HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=663",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=661",
"results": [
{
"id": "jvasp-55389",
"created_at": "2022-09-04T14:38:35.121392Z",
"updated_at": "2022-09-04T14:38:35.121404Z",
"structure_string": "Ca4 Al6 W1 O16\n1.0\n7.692025 -0.000000 -2.719542\n-3.846012 6.661488 -2.719542\n0.000000 0.000000 8.158624\nCa Al W O\n4 6 1 16\ndirect\n0.497832 0.497832 0.497832 Ca\n-0.000000 -0.000000 0.502168 Ca\n0.502168 0.000000 0.000000 Ca\n0.000000 0.502168 0.000000 Ca\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.750000 0.250000 Al\n0.750000 0.500000 0.250000 Al\n0.000000 0.000000 0.000000 W\n0.606787 0.305884 0.606787 O\n-0.000000 -0.000000 0.220394 O\n0.300903 0.694116 0.300903 O\n0.779606 0.779607 0.779606 O\n0.694116 0.300903 0.300903 O\n0.000000 0.393213 0.699097 O\n0.699097 -0.000000 0.393213 O\n0.393213 -0.000000 0.699097 O\n0.699097 0.393213 0.000000 O\n0.300903 0.300903 0.694116 O\n0.000000 0.699097 0.393213 O\n0.393213 0.699097 0.000000 O\n0.606787 0.606787 0.305884 O\n0.305884 0.606787 0.606787 O\n0.220394 0.000000 0.000000 O\n0.000000 0.220394 0.000000 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ca",
"Al",
"W",
"O"
],
"chemical_system": "Al-Ca-O-W",
"density": 3.026866319922145,
"density_atomic": 0.06458548252440915,
"volume": 418.0506043257591,
"volume_molar": 9.32429475575106,
"formula_full": "Ca4 Al6 W1 O16",
"formula_reduced": "Ca4Al6WO16",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.486793499259259,
"spacegroup": 217
},
{
"id": "jvasp-49229",
"created_at": "2022-09-04T14:38:36.463768Z",
"updated_at": "2022-09-04T14:38:36.463798Z",
"structure_string": "Ca4 Al6 Te1 O12\n1.0\n7.524552 0.000000 -2.660331\n-3.762276 6.516453 -2.660331\n-0.000000 -0.000000 7.980993\nCa Al Te O\n4 6 1 12\ndirect\n0.610947 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.610947 Ca\n0.389052 0.389053 0.389053 Ca\n-0.000000 0.610947 -0.000000 Ca\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Te\n0.416028 0.715181 -0.000000 O\n-0.000000 0.416028 0.715181 O\n0.715181 0.416028 -0.000000 O\n-0.000001 0.715181 0.416028 O\n0.700846 0.284818 0.284818 O\n0.284818 0.700847 0.284818 O\n0.715181 0.000000 0.416028 O\n0.299153 0.583971 0.583971 O\n0.583971 0.299153 0.583971 O\n0.284818 0.284818 0.700847 O\n0.583971 0.583971 0.299153 O\n0.416028 0.000000 0.715181 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Te",
"O"
],
"chemical_system": "Al-Ca-O-Te",
"density": 2.7233027620049293,
"density_atomic": 0.0587731531535847,
"volume": 391.33513799909474,
"volume_molar": 10.246414284193797,
"formula_full": "Ca4 Al6 Te1 O12",
"formula_reduced": "Ca4Al6TeO12",
"formula_anonymous": "AB4C6D12",
"energy_above_hull": 1.9769529672463768,
"spacegroup": 217
},
{
"id": "jvasp-9874",
"created_at": "2022-09-04T14:37:56.509355Z",
"updated_at": "2022-09-04T14:37:56.509379Z",
"structure_string": "Ca4 Al2 Sn2 O10\n1.0\n5.579972 -0.050404 0.131727\n-0.169970 6.009014 0.180175\n-2.421309 -2.754826 7.146242\nCa Al Sn O\n4 2 2 10\ndirect\n0.171085 0.710704 0.280817 Ca\n0.439907 0.890343 0.773690 Ca\n0.881894 0.316893 0.756232 Ca\n0.668047 0.066369 0.272085 Ca\n0.278524 0.337594 0.512362 Al\n0.778205 0.662310 0.486419 Al\n0.509932 0.488546 0.004656 Sn\n0.039488 0.018694 0.001193 Sn\n0.217604 0.379266 0.079476 O\n0.345266 0.806576 0.056019 O\n0.654588 0.929133 0.568030 O\n0.105574 0.100999 0.309131 O\n0.585915 0.414810 0.491291 O\n0.756505 0.671560 0.265012 O\n0.106689 0.596259 0.542539 O\n0.680402 0.192612 0.016249 O\n0.287378 0.266578 0.714082 O\n0.730769 0.646272 0.897204 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ca-O-Sn",
