492633 0.261155 Zn\n0.414456 0.667735 0.144718 Zn\n0.131370 0.755375 0.316343 Zn\n0.254158 0.758145 0.722064 Zn\n0.527122 0.690984 0.571283 S\n0.017429 0.123093 0.191733 S\n0.432614 0.834021 0.183828 S\n0.973223 0.602420 0.134860 S\n0.238406 0.644010 0.094150 S\n0.347686 0.249124 0.391613 S\n0.782567 0.230382 0.174593 S\n0.485738 0.619805 0.979036 S\n0.461914 0.541981 0.232863 S\n0.963354 0.774899 0.768477 S\n0.642602 0.056762 0.697321 S\n0.816185 0.158332 0.553072 S\n0.617416 0.340885 0.414079 S\n0.280527 0.792248 0.910035 S\n0.153797 0.616952 0.698075 S\n0.835057 0.901621 0.548002 S\n0.138732 0.905752 0.276412 S\n0.940236 0.416421 0.418763 S\n0.547530 0.834678 0.639731 S\n0.771622 0.964998 0.232745 S\n0.794222 0.302449 0.804410 S\n0.740358 0.827033 0.820574 S\n0.863308 0.070990 0.903090 S\n0.854695 0.506232 0.108622 S\n0.645975 0.422545 0.988932 S\n0.172239 0.076430 0.563854 S\n0.546061 0.037071 0.388030 S\n0.006695 0.546033 0.390178 S\n0.562625 0.457034 0.717903 S\n0.634516 0.491294 0.457568 S\n0.576652 0.189600 0.941588 S\n0.843709 0.537638 0.823990 S\n0.631563 0.757604 0.339289 S\n0.290225 0.557568 0.467469 S\n0.088198 0.783087 0.490136 S\n0.006030 0.283209 0.984636 S\n0.760763 0.523090 0.239531 S\n0.175579 0.338150 0.578992 S\n0.899406 0.201242 0.434324 S\n0.958336 0.700857 0.035635 S\n0.223713 0.622136 0.249681 S\n0.357097 0.009600 0.787941 S\n0.352984 0.849551 0.459156 S\n0.680539 0.982357 0.102718 S\n0.814835 0.654455 0.559766 S\n0.439350 0.209804 0.644887 S\n0.084192 0.471043 0.865081 S\n0.082172 0.871145 0.778705 S\n0.352630 0.390480 0.930450 S\n0.621111 0.692113 0.990843 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.360750690787165,
"density_atomic": 0.04152679427576929,
"volume": 2408.0837864807104,
"volume_molar": 14.501819524060622,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -328.78809677,
"energy_per_atom": -3.2878809676999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.63809677,
"band_gap": 0.8844000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.471000Z",
"spacegroup": 1
},
{
"id": "mp-10032",
"created_at": "2022-09-04T14:45:36.836918Z",
"structure_string": "Ge4 Os2\n1.0\n1.566278 4.551457 0.000000\n-1.566278 4.551457 0.000000\n0.000000 3.796089 6.779816\nGe Os\n4 2\ndirect\n0.143853 0.143853 0.467844 Ge\n0.856147 0.856147 0.532156 Ge\n0.399238 0.399238 0.888532 Ge\n0.600762 0.600762 0.111468 Ge\n0.845810 0.845810 0.200958 Os\n0.154190 0.154190 0.799042 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ge",
"Os"
],
"chemical_system": "Ge-Os",
"density": 11.527028501555485,
"density_atomic": 0.06207033012865921,
"volume": 96.66454145745989,
"volume_molar": 9.702124585961315,
"formula_full": "Ge4 Os2",
"formula_reduced": "Ge2Os",
"formula_anonymous": "AB2",
"energy": -41.44708353,
"energy_per_atom": -6.907847255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.44708353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.269000Z",
"spacegroup": 12
},
{
"id": "mp-1342078",
"created_at": "2022-09-04T14:45:53.873025Z",
"structure_string": "La8 Te16\n1.0\n9.148241 0.000000 0.000000\n0.000000 9.148241 0.000000\n0.000000 0.000000 9.264585\nLa Te\n8 16\ndirect\n0.256845 0.756845 0.273654 La\n0.000000 0.500000 0.727187 La\n0.000000 0.000000 0.726171 La\n0.500000 0.000000 0.727187 La\n0.243155 0.256845 0.273654 La\n0.743155 0.243155 0.273654 La\n0.500000 0.500000 0.726171 La\n0.756845 0.743155 0.273654 La\n0.514213 0.751945 0.000300 Te\n0.248055 0.514213 0.000300 Te\n0.749829 0.750171 0.633787 Te\n0.500000 0.500000 0.366463 Te\n0.750171 0.250171 0.633787 Te\n0.748055 0.985787 0.000300 Te\n0.500000 0.000000 0.366822 Te\n0.000000 0.500000 0.366822 Te\n0.251945 0.014213 0.000300 Te\n0.751945 0.485787 0.000300 Te\n0.000000 0.000000 0.366463 Te\n0.014213 0.748055 0.000300 Te\n0.985787 0.251945 0.000300 Te\n0.485787 0.248055 0.000300 Te\n0.250171 0.249829 0.633787 Te\n0.249829 0.749829 0.633787 Te\n",
"nsites": 24,
"nelements": 2,
"elements": [
"La",
