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{
"id": "jvasp-81664",
"created_at": "2022-09-04T14:37:07.915629Z",
"updated_at": "2022-09-04T14:37:07.915644Z",
"structure_string": "Sr2 Li1 Mg1\n1.0\n-11.753085 0.000001 -6.785648\n-7.724919 0.293945 -0.191343\n-6.631235 3.387350 -2.085659\nSr Li Mg\n2 1 1\ndirect\n0.760949 0.000000 -0.000000 Sr\n0.239052 0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Mg\n",
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{
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"structure_string": "Sr2 Li1 Ir1\n1.0\n-15.249236 -0.000002 -8.804152\n-8.903466 -0.439784 -2.187048\n-7.843585 2.558011 -4.022815\nSr Li Ir\n2 1 1\ndirect\n0.654372 0.000001 0.000001 Sr\n0.345628 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000001 0.000000 Ir\n",
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{
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"structure_string": "Sr2 Li1 In1\n1.0\n0.000000 4.059705 4.059705\n4.059705 0.000000 4.059705\n4.059705 4.059705 -0.000000\nSr Li In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Sr\n0.749999 0.749999 0.749999 Li\n0.249999 0.249999 0.249999 In\n",
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"elements": [
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"spacegroup": 225
},
{
"id": "jvasp-100504",
"created_at": "2022-09-04T14:36:37.028802Z",
"updated_at": "2022-09-04T14:36:37.028813Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n4.839149 -0.000000 2.793884\n1.613050 4.562394 2.793884\n0.000000 0.000000 5.587768\nSr Li Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 4,
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"elements": [
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"volume": 123.36732505858897,
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"spacegroup": 225
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{
"id": "jvasp-99641",
"created_at": "2022-09-04T14:36:37.443240Z",
"updated_at": "2022-09-04T14:36:37.443263Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n4.970901 -0.000000 2.869951\n1.656967 4.686610 2.869951\n-0.000000 -0.000000 5.739902\nSr Li Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n",
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"elements": [
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"density": 3.6582353331908117,
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"volume": 133.7206276123165,
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"formula_full": "Sr2 Li1 Cd1",
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"spacegroup": 225
},
{
"id": "jvasp-104619",
"created_at": "2022-09-04T14:37:09.872459Z",
"updated_at": "2022-09-04T14:37:09.872478Z",
"structure_string": "Sr2 La6\n1.0\n7.738227 -0.000000 0.000000\n-3.869113 6.701502 0.000000\n0.000000 -0.000000 6.103674\nSr La\n2 6\ndirect\n0.333334 0.666666 0.749999 Sr\n0.666667 0.333333 0.250000 Sr\n0.160803 0.321606 0.250000 La\n0.678394 0.839197 0.250000 La\n0.160803 0.839197 0.250000 La\n0.839198 0.678393 0.749999 La\n0.321607 0.160803 0.749999 La\n0.839198 0.160803 0.749999 La\n",
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"elements": [
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"density_atomic": 0.025274643595450386,
"volume": 316.52276202383547,
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"formula_full": "Sr2 La6",
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"spacegroup": 194
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{
"id": "jvasp-116765",
"created_at": "2022-09-04T14:38:52.841260Z",
"updated_at": "2022-09-04T14:38:52.841296Z",
"structure_string": "Sr2 La4 Mn4 O14\n1.0\n5.358649 -0.000211 -1.453666\n-0.000220 5.485541 0.000026\n-0.018072 0.000043 10.535704\nSr La Mn O\n2 4 4 14\ndirect\n0.676733 0.000087 0.364817 Sr\n0.188134 0.500021 0.364896 Sr\n0.505243 -0.000081 0.007019 La\n0.002622 0.499980 0.007304 La\n0.827923 0.499933 0.633846 La\n0.305276 0.000139 0.633805 La\n0.901437 -0.000026 0.806677 Mn\n0.096075 -0.000025 0.197086 Mn\n0.405073 0.500010 0.806681 Mn\n0.601252 0.500035 0.197072 Mn\n0.335808 0.249855 0.171093 O\n0.849307 0.750115 0.198582 O\n0.643072 0.250011 0.786303 O\n0.162717 0.749872 0.825822 O\n0.163061 0.249902 0.826099 O\n0.642719 0.750171 0.785995 O\n0.255478 0.499593 0.606248 O\n0.948448 -0.000355 0.995388 O\n0.232147 -0.000001 0.407024 O\n0.674833 0.499979 0.407045 O\n0.335623 0.749907 0.171203 O\n0.850471 0.000323 0.606227 O\n0.547082 0.500399 0.995369 O\n0.849469 0.250148 0.198394 O\n",
"nsites": 24,
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"elements": [