"density": 4.157337985679687,
"density_atomic": 0.07367294244952355,
"volume": 244.32307712336265,
"volume_molar": 8.174155340851256,
"formula_full": "Ca4 Al2 Sn2 O10",
"formula_reduced": "Ca2AlSnO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.4414314266666666,
"spacegroup": 1
},
{
"id": "jvasp-57520",
"created_at": "2022-09-04T14:37:29.745297Z",
"updated_at": "2022-09-04T14:37:29.745320Z",
"structure_string": "Ca4 Al4 Si2 O14\n1.0\n7.666501 0.000000 0.000000\n0.000000 7.666501 -0.000000\n0.000000 0.000000 5.145971\nCa Al Si O\n4 4 2 14\ndirect\n0.844620 0.344620 0.485057 Ca\n0.155380 0.655380 0.485057 Ca\n0.655380 0.844620 0.514943 Ca\n0.344620 0.155380 0.514943 Ca\n0.644550 0.144551 0.026440 Al\n0.355449 0.855449 0.026440 Al\n0.855449 0.644550 0.973560 Al\n0.144551 0.355449 0.973560 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.854823 0.645177 0.309887 O\n0.093757 0.150842 0.820049 O\n0.150842 0.906243 0.179951 O\n0.000000 0.500000 0.821192 O\n0.500000 0.000000 0.178808 O\n0.849158 0.093757 0.179951 O\n0.406243 0.650842 0.179951 O\n0.145177 0.354823 0.309887 O\n0.349158 0.406243 0.820049 O\n0.354823 0.854823 0.690113 O\n0.906243 0.849158 0.820049 O\n0.645177 0.145177 0.690113 O\n0.650842 0.593757 0.820049 O\n0.593757 0.349158 0.179951 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.0108243052403654,
"density_atomic": 0.07935047191927458,
"volume": 302.45566812023327,
"volume_molar": 7.589294196166206,
"formula_full": "Ca4 Al4 Si2 O14",
"formula_reduced": "Ca2Al2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.015294961666667,
"spacegroup": 113
},
{
"id": "jvasp-35133",
"created_at": "2022-09-04T14:37:32.892428Z",
"updated_at": "2022-09-04T14:37:32.892451Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.015720 0.000000 5.307478\n-4.667894 4.341420 1.325676\n-4.667894 -4.341420 1.325676\nCa Al Si O\n2 4 2 12\ndirect\n0.240079 0.321256 0.693568 Ca\n0.740079 0.693568 0.321256 Ca\n0.210548 0.809151 0.612460 Al\n0.710549 0.612460 0.809151 Al\n0.261080 0.910861 0.088846 Al\n0.761080 0.088846 0.910861 Al\n0.281760 0.382543 0.188752 Si\n0.781760 0.188752 0.382543 Si\n0.623640 0.827491 0.975534 O\n0.012987 0.333390 0.358366 O\n0.700098 0.110052 0.626549 O\n0.874605 0.020083 0.200589 O\n0.512987 0.358366 0.333390 O\n0.322952 0.914228 0.358217 O\n0.374605 0.200589 0.020083 O\n0.972263 0.661034 0.607021 O\n0.822952 0.358217 0.914228 O\n0.123639 0.975534 0.827491 O\n0.200098 0.626549 0.110052 O\n0.472263 0.607021 0.661034 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3646846295903647,
"density_atomic": 0.09289532317736934,
"volume": 215.29609151381146,
"volume_molar": 6.48271684087007,
"formula_full": "Ca2 Al4 Si2 O12",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.136462562,
"spacegroup": 9
},
{
"id": "jvasp-35132",
"created_at": "2022-09-04T14:37:33.666315Z",
