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{
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{
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"formula_full": "Li8 Ge2 O8",
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{
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"structure_string": "Sr4 Si8 O20\n1.0\n2.646978 -4.691486 0.000000\n2.646978 4.691486 0.000000\n0.000000 0.000000 13.669367\nSr Si O\n4 8 20\ndirect\n0.660740 0.339260 0.916087 Sr\n0.160740 0.839260 0.583913 Sr\n0.339260 0.660740 0.083913 Sr\n0.839260 0.160740 0.416087 Sr\n0.494250 0.505750 0.638549 Si\n0.005750 0.994250 0.138549 Si\n0.173844 0.826156 0.316397 Si\n0.994250 0.005750 0.861451 Si\n0.826156 0.173844 0.683603 Si\n0.505750 0.494250 0.361451 Si\n0.326156 0.673844 0.816397 Si\n0.673844 0.326156 0.183603 Si\n0.834987 0.165013 0.102625 O\n0.844401 0.664695 0.406174 O\n0.164695 0.344401 0.906174 O\n0.165013 0.834987 0.897375 O\n0.334987 0.665013 0.397375 O\n0.665013 0.334987 0.602625 O\n0.488235 0.511765 0.756927 O\n0.664695 0.844401 0.593826 O\n0.011765 0.988235 0.256927 O\n0.335305 0.155599 0.406174 O\n0.344401 0.164695 0.093826 O\n0.003462 0.496538 0.750000 O\n0.155599 0.335305 0.593826 O\n0.655599 0.835305 0.906174 O\n0.835305 0.655599 0.093826 O\n0.988235 0.011765 0.743073 O\n0.996538 0.503462 0.250000 O\n0.496538 0.003462 0.250000 O\n0.511765 0.488235 0.243073 O\n0.503462 0.996538 0.750000 O\n",
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"density": 4.378312218316385,
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"volume": 339.4995131518304,
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"formula_full": "Sr4 Si8 O20",
"formula_reduced": "SrSi2O5",
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"spacegroup": 64
},
{
"id": "mp-1147712",
"created_at": "2022-09-04T14:40:24.466816Z",
"structure_string": "Cu4 S8\n1.0\n5.563211 0.000000 0.000000\n0.000000 5.664288 0.000000\n0.000000 0.000000 7.031274\nCu S\n4 8\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.610506 0.112397 0.073469 S\n0.110506 0.387603 0.926531 S\n0.389494 0.612397 0.426531 S\n0.889494 0.887603 0.573469 S\n0.110506 0.112397 0.426531 S\n0.610506 0.387603 0.573469 S\n0.889494 0.612397 0.073469 S\n0.389494 0.887603 0.926531 S\n",
"nsites": 12,
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"density_atomic": 0.05415971432456069,
"volume": 221.5668998563784,
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"formula_full": "Cu4 S8",
"formula_reduced": "CuS2",
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},
{
"id": "mp-865011",
"created_at": "2022-09-04T14:40:24.477862Z",
"structure_string": "Mn2 Nb1 Al1\n1.0\n0.000000 3.008959 3.008959\n3.008959 0.000000 3.008959\n3.008959 3.008959 0.000000\nMn Nb Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.499999 Mn\n0.750000 0.750000 0.750000 Nb\n0.250001 0.250001 0.250001 Al\n",
"nsites": 4,
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"elements": [
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"density": 7.002486675426129,
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"formula_full": "Mn2 Nb1 Al1",
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"spacegroup": 225
},
{
"id": "mp-557112",
"created_at": "2022-09-04T14:40:24.479227Z",