"Te"
],
"chemical_system": "La-Te",
"density": 6.752279062820099,
"density_atomic": 0.030953522401875707,
"volume": 775.356022116102,
"volume_molar": 19.455429601236833,
"formula_full": "La8 Te16",
"formula_reduced": "LaTe2",
"formula_anonymous": "AB2",
"energy": -130.15460654,
"energy_per_atom": -5.423108605833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.40260654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0576786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.092000Z",
"spacegroup": 100
},
{
"id": "mp-1104486",
"created_at": "2022-09-04T14:45:36.832656Z",
"structure_string": "Tm6 Ge8\n1.0\n2.009217 -5.293797 0.000000\n2.009217 5.293797 0.000000\n0.000000 0.000000 14.199316\nTm Ge\n6 8\ndirect\n0.668187 0.331813 0.402838 Tm\n0.331813 0.668187 0.597162 Tm\n0.668187 0.331813 0.097162 Tm\n0.331813 0.668187 0.902838 Tm\n0.951644 0.048356 0.250000 Tm\n0.048356 0.951644 0.750000 Tm\n0.620942 0.379058 0.608403 Ge\n0.379058 0.620942 0.391597 Ge\n0.620942 0.379058 0.891597 Ge\n0.379058 0.620942 0.108403 Ge\n0.222386 0.777614 0.250000 Ge\n0.777614 0.222386 0.750000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tm",
"Ge"
],
"chemical_system": "Ge-Tm",
"density": 8.766846919493341,
"density_atomic": 0.04634858587762549,
"volume": 302.0588381480355,
"volume_molar": 12.993148865210909,
"formula_full": "Tm6 Ge8",
"formula_reduced": "Tm3Ge4",
"formula_anonymous": "A3B4",
"energy": -74.39309112,
"energy_per_atom": -5.313792222857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.39309112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.761000Z",
"spacegroup": 63
},
{
"id": "mp-756655",
"created_at": "2022-09-04T14:45:36.576600Z",
"structure_string": "Ti8 O16\n1.0\n2.988604 0.000000 0.000000\n0.000000 9.002011 0.000000\n0.000000 0.000000 10.777908\nTi O\n8 16\ndirect\n0.750000 0.449904 0.381708 Ti\n0.750000 0.949904 0.118292 Ti\n0.250000 0.550096 0.618292 Ti\n0.250000 0.050096 0.881708 Ti\n0.750000 0.409628 0.899319 Ti\n0.250000 0.090372 0.399319 Ti\n0.750000 0.909628 0.600681 Ti\n0.250000 0.590372 0.100681 Ti\n0.750000 0.612507 0.988137 O\n0.250000 0.073864 0.072238 O\n0.750000 0.701401 0.639954 O\n0.250000 0.798599 0.139954 O\n0.250000 0.387493 0.011863 O\n0.250000 0.971048 0.716552 O\n0.250000 0.298599 0.360046 O\n0.750000 0.426136 0.572238 O\n0.750000 0.112507 0.511863 O\n0.750000 0.028952 0.283448 O\n0.250000 0.471048 0.783448 O\n0.250000 0.887493 0.488137 O\n0.750000 0.528952 0.216552 O\n0.750000 0.926136 0.927762 O\n0.250000 0.573864 0.427762 O\n0.750000 0.201401 0.860046 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.6589590237222946,
"density_atomic": 0.08276921892803646,
"volume": 289.9628667616974,
"volume_molar": 7.275821661716947,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy": -224.59543322,
"energy_per_atom": -9.358143050833332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.60343322,
"band_gap": 2.4317,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.013000Z",
"spacegroup": 62
},
{
"id": "mp-1208743",
"created_at": "2022-09-04T14:45:53.791698Z",
"structure_string": "Sr8 Rh2\n1.0\n0.000000 6.166602 6.166602\n6.166602 0.000000 6.166602\n6.166602 6.166602 0.000000\nSr Rh\n8 2\ndirect\n0.378671 0.378671 0.378671 Sr\n0.378671 0.378671 0.863987 Sr\n0.378671 0.863987 0.378671 Sr\n0.871329 0.871329 0.386013 Sr\n0.871329 0.871329 0.871329 Sr\n0.863987 0.378671 0.378671 Sr\n0.871329 0.386013 0.871329 Sr\n0.386013 0.871329 0.871329 Sr\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Rh"
],
"chemical_system": "Rh-Sr",
"density": 3.2105465097675796,
"density_atomic": 0.021322211456948473,
"volume": 468.9945046362067,
"volume_molar": 28.243509225857096,
"formula_full": "Sr8 Rh2",
"formula_reduced": "Sr4Rh",
"formula_anonymous": "AB4",
"energy": -27.45577798,
"energy_per_atom": -2.7455777980000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.45577798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.654000Z",
"spacegroup": 227
}
]
}