"updated_at": "2022-09-04T14:37:33.666324Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.019980 0.000000 5.318751\n-4.654223 4.342904 1.324817\n-4.654223 -4.342904 1.324817\nCa Al Si O\n2 4 2 12\ndirect\n0.250001 0.311804 0.688196 Ca\n0.750001 0.688398 0.311601 Ca\n0.213809 0.813940 0.615168 Al\n0.286192 0.384832 0.186059 Al\n0.250001 0.911238 0.088761 Al\n0.750001 0.089790 0.910209 Al\n0.782079 0.194644 0.387056 Si\n0.717922 0.612943 0.805355 Si\n0.632302 0.804817 0.968989 O\n0.014439 0.327781 0.381189 O\n0.692888 0.096346 0.626494 O\n0.867699 0.031010 0.195182 O\n0.527004 0.372847 0.341464 O\n0.324502 0.899513 0.356727 O\n0.387202 0.178902 0.012938 O\n0.972997 0.658535 0.627152 O\n0.807113 0.373506 0.903653 O\n0.112799 0.987061 0.821098 O\n0.175499 0.643272 0.100486 O\n0.485562 0.618810 0.672218 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3654977164619315,
"density_atomic": 0.09291777163124261,
"volume": 215.24407708971805,
"volume_molar": 6.481150649952866,
"formula_full": "Ca2 Al4 Si2 O12",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.133037562,
"spacegroup": 5
},
{
"id": "jvasp-88635",
"created_at": "2022-09-04T14:35:59.078907Z",
"updated_at": "2022-09-04T14:35:59.078932Z",
"structure_string": "Ca4 Al8 Si4 O24\n1.0\n9.321242 0.000000 -2.670246\n0.000000 8.711026 0.000000\n0.006271 0.000000 5.312089\nCa Al Si O\n4 8 4 24\ndirect\n-0.000000 0.315061 0.250000 Ca\n0.500000 0.807654 0.250000 Ca\n-0.000000 0.692347 0.750000 Ca\n0.500000 0.184939 0.750000 Ca\n0.784170 0.597695 0.211624 Al\n0.215829 0.597695 0.288375 Al\n0.715829 0.902305 0.788375 Al\n0.284170 0.902305 0.711624 Al\n-0.000000 0.906543 0.250000 Al\n0.500000 0.411254 0.250000 Al\n-0.000000 0.088746 0.750000 Al\n0.500000 0.593458 0.750000 Al\n0.792347 0.402244 0.717040 Si\n0.207652 0.402244 0.782959 Si\n0.707652 0.097756 0.282959 Si\n0.292348 0.097756 0.217040 Si\n0.613929 0.407648 0.628324 O\n0.356525 0.984101 0.471208 O\n0.366587 0.728103 0.816324 O\n0.096411 0.927187 0.614036 O\n0.145075 0.472617 0.015858 O\n0.132252 0.236766 0.685144 O\n0.386071 0.407648 0.871675 O\n0.643475 0.984101 0.028791 O\n0.633412 0.728103 0.683675 O\n0.903588 0.927187 0.885963 O\n0.143475 0.515900 0.528791 O\n0.596411 0.572814 0.114035 O\n0.403589 0.572814 0.385964 O\n0.645075 0.027384 0.515858 O\n0.632252 0.263234 0.185143 O\n0.886071 0.092352 0.371675 O\n0.856525 0.515900 0.971208 O\n0.866587 0.771897 0.316324 O\n0.867747 0.236766 0.814856 O\n0.354925 0.027384 0.984141 O\n0.367747 0.263234 0.314856 O\n0.113929 0.092352 0.128325 O\n0.133413 0.771897 0.183675 O\n0.854925 0.472617 0.484141 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3578030892837765,
"density_atomic": 0.09270533125208852,
"volume": 431.47464616927147,
"volume_molar": 6.496002634006369,
"formula_full": "Ca4 Al8 Si4 O24",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1331025620000004,
"spacegroup": 13
},
{
"id": "jvasp-112601",
"created_at": "2022-09-04T14:38:41.692268Z",
"updated_at": "2022-09-04T14:38:41.692288Z",