"structure_string": "Li8 Ga6 Si6 I2 O24\n1.0\n8.741057 0.000000 0.000000\n0.000000 8.741057 0.000000\n0.000000 0.000000 8.741057\nLi Ga Si I O\n8 6 6 2 24\ndirect\n0.188981 0.811019 0.811019 Li\n0.811019 0.188981 0.811019 Li\n0.688981 0.311019 0.311019 Li\n0.188981 0.188981 0.188981 Li\n0.811019 0.811019 0.188981 Li\n0.688981 0.688981 0.688981 Li\n0.311019 0.311019 0.688981 Li\n0.311019 0.688981 0.311019 Li\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.250000 0.500000 Ga\n0.750000 0.500000 0.000000 Ga\n0.000000 0.500000 0.250000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.130002 0.591310 0.851366 O\n0.091310 0.630002 0.351366 O\n0.408690 0.851366 0.869998 O\n0.408690 0.148634 0.130002 O\n0.148634 0.869998 0.591310 O\n0.591310 0.851366 0.130002 O\n0.351366 0.091310 0.630002 O\n0.908690 0.369998 0.351366 O\n0.591310 0.148634 0.869998 O\n0.369998 0.648634 0.091310 O\n0.351366 0.908690 0.369998 O\n0.091310 0.369998 0.648634 O\n0.869998 0.591310 0.148634 O\n0.648634 0.908690 0.630002 O\n0.908690 0.630002 0.648634 O\n0.869998 0.408690 0.851366 O\n0.630002 0.351366 0.091310 O\n0.648634 0.091310 0.369998 O\n0.851366 0.869998 0.408690 O\n0.369998 0.351366 0.908690 O\n0.148634 0.130002 0.408690 O\n0.130002 0.408690 0.148634 O\n0.630002 0.648634 0.908690 O\n0.851366 0.130002 0.591310 O\n",
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],
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"density": 3.182922668064786,
"density_atomic": 0.06887569194154942,
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"volume_molar": 8.74349221073615,
"formula_full": "Li8 Ga6 Si6 I2 O24",
"formula_reduced": "Li4Ga3Si3IO12",
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{
"id": "mp-1044947",
"created_at": "2022-09-04T14:40:24.529660Z",
"structure_string": "La2 Mg2 Cr2 Sb2 O12\n1.0\n5.698553 0.000000 0.000000\n0.000000 5.483686 0.000000\n0.000000 5.443299 7.962399\nLa Mg Cr Sb O\n2 2 2 2 12\ndirect\n0.302144 0.762459 0.249379 La\n0.697856 0.762459 0.749379 La\n0.803395 0.225061 0.252862 Mg\n0.196605 0.225061 0.752862 Mg\n0.244038 0.999385 0.501098 Cr\n0.755962 0.999385 0.001098 Cr\n0.245099 0.501218 0.998525 Sb\n0.754901 0.501218 0.498525 Sb\n0.817245 0.346302 0.751026 O\n0.037115 0.147540 0.060867 O\n0.034443 0.778329 0.434161 O\n0.567203 0.246223 0.066355 O\n0.560807 0.883239 0.438101 O\n0.284346 0.610240 0.747625 O\n0.182755 0.346302 0.251026 O\n0.962885 0.147540 0.560867 O\n0.965557 0.778329 0.934161 O\n0.432797 0.246223 0.566355 O\n0.439193 0.883239 0.938101 O\n0.715654 0.610240 0.247625 O\n",
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"formula_full": "La2 Mg2 Cr2 Sb2 O12",
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{
"id": "mp-1178030",
"created_at": "2022-09-04T14:40:24.826421Z",
"structure_string": "Li4 Cr6 Sb2 O16\n1.0\n-2.996220 5.189617 -0.000004\n-3.000313 -1.732243 9.810982\n3.086926 5.241985 0.034548\nLi Cr Sb O\n4 6 2 16\ndirect\n0.304180 0.565235 0.391511 Li\n0.804179 0.065227 0.391504 Li\n0.195680 0.934773 0.608499 Li\n0.695687 0.434767 0.608492 Li\n0.250242 0.750626 0.000171 Cr\n0.250410 0.249375 0.999831 Cr\n0.998729 0.499999 0.999999 Cr\n0.750258 0.250594 0.000150 Cr\n0.750412 0.749407 0.999845 Cr\n0.498763 0.000000 0.000002 Cr\n0.750248 0.749992 0.499974 Sb\n0.250230 0.250007 0.500022 Sb\n0.103398 0.632411 0.795394 O\n0.603412 0.132383 0.795367 O\n0.398777 0.867619 0.204637 O\n0.898794 0.367590 0.204606 O\n0.878127 0.858086 0.243665 O\n0.378141 0.358062 0.243639 O\n0.104716 0.631911 0.242192 O\n0.604707 0.131892 0.242196 O\n0.651410 0.631927 0.243943 O\n0.151404 0.131911 0.243955 O\n0.846900 0.868109 0.757804 O\n0.346910 0.368088 0.757805 O\n0.395362 0.868088 0.756045 O\n0.895356 0.368071 0.756051 O\n0.621778 0.641939 0.756362 O\n0.121790 0.141914 0.756336 O\n",
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{
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