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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=115",
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"results": [
{
"id": "mp-1079029",
"created_at": "2022-09-04T14:41:49.405074Z",
"structure_string": "Al4 S6\n1.0\n5.759557 -3.041401 0.000000\n5.759557 3.041401 0.000000\n4.153510 0.000000 5.017069\nAl S\n4 6\ndirect\n0.849316 0.849316 0.849316 Al\n0.349316 0.349316 0.349316 Al\n0.150684 0.150684 0.150684 Al\n0.650684 0.650684 0.650684 Al\n0.444759 0.055241 0.750000 S\n0.750000 0.444759 0.055241 S\n0.055241 0.750000 0.444759 S\n0.250000 0.555241 0.944759 S\n0.944759 0.250000 0.555241 S\n0.555241 0.944759 0.250000 S\n",
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{
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"structure_string": "Al12 S18\n1.0\n6.846731 0.000000 0.000000\n3.173885 6.375483 0.000000\n2.309378 1.584307 21.868676\nAl S\n12 18\ndirect\n0.574646 0.561166 0.161257 Al\n0.610379 0.488460 0.711767 Al\n0.899624 0.759606 0.267859 Al\n0.628599 0.093449 0.109847 Al\n0.509601 0.508150 0.536867 Al\n0.181007 0.417273 0.221197 Al\n0.672058 0.036592 0.675765 Al\n0.170077 0.693398 0.732780 Al\n0.103721 0.148417 0.178071 Al\n0.437218 0.136489 0.988615 Al\n0.668851 0.270795 0.330318 Al\n0.993940 0.600390 0.601637 Al\n0.483965 0.857660 0.651891 S\n0.495922 0.368460 0.634796 S\n0.880037 0.985473 0.182424 S\n0.762788 0.052931 0.014270 S\n0.457146 0.518550 0.261843 S\n0.974303 0.417504 0.693541 S\n0.133944 0.258124 0.956372 S\n0.644606 0.495827 0.393976 S\n0.776788 0.935027 0.351343 S\n0.372550 0.433868 0.121971 S\n0.181570 0.570867 0.510977 S\n0.911325 0.461311 0.124323 S\n0.656746 0.130978 0.771803 S\n0.632576 0.767303 0.564498 S\n0.018831 0.878508 0.639918 S\n0.413445 0.915695 0.125727 S\n0.797192 0.333223 0.474182 S\n0.956548 0.904506 0.806044 S\n",
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"formula_full": "Al12 S18",
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"updated_at": "2021-11-28T01:37:19.482000Z",
"spacegroup": 1
},
{
"id": "mp-1228158",
"created_at": "2022-09-04T14:40:29.101996Z",
"structure_string": "Al5 S8\n1.0\n0.000000 4.971947 4.971947\n4.971947 0.000000 4.971947\n4.971947 4.971947 0.000000\nAl S\n5 8\ndirect\n0.633303 0.633303 0.100091 Al\n0.633303 0.100091 0.633303 Al\n0.100091 0.633303 0.633303 Al\n0.633303 0.633303 0.633303 Al\n0.250000 0.250000 0.250000 Al\n0.870899 0.870899 0.387302 S\n0.870899 0.387302 0.870899 S\n0.387302 0.870899 0.870899 S\n0.870899 0.870899 0.870899 S\n0.383702 0.383702 0.848894 S\n0.383702 0.848894 0.383702 S\n0.848894 0.383702 0.383702 S\n0.383702 0.383702 0.383702 S\n",
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"density": 2.644180989290091,
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"volume": 245.8156149704858,
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"formula_full": "Al5 S8",
"formula_reduced": "Al5S8",
"formula_anonymous": "A5B8",
"energy": -68.11698592,
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},
{
"id": "mp-1376661",
"created_at": "2022-09-04T14:42:51.476169Z",
