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=11568",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11566",
"results": [
{
"id": "mp-29994",
"created_at": "2022-09-04T14:41:51.655553Z",
"structure_string": "La24 C16 Br24\n1.0\n5.838830 -8.671537 0.000000\n5.838830 8.671537 0.000000\n0.000000 0.000000 17.306371\nLa C Br\n24 16 24\ndirect\n0.165146 0.834854 0.250000 La\n0.834854 0.165146 0.750000 La\n0.983970 0.449448 0.603683 La\n0.016030 0.550552 0.103683 La\n0.449448 0.983970 0.396317 La\n0.550552 0.016030 0.896317 La\n0.225008 0.252434 0.395227 La\n0.774992 0.747566 0.895227 La\n0.252434 0.225008 0.604773 La\n0.747566 0.774992 0.104773 La\n0.608757 0.322316 0.517109 La\n0.391243 0.677684 0.017109 La\n0.322316 0.608757 0.482891 La\n0.677684 0.391243 0.982891 La\n0.884435 0.141119 0.497402 La\n0.115565 0.858881 0.997402 La\n0.141119 0.884435 0.502598 La\n0.858881 0.115565 0.002598 La\n0.375257 0.624743 0.250000 La\n0.624743 0.375257 0.750000 La\n0.987647 0.479936 0.875649 La\n0.012353 0.520064 0.375649 La\n0.479936 0.987647 0.124351 La\n0.520064 0.012353 0.624351 La\n0.859583 0.663149 0.023836 C\n0.140417 0.336851 0.523836 C\n0.663149 0.859583 0.976164 C\n0.336851 0.140417 0.476164 C\n0.913400 0.599715 0.968250 C\n0.086600 0.400285 0.468250 C\n0.599715 0.913400 0.031750 C\n0.400285 0.086600 0.531750 C\n0.713019 0.273088 0.650255 C\n0.286981 0.726912 0.150255 C\n0.273088 0.713019 0.349745 C\n0.726912 0.286981 0.849745 C\n0.783913 0.226339 0.905136 C\n0.216087 0.773660 0.405136 C\n0.226340 0.783913 0.094864 C\n0.773660 0.216087 0.594864 C\n0.244525 0.731689 0.629289 Br\n0.755475 0.268311 0.129289 Br\n0.731689 0.244525 0.370711 Br\n0.268311 0.755475 0.870711 Br\n0.857387 0.616665 0.502892 Br\n0.142613 0.383335 0.002892 Br\n0.616665 0.857387 0.497108 Br\n0.383335 0.142613 0.997108 Br\n0.134563 0.369287 0.740754 Br\n0.865437 0.630713 0.240754 Br\n0.369287 0.134563 0.259246 Br\n0.630713 0.865437 0.759246 Br\n0.505744 0.494276 0.383928 Br\n0.494256 0.505724 0.883928 Br\n0.494276 0.505744 0.616072 Br\n0.505724 0.494256 0.116072 Br\n0.897638 0.632311 0.742358 Br\n0.102362 0.367689 0.242358 Br\n0.632311 0.897638 0.257642 Br\n0.367689 0.102362 0.757642 Br\n0.024686 0.013530 0.131030 Br\n0.975314 0.986470 0.631030 Br\n0.013530 0.024686 0.868970 Br\n0.986470 0.975314 0.368970 Br\n",
"nsites": 64,
"nelements": 3,
"elements": [
"La",
"C",
"Br"
],
"chemical_system": "Br-C-La",
"density": 5.157951618433015,
"density_atomic": 0.03651926738309503,
"volume": 1752.4995594414897,
"volume_molar": 16.490310982491625,
"formula_full": "La24 C16 Br24",
"formula_reduced": "La3C2Br3",
"formula_anonymous": "A2B3C3",
"energy": -401.22355313,
"energy_per_atom": -6.26911801765625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.40755313,
"band_gap": 0.0369000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4346676,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.541000Z",
"spacegroup": 20
},
{
"id": "mp-1105799",
"created_at": "2022-09-04T14:41:46.464401Z",