"structure_string": "Ca2 Al2 Si2 O10\n1.0\n5.252067 -0.002593 1.227906\n-1.901257 4.895860 1.227906\n0.020643 0.030146 6.975509\nCa Al Si O\n2 2 2 10\ndirect\n0.673158 0.326843 0.750001 Ca\n0.326842 0.673158 0.250001 Ca\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.316054 0.683947 0.750001 Si\n0.683946 0.316055 0.250001 Si\n0.938195 0.061807 0.750000 O\n0.061805 0.938195 0.250001 O\n0.307131 0.884321 0.893776 O\n0.692869 0.115681 0.106225 O\n0.115680 0.692869 0.606225 O\n0.884320 0.307132 0.393776 O\n0.632136 0.757262 0.600988 O\n0.367864 0.242740 0.399013 O\n0.242739 0.367865 0.899013 O\n0.757261 0.632137 0.100988 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.2505780458095925,
"density_atomic": 0.08941514535960618,
"volume": 178.9406026870711,
"volume_molar": 6.7350343566298525,
"formula_full": "Ca2 Al2 Si2 O10",
"formula_reduced": "CaAlSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.020614915,
"spacegroup": 15
},
{
"id": "jvasp-59313",
"created_at": "2022-09-04T14:38:04.582874Z",
"updated_at": "2022-09-04T14:38:04.582893Z",
"structure_string": "Ca12 Al8 Si12 O48\n1.0\n9.742989 -0.000000 -3.444667\n-4.871494 8.437675 -3.444667\n0.000000 0.000000 10.334000\nCa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.250001 0.875000 0.625000 Ca\n0.875001 0.625000 0.250000 Ca\n0.625001 0.875000 0.750000 Ca\n0.875001 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375001 0.750000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750001 0.625000 0.875000 Ca\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.625001 0.750000 0.375000 Si\n0.750001 0.875000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.125001 0.875000 0.250000 Si\n0.125001 0.750000 0.875000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.375000 0.625000 Si\n0.375001 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.605582 0.916524 0.113132 O\n0.394419 0.810943 0.507551 O\n0.386868 0.303392 0.492449 O\n0.303392 0.492449 0.386868 O\n0.894419 0.007551 0.310942 O\n0.113133 0.605582 0.916524 O\n0.196609 0.583477 0.189058 O\n0.310943 0.894419 0.007551 O\n0.507551 0.394419 0.810942 O\n0.916524 0.303392 0.310942 O\n0.810943 0.803392 0.416523 O\n0.394419 0.083476 0.886868 O\n0.689058 0.105581 0.992449 O\n0.803392 0.416524 0.810942 O\n0.886868 0.394419 0.083476 O\n0.105582 0.992450 0.689058 O\n0.696609 0.507551 0.613132 O\n0.416524 0.105581 0.613132 O\n0.613133 0.696609 0.507551 O\n0.886869 0.992450 0.803391 O\n0.083477 0.886868 0.394419 O\n0.803392 0.886868 0.992449 O\n0.992450 0.689058 0.105581 O\n0.992450 0.803392 0.886868 O\n0.689058 0.083476 0.696608 O\n0.105582 0.613132 0.416524 O\n0.416524 0.810943 0.803391 O\n0.583477 0.894419 0.386868 O\n0.083477 0.696609 0.689058 O\n0.696609 0.689058 0.083476 O\n0.303392 0.310943 0.916524 O\n0.605581 0.189058 0.492449 O\n0.189058 0.492449 0.605581 O\n0.386868 0.583477 0.894419 O\n0.492449 0.386868 0.303391 O\n0.113132 0.007551 0.196608 O\n0.916524 0.113132 0.605581 O\n0.583477 0.189058 0.196608 O\n0.196609 0.113132 0.007551 O\n0.007551 0.196609 0.113132 O\n0.310943 0.916524 0.303391 O\n0.894419 0.386868 0.583476 O\n0.492450 0.605582 0.189058 O\n0.507551 0.613132 0.696608 O\n0.613133 0.416524 0.105581 O\n0.810943 0.507551 0.394419 O\n0.007551 0.310943 0.894419 O\n0.189058 0.196609 0.583476 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.5218327231965616,
"density_atomic": 0.09416868898548741,
"volume": 849.5392774590821,
"volume_molar": 6.395056387509109,
"formula_full": "Ca12 Al8 Si12 O48",
"formula_reduced": "Ca3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.389565233,
"spacegroup": 230
},
{
"id": "jvasp-120540",