"structure_string": "Al12 S18\n1.0\n6.475790 0.000000 0.000000\n-2.784261 6.801359 0.000000\n-0.873776 -3.705426 20.591211\nAl S\n12 18\ndirect\n0.372864 0.704881 0.193068 Al\n0.894406 0.924879 0.744085 Al\n0.955429 0.606085 0.359232 Al\n0.865623 0.584762 0.108294 Al\n0.053271 0.892115 0.428514 Al\n0.332768 0.131841 0.187464 Al\n0.089456 0.603468 0.516707 Al\n0.697258 0.710153 0.625669 Al\n0.640005 0.032662 0.121344 Al\n0.892930 0.336115 0.018808 Al\n0.361667 0.359533 0.325168 Al\n0.799333 0.429997 0.678864 Al\n0.351017 0.721287 0.652414 S\n0.983950 0.988711 0.637823 S\n0.085832 0.797626 0.164836 S\n0.935684 0.641845 0.998431 S\n0.133268 0.101507 0.283840 S\n0.151819 0.467291 0.614465 S\n0.669086 0.037455 0.011772 S\n0.363450 0.877402 0.465180 S\n0.717793 0.398209 0.305601 S\n0.482829 0.476236 0.144401 S\n0.763131 0.663784 0.519865 S\n0.937511 0.354824 0.454559 S\n0.111179 0.895613 0.815967 S\n0.667854 0.122451 0.742482 S\n0.321134 0.654264 0.303744 S\n0.965166 0.309363 0.121322 S\n0.190503 0.240995 0.437130 S\n0.417904 0.138764 0.814834 S\n",
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"elements": [
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"volume": 906.9228512983968,
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"formula_full": "Al12 S18",
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"energy": -132.23303183,
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"updated_at": "2021-11-28T01:35:52.397000Z",
"spacegroup": 1
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{
"id": "mp-15621",
"created_at": "2022-09-04T14:39:39.968780Z",
"structure_string": "Al8 Sb8\n1.0\n7.612633 0.000000 0.000000\n0.000000 7.612633 0.000000\n0.000000 0.000000 7.612633\nAl Sb\n8 8\ndirect\n0.343055 0.343055 0.343055 Al\n0.156945 0.656945 0.843055 Al\n0.843055 0.156945 0.656945 Al\n0.656945 0.843055 0.156945 Al\n0.656945 0.656945 0.656945 Al\n0.843055 0.343055 0.156945 Al\n0.156945 0.843055 0.343055 Al\n0.343055 0.156945 0.843055 Al\n0.140905 0.140905 0.140905 Sb\n0.359095 0.859095 0.640905 Sb\n0.640905 0.359095 0.859095 Sb\n0.859095 0.640905 0.359095 Sb\n0.859095 0.859095 0.859095 Sb\n0.640905 0.140905 0.359095 Sb\n0.359095 0.640905 0.140905 Sb\n0.140905 0.359095 0.640905 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Al-Sb",
"density": 4.478851613303173,
"density_atomic": 0.036267306526014155,
"volume": 441.1686869694436,
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"formula_full": "Al8 Sb8",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy": -65.21255131,
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"updated_at": "2021-11-28T01:34:26.385000Z",
"spacegroup": 205
},
{
"id": "mp-1018100",
"created_at": "2022-09-04T14:44:57.485969Z",
"structure_string": "Al2 Sb2\n1.0\n2.200212 -3.810879 0.000000\n2.200212 3.810879 0.000000\n0.000000 0.000000 7.220631\nAl Sb\n2 2\ndirect\n0.666667 0.333333 0.499921 Al\n0.333333 0.666667 0.999921 Al\n0.666667 0.333333 0.875179 Sb\n0.333333 0.666667 0.375179 Sb\n",
"nsites": 4,
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"density": 4.079590077867842,
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"formula_full": "Al2 Sb2",
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"spacegroup": 186
},
{
"id": "mp-1228806",
"created_at": "2022-09-04T14:42:20.522739Z",
"structure_string": "Al1 Sb1\n1.0\n-2.717718 2.717718 1.600007\n2.717718 -2.717718 1.600007\n2.717718 2.717718 -1.600007\nAl Sb\n1 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "mp-1023918",