"structure_string": "Zr6 Fe4 Si6\n1.0\n1.931058 -5.046305 0.000000\n1.931058 5.046305 0.000000\n0.000000 0.000000 12.977245\nZr Fe Si\n6 4 6\ndirect\n0.923374 0.076626 0.386273 Zr\n0.076626 0.923374 0.613727 Zr\n0.923374 0.076626 0.113727 Zr\n0.076626 0.923374 0.886273 Zr\n0.636109 0.363891 0.250000 Zr\n0.363891 0.636109 0.750000 Zr\n0.780183 0.219817 0.919208 Fe\n0.219817 0.780183 0.080792 Fe\n0.780183 0.219817 0.580792 Fe\n0.219817 0.780183 0.419208 Fe\n0.613907 0.386093 0.458651 Si\n0.386093 0.613907 0.541349 Si\n0.613907 0.386093 0.041349 Si\n0.386093 0.613907 0.958651 Si\n0.333339 0.666661 0.250000 Si\n0.666661 0.333339 0.750000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Zr",
"density": 6.166560215085494,
"density_atomic": 0.06326138111355338,
"volume": 252.91891701321222,
"volume_molar": 9.519458244502017,
"formula_full": "Zr6 Fe4 Si6",
"formula_reduced": "Zr3Fe2Si3",
"formula_anonymous": "A2B3C3",
"energy": -129.90201219000002,
"energy_per_atom": -8.118875761875001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.32801219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0419109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.210000Z",
"spacegroup": 63
},
{
"id": "mp-1207292",
"created_at": "2022-09-04T14:41:29.844587Z",
"structure_string": "Dy2 Si3 Ir3\n1.0\n2.785906 0.000000 0.000000\n0.000000 2.785906 0.000000\n0.000000 0.000000 20.361217\nDy Si Ir\n2 3 3\ndirect\n0.500000 0.500000 0.759095 Dy\n0.500000 0.500000 0.240905 Dy\n0.500000 0.500000 0.386986 Si\n0.500000 0.500000 0.613014 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.110791 Ir\n0.500000 0.500000 0.889209 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Ir"
],
"chemical_system": "Dy-Ir-Si",
"density": 10.359734324002527,
"density_atomic": 0.050623636279798295,
"volume": 158.02894829173806,
"volume_molar": 11.895907134595102,
"formula_full": "Dy2 Si3 Ir3",
"formula_reduced": "Dy2(SiIr)3",
"formula_anonymous": "A2B3C3",
"energy": -46.50102172,
"energy_per_atom": -5.812627715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.50102172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0530963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.607000Z",
"spacegroup": 123
},
{
"id": "mp-569434",
"created_at": "2022-09-04T14:41:46.306277Z",
"structure_string": "Yb4 Zn6 Ge6\n1.0\n2.155155 7.943638 0.000000\n-2.155155 7.943638 0.000000\n0.000000 6.940206 9.320145\nYb Zn Ge\n4 6 6\ndirect\n0.567586 0.567586 0.090055 Yb\n0.432414 0.432414 0.909945 Yb\n0.261142 0.261142 0.333473 Yb\n0.738858 0.738858 0.666527 Yb\n0.767936 0.767936 0.101603 Zn\n0.061941 0.061941 0.675301 Zn\n0.232064 0.232064 0.898397 Zn\n0.419777 0.419777 0.642200 Zn\n0.938059 0.938059 0.324699 Zn\n0.580223 0.580223 0.357800 Zn\n0.916321 0.916321 0.122660 Ge\n0.845688 0.845688 0.823266 Ge\n0.083679 0.083679 0.877340 Ge\n0.617285 0.617285 0.541057 Ge\n0.154312 0.154312 0.176734 Ge\n0.382715 0.382715 0.458943 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Ge"
],
"chemical_system": "Ge-Yb-Zn",
"density": 7.911735563065447,
"density_atomic": 0.0501382721036146,
"volume": 319.11749904214423,
"volume_molar": 12.011065613818484,
"formula_full": "Yb4 Zn6 Ge6",
"formula_reduced": "Yb2(ZnGe)3",
"formula_anonymous": "A2B3C3",
"energy": -48.95425673,
"energy_per_atom": -3.059641045625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.95425673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038746,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.697000Z",
"spacegroup": 12
},
{
"id": "mp-607230",