"created_at": "2022-09-04T14:38:53.123337Z",
"updated_at": "2022-09-04T14:38:53.123375Z",
"structure_string": "Ca4 Al4 Si2 O14\n1.0\n7.711531 -0.000000 0.000000\n0.000000 5.060937 0.036702\n0.000000 0.047295 7.734089\nCa Al Si O\n4 4 2 14\ndirect\n0.346740 0.520894 0.927763 Ca\n0.846739 0.479106 0.072237 Ca\n0.666197 0.503547 0.602350 Ca\n0.166197 0.496453 0.397650 Ca\n0.500323 0.002088 0.256138 Al\n0.000323 0.997912 0.743861 Al\n0.141611 0.962739 0.105803 Al\n0.641611 0.037261 0.894197 Al\n0.854939 0.947431 0.393094 Si\n0.354939 0.052568 0.606905 Si\n0.641853 0.696518 0.888125 O\n0.141853 0.303481 0.111874 O\n0.165071 0.191282 0.643657 O\n0.665071 0.808718 0.356343 O\n0.832777 0.199130 0.821298 O\n0.332777 0.800869 0.178702 O\n0.982946 0.819324 0.245694 O\n0.592827 0.194227 0.090649 O\n0.917935 0.797314 0.574938 O\n0.417935 0.202686 0.425062 O\n0.856780 0.265921 0.396544 O\n0.482946 0.180676 0.754306 O\n0.092827 0.805773 0.909351 O\n0.356780 0.734079 0.603456 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.0170721489481123,
"density_atomic": 0.0795151342497283,
"volume": 301.82933383001875,
"volume_molar": 7.573578057589178,
"formula_full": "Ca4 Al4 Si2 O14",
"formula_reduced": "Ca2Al2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.0127591283333337,
"spacegroup": 4
},
{
"id": "jvasp-79259",
"created_at": "2022-09-04T14:37:12.629952Z",
"updated_at": "2022-09-04T14:37:12.629984Z",
"structure_string": "Ca1 Al1 Si1 H1\n1.0\n4.143250 0.000000 0.000000\n-2.071625 3.588160 -0.000000\n0.000000 -0.000000 4.724040\nCa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001675 Ca\n0.666667 0.333333 0.545093 Al\n0.333332 0.666667 0.431140 Si\n0.666667 0.333333 0.915392 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"H"
],
"chemical_system": "Al-Ca-H-Si",
"density": 2.2734496164047564,
"density_atomic": 0.056955213680666056,
"volume": 70.23062054383679,
"volume_molar": 10.573467064428323,
"formula_full": "Ca1 Al1 Si1 H1",
"formula_reduced": "CaAlSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.615520455,
"spacegroup": 156
},
{
"id": "jvasp-9858",
"created_at": "2022-09-04T14:37:35.804798Z",
"updated_at": "2022-09-04T14:37:35.804816Z",
"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n5.565718 0.000795 0.020078\n-0.000806 5.873850 -0.003983\n-2.181183 -2.932132 7.587959\nCa Al Sb O\n4 2 2 10\ndirect\n0.176574 0.645760 0.252088 Ca\n0.393729 0.894807 0.740197 Ca\n0.893729 0.343272 0.740206 Ca\n0.676578 0.104208 0.252085 Ca\n0.260504 0.303765 0.483932 Al\n0.760504 0.678043 0.483931 Al\n0.537938 0.487432 0.006928 Sb\n0.037945 0.017370 0.006927 Sb\n0.376168 0.284752 0.117226 O\n0.192076 0.640778 0.979040 O\n0.711266 0.950375 0.636545 O\n0.142165 0.052519 0.276110 O\n0.573113 0.435163 0.507807 O\n0.642183 0.721479 0.276110 O\n0.073110 0.570516 0.507803 O\n0.876170 0.330346 0.117212 O\n0.211266 0.184055 0.636549 O\n0.692070 0.836140 0.979030 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sb",
"O"
],
"chemical_system": "Al-Ca-O-Sb",
"density": 4.132223189944278,
"density_atomic": 0.07250483236339837,
"volume": 248.2593147692966,
"volume_molar": 8.305847436232504,
"formula_full": "Ca4 Al2 Sb2 O10",
"formula_reduced": "Ca2AlSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6063496933333332,
"spacegroup": 9
}
]
}