"created_at": "2022-09-04T14:39:11.084902Z",
"structure_string": "Al2 Sb2\n1.0\n2.844294 -3.242469 0.000000\n2.844294 3.242469 0.000000\n0.000000 0.000000 5.218031\nAl Sb\n2 2\ndirect\n0.625944 0.374056 0.750000 Al\n0.374056 0.625944 0.250000 Al\n0.195299 0.804701 0.750000 Sb\n0.804701 0.195299 0.250000 Sb\n",
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{
"id": "mp-2624",
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"structure_string": "Al1 Sb1\n1.0\n0.000000 3.116880 3.116880\n3.116880 0.000000 3.116880\n3.116880 3.116880 0.000000\nAl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "mp-11674",
"created_at": "2022-09-04T14:40:42.832999Z",
"structure_string": "Al4 Se6\n1.0\n3.423402 5.979539 0.000000\n-3.423402 5.979539 0.000000\n0.000000 3.831567 6.371805\nAl Se\n4 6\ndirect\n0.637738 0.444740 0.870590 Al\n0.444740 0.637738 0.370590 Al\n0.264797 0.135980 0.883452 Al\n0.135980 0.264797 0.383452 Al\n0.908975 0.087976 0.013288 Se\n0.087976 0.908975 0.513288 Se\n0.585178 0.758160 0.985097 Se\n0.758160 0.585178 0.485097 Se\n0.248118 0.428138 0.997573 Se\n0.428138 0.248118 0.497573 Se\n",
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"volume": 260.86635795161345,
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"formula_full": "Al4 Se6",
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"energy": -47.19101989000001,
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"updated_at": "2021-11-28T01:35:04.762000Z",
"spacegroup": 9
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{
"id": "mp-1228165",
"created_at": "2022-09-04T14:41:33.889360Z",
"structure_string": "Al5 Se8\n1.0\n0.000000 5.265895 5.265895\n5.265895 0.000000 5.265895\n5.265895 5.265895 0.000000\nAl Se\n5 8\ndirect\n0.884972 0.884972 0.345085 Al\n0.884972 0.345085 0.884972 Al\n0.345085 0.884972 0.884972 Al\n0.884972 0.884972 0.884972 Al\n0.500000 0.500000 0.500000 Al\n0.123141 0.123141 0.630578 Se\n0.123141 0.630578 0.123141 Se\n0.630578 0.123141 0.123141 Se\n0.123141 0.123141 0.123141 Se\n0.634151 0.634151 0.097546 Se\n0.634151 0.097546 0.634151 Se\n0.097546 0.634151 0.634151 Se\n0.634151 0.634151 0.634151 Se\n",
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"formula_full": "Al5 Se8",
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"formula_anonymous": "A5B8",
"energy": -60.17621232,
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},
{
"id": "mp-1247838",
"created_at": "2022-09-04T14:45:53.321756Z",
"structure_string": "Al4 Se6\n1.0\n24.880681 0.019323 0.054757\n12.445726 7.316565 0.067552\n8.330696 0.098343 15.663395\nAl Se\n4 6\ndirect\n0.785855 0.353290 0.607830 Al\n0.947014 0.666284 0.159815 Al\n0.133989 0.318524 0.607755 Al\n0.472558 0.328093 0.607674 Al\n0.992734 0.666910 0.020937 Se\n0.420470 0.320258 0.745695 Se\n0.600034 0.666586 0.199626 Se\n0.759763 0.327185 0.745783 Se\n0.646837 0.666451 0.059485 Se\n0.074078 0.353086 0.745401 Se\n",
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"elements": [
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"volume": 2844.1901468546585,
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"formula_full": "Al4 Se6",
"formula_reduced": "Al2Se3",
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"updated_at": "2021-11-28T01:37:09.187000Z",
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}
]
}