"created_at": "2022-09-04T14:41:27.415691Z",
"structure_string": "Ca12 Ga12 Rh8\n1.0\n5.843927 0.000000 0.000000\n0.000000 8.122493 0.000000\n0.000000 0.000000 14.995966\nCa Ga Rh\n12 12 8\ndirect\n0.114415 0.546197 0.609047 Ca\n0.618344 0.697388 0.750000 Ca\n0.614415 0.953803 0.109047 Ca\n0.385585 0.046197 0.890953 Ca\n0.614415 0.953803 0.390953 Ca\n0.881656 0.197388 0.750000 Ca\n0.381656 0.302612 0.250000 Ca\n0.385585 0.046197 0.609047 Ca\n0.885585 0.453803 0.109047 Ca\n0.114415 0.546197 0.890953 Ca\n0.118344 0.802612 0.250000 Ca\n0.885585 0.453803 0.390953 Ca\n0.081090 0.852639 0.750000 Ga\n0.876807 0.180503 0.960289 Ga\n0.918910 0.147361 0.250000 Ga\n0.581090 0.647361 0.250000 Ga\n0.123193 0.819497 0.460289 Ga\n0.376807 0.319497 0.039711 Ga\n0.623193 0.680503 0.539711 Ga\n0.623193 0.680503 0.960289 Ga\n0.376807 0.319497 0.460289 Ga\n0.123193 0.819497 0.039711 Ga\n0.418910 0.352639 0.750000 Ga\n0.876807 0.180503 0.539711 Ga\n0.895449 0.891430 0.597266 Rh\n0.604551 0.391430 0.902734 Rh\n0.895449 0.891430 0.902734 Rh\n0.395449 0.608570 0.097266 Rh\n0.104551 0.108570 0.402734 Rh\n0.395449 0.608570 0.402734 Rh\n0.604551 0.391430 0.597266 Rh\n0.104551 0.108570 0.097266 Rh\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Rh"
],
"chemical_system": "Ca-Ga-Rh",
"density": 4.99422355654112,
"density_atomic": 0.044955352071944364,
"volume": 711.8173593388559,
"volume_molar": 13.395826041719033,
"formula_full": "Ca12 Ga12 Rh8",
"formula_reduced": "Ca3Ga3Rh2",
"formula_anonymous": "A2B3C3",
"energy": -139.78481135,
"energy_per_atom": -4.3682753546875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.78481135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0935913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.010000Z",
"spacegroup": 62
},
{
"id": "mp-1217463",
"created_at": "2022-09-04T14:41:28.222735Z",
"structure_string": "Th2 In3 Sn3\n1.0\n4.743894 0.000000 0.000000\n0.000000 4.839092 0.000000\n0.000000 0.000000 9.341656\nTh In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.244977 Th\n0.000000 0.000000 0.755023 Th\n0.500000 0.500000 0.251304 In\n0.500000 0.500000 0.748696 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"In",
"Sn"
],
"chemical_system": "In-Sn-Th",
"density": 9.018318645902703,
"density_atomic": 0.037305018616368105,
"volume": 214.44835833669538,
"volume_molar": 16.14297749568124,
"formula_full": "Th2 In3 Sn3",
"formula_reduced": "Th2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy": -38.31070284,
"energy_per_atom": -4.788837855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.31070284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1030608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.081000Z",
"spacegroup": 47
},
{
"id": "mp-1105701",
"created_at": "2022-09-04T14:42:04.190155Z",
"structure_string": "Hf6 Fe4 Si6\n1.0\n3.853833 0.000000 0.000000\n-1.926916 4.955811 0.000000\n0.000000 0.000000 12.856829\nHf Fe Si\n6 4 6\ndirect\n0.077968 0.155935 0.386643 Hf\n0.922032 0.844065 0.613357 Hf\n0.077968 0.155935 0.113357 Hf\n0.922032 0.844065 0.886643 Hf\n0.363165 0.726330 0.250000 Hf\n0.636835 0.273670 0.750000 Hf\n0.219723 0.439446 0.918473 Fe\n0.780277 0.560554 0.081527 Fe\n0.219723 0.439446 0.581527 Fe\n0.780277 0.560554 0.418473 Fe\n0.388349 0.776698 0.457565 Si\n0.611651 0.223302 0.542435 Si\n0.388349 0.776698 0.042435 Si\n0.611651 0.223302 0.957565 Si\n0.663561 0.327122 0.250000 Si\n0.336439 0.672878 0.750000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Si"
],
"chemical_system": "Fe-Hf-Si",
"density": 9.892415568109863,
"density_atomic": 0.06515961182517517,
"volume": 245.550879629676,
"volume_molar": 9.242137255448283,
"formula_full": "Hf6 Fe4 Si6",
"formula_reduced": "Hf3Fe2Si3",
"formula_anonymous": "A2B3C3",
"energy": -138.04847091000002,
"energy_per_atom": -8.628029431875001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.47447091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7089401,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.173000Z",
"spacegroup": 63
},
{
"id": "mp-975924",
"created_at": "2022-09-04T14:42:04.685593Z",
"structure_string": "Ge12 Ir8 Se12\n1.0\n6.151442 -6.133375 0.000000\n6.151442 6.133375 0.000000\n0.036079 0.000000 8.686612\nGe Ir Se\n12 8 12\ndirect\n0.502317 0.168417 0.651130 Ge\n0.651130 0.502317 0.168417 Ge\n0.168417 0.651130 0.502317 Ge\n0.497683 0.831583 0.348870 Ge\n0.348870 0.497683 0.831583 Ge\n0.831583 0.348870 0.497683 Ge\n0.002283 0.668758 0.849847 Ge\n0.849847 0.002283 0.668758 Ge\n0.668758 0.849847 0.002283 Ge\n0.997717 0.331242 0.150153 Ge\n0.150153 0.997717 0.331242 Ge\n0.331242 0.150153 0.997717 Ge\n0.752872 0.752872 0.752872 Ir\n0.247128 0.247128 0.247128 Ir\n0.748959 0.253844 0.247779 Ir\n0.247779 0.748959 0.253844 Ir\n0.253844 0.247779 0.748959 Ir\n0.251041 0.746156 0.752221 Ir\n0.752221 0.251041 0.746156 Ir\n0.746156 0.752221 0.251041 Ir\n0.496862 0.147271 0.357272 Se\n0.357272 0.496862 0.147271 Se\n0.147271 0.357272 0.496862 Se\n0.503138 0.852729 0.642728 Se\n0.642728 0.503138 0.852729 Se\n0.852729 0.642728 0.503138 Se\n0.999534 0.647371 0.143658 Se\n0.143658 0.999534 0.647371 Se\n0.647371 0.143658 0.999534 Se\n0.000466 0.352629 0.856342 Se\n0.856342 0.000466 0.352629 Se\n0.352629 0.856342 0.000466 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ge",
"Ir",
"Se"
],
"chemical_system": "Ge-Ir-Se",
"density": 8.50423568316715,
"density_atomic": 0.04881947524332494,
"volume": 655.4761156384069,
"volume_molar": 12.335529478726636,
"formula_full": "Ge12 Ir8 Se12",
"formula_reduced": "Ge3Ir2Se3",
"formula_anonymous": "A2B3C3",
"energy": -188.87642952,
"energy_per_atom": -5.9023884225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.21242952,
"band_gap": 0.5894000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.069000Z",
"spacegroup": 148
},
{
"id": "mp-1224887",
"created_at": "2022-09-04T14:42:01.348685Z",
"structure_string": "Fe6 Ni6 B4\n1.0\n5.292509 0.000000 0.000000\n0.000000 4.409396 0.000000\n0.000000 0.002127 6.620967\nFe Ni B\n6 6 4\ndirect\n0.677449 0.896647 0.693596 Fe\n0.177449 0.103353 0.306404 Fe\n0.321122 0.603046 0.188769 Fe\n0.821122 0.396954 0.811231 Fe\n0.319088 0.599657 0.810008 Fe\n0.819088 0.400343 0.189992 Fe\n0.683018 0.901985 0.315669 Ni\n0.183018 0.098015 0.684331 Ni\n0.526829 0.379555 0.497950 Ni\n0.026829 0.620445 0.502050 Ni\n0.471515 0.119124 0.001047 Ni\n0.971515 0.880876 0.998953 Ni\n0.878865 0.193583 0.504419 B\n0.378865 0.806417 0.495581 B\n0.122113 0.304957 0.999197 B\n0.622113 0.695043 0.000803 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"B"
],
"chemical_system": "B-Fe-Ni",
"density": 7.850403248362051,
"density_atomic": 0.10355184718475592,
"volume": 154.51197091108378,
"volume_molar": 5.815580237072324,
"formula_full": "Fe6 Ni6 B4",
"formula_reduced": "Fe3Ni3B2",
"formula_anonymous": "A2B3C3",
"energy": -115.58346942,
"energy_per_atom": -7.22396683875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.58346942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2358525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.179000Z",
"spacegroup": 4
},
{
"id": "mp-29928",
"created_at": "2022-09-04T14:42:04.142980Z",
"structure_string": "Na3 Li3 N2\n1.0\n4.288391 0.000000 0.000000\n0.000000 3.868504 0.000000\n0.000000 0.065759 7.304810\nNa Li N\n3 3 2\ndirect\n0.500000 0.351628 0.527483 Na\n0.000000 0.634424 0.357739 Na\n0.500000 0.611550 0.861622 Na\n0.000000 0.992924 0.718265 Li\n0.000000 0.437720 0.018268 Li\n0.500000 0.013494 0.175576 Li\n0.000000 0.490314 0.716251 N\n0.500000 0.509946 0.185796 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.614243625570358,
"density_atomic": 0.06601515336204186,
"volume": 121.18429773428248,
"volume_molar": 9.122361235719977,
"formula_full": "Na3 Li3 N2",
"formula_reduced": "Na3Li3N2",
"formula_anonymous": "A2B3C3",
"energy": -27.199630820000003,
"energy_per_atom": -3.3999538525000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.47763082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.198000Z",
"spacegroup": 6
},
{
"id": "mp-1206089",
"created_at": "2022-09-04T14:42:01.432381Z",
"structure_string": "Tb2 Si3 Ir3\n1.0\n2.785336 -0.238807 0.916455\n-0.039644 3.313816 0.983882\n5.696751 8.721655 19.453722\nTb Si Ir\n2 3 3\ndirect\n0.538543 0.490242 0.752482 Tb\n0.452496 0.507087 0.248413 Tb\n0.356357 0.384365 0.404222 Si\n0.637820 0.616147 0.595658 Si\n0.484410 0.497366 0.000807 Si\n0.497663 0.609620 0.097914 Ir\n0.512656 0.395903 0.900693 Ir\n0.520055 0.499270 0.499813 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 11.905136555232893,
"density_atomic": 0.0586003024055666,
"volume": 136.51806682895307,
"volume_molar": 10.276637684088028,
"formula_full": "Tb2 Si3 Ir3",
"formula_reduced": "Tb2(SiIr)3",
"formula_anonymous": "A2B3C3",
"energy": -55.86777057,
"energy_per_atom": -6.98347132125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.86777057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0107267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.930000Z",
"spacegroup": 6
},
{
"id": "mp-1220675",
"created_at": "2022-09-04T14:43:08.340005Z",
"structure_string": "Nb2 Al3 Ga3\n1.0\n3.835008 0.000000 0.000000\n0.000000 3.835008 0.000000\n0.000000 0.000000 8.690630\nNb Al Ga\n2 3 3\ndirect\n0.500000 0.000000 0.749911 Nb\n0.000000 0.500000 0.250089 Nb\n0.000000 0.500000 0.751369 Al\n0.500000 0.000000 0.248631 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Nb",
"density": 6.183082803691655,
"density_atomic": 0.06259017676815104,
"volume": 127.81558405936302,
"volume_molar": 9.621542981588705,
"formula_full": "Nb2 Al3 Ga3",
"formula_reduced": "Nb2(AlGa)3",
"formula_anonymous": "A2B3C3",
"energy": -43.39501842,
"energy_per_atom": -5.4243773025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.39501842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.086000Z",
"spacegroup": 115
}
]
}