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"density": 6.300934766148031,
"density_atomic": 0.07753093802275901,
"volume": 309.5538453688624,
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"formula_full": "Sr2 La4 Mn4 O14",
"formula_reduced": "SrLa2Mn2O7",
"formula_anonymous": "AB2C2D7",
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{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
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"elements": [
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],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.999235150325747,
"density_atomic": 0.08066195805317093,
"volume": 247.94835735101242,
"volume_molar": 7.465899545892888,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.058627186,
"spacegroup": 7
},
{
"id": "jvasp-119142",
"created_at": "2022-09-04T14:38:35.432877Z",
"updated_at": "2022-09-04T14:38:35.432902Z",
"structure_string": "Sr2 La2 Ga6 O14\n1.0\n8.089927 0.014992 0.000000\n-0.001758 8.089940 0.000000\n-0.000000 -0.000000 5.363498\nSr La Ga O\n2 2 6 14\ndirect\n0.161691 0.838309 0.491631 Sr\n0.838309 0.161691 0.491631 Sr\n0.663457 0.663457 0.506860 La\n0.336543 0.336543 0.506860 La\n0.500000 -0.000000 0.000665 Ga\n-0.000000 0.500000 0.000665 Ga\n0.356301 0.643699 0.032576 Ga\n0.855771 0.855770 0.966317 Ga\n0.643699 0.356301 0.032576 Ga\n0.144229 0.144229 0.966317 Ga\n0.165513 0.580606 0.206714 O\n0.659763 0.908518 0.791362 O\n0.834487 0.419394 0.206714 O\n0.340237 0.091481 0.791362 O\n0.091481 0.340237 0.791362 O\n0.580606 0.165513 0.206714 O\n0.851886 0.851886 0.304888 O\n0.419394 0.834486 0.206714 O\n0.148114 0.148114 0.304888 O\n0.631355 0.368645 0.693219 O\n0.000000 0.000000 0.815079 O\n0.368645 0.631355 0.693219 O\n0.908519 0.659763 0.791362 O\n0.500000 0.500000 0.200312 O\n",
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"density_atomic": 0.06837117450484889,
"volume": 351.02512387435905,
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"formula_full": "Sr2 La2 Ga6 O14",
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"formula_anonymous": "ABC3D7",
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{
"id": "jvasp-112634",
"created_at": "2022-09-04T14:38:40.937948Z",
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"structure_string": "Sr2 La2 Al6 O14\n1.0\n7.925481 -0.014855 0.000000\n-0.038241 7.925403 0.000000\n-0.000000 -0.000000 5.245732\nSr La Al O\n2 2 6 14\ndirect\n0.661025 0.661025 0.491524 Sr\n0.338975 0.338975 0.491524 Sr\n0.836354 0.163646 0.507964 La\n0.163646 0.836354 0.507964 La\n0.856912 0.856912 0.037804 Al\n0.643296 0.356704 0.962447 Al\n0.143088 0.143088 0.037804 Al\n0.356704 0.643296 0.962447 Al\n0.500000 0.000000 0.000116 Al\n0.000000 0.500000 0.000116 Al\n0.350387 0.649613 0.294148 O\n0.133241 0.133241 0.704731 O\n0.649613 0.350387 0.294148 O\n0.866759 0.866760 0.704731 O\n0.917875 0.665910 0.188086 O\n0.589733 0.162392 0.807768 O\n0.837609 0.410268 0.807768 O\n0.410267 0.837609 0.807768 O\n0.162391 0.589733 0.807768 O\n0.334090 0.082125 0.188086 O\n0.500000 0.500000 0.836311 O\n0.665910 0.917875 0.188086 O\n0.082125 0.334090 0.188086 O\n0.000000 0.000000 0.182799 O\n",
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],
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"volume": 329.4952479407551,
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"formula_full": "Sr2 La2 Al6 O14",
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"spacegroup": 35
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{
"id": "jvasp-102603",
"created_at": "2022-09-04T14:37:11.626016Z",
"updated_at": "2022-09-04T14:37:11.626042Z",
"structure_string": "Sr2 La1 Ta1 O6\n1.0\n5.286176 -0.000000 3.051975\n1.762059 4.983855 3.051975\n-0.000000 -0.000000 6.103950\nSr La Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.749999 0.750001 Sr\n0.500001 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Ta\n0.769299 0.230702 0.230702 O\n0.230703 0.769297 0.769299 O\n0.230703 0.769297 0.230703 O\n0.769299 0.230702 0.769299 O\n0.230702 0.230702 0.769298 O\n0.769299 0.769297 0.230703 O\n",
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],
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"density_atomic": 0.062184481204053184,
"volume": 160.8118264617475,
"volume_molar": 9.684314548253361,
"formula_full": "Sr2 La1 Ta1 O6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:36:31.153443Z",
"updated_at": "2022-09-04T14:36:31.153471Z",
"structure_string": "Sr2 La1 Sb1 O6\n1.0\n5.269764 -0.000000 3.042500\n1.756588 4.968381 3.042500\n-0.000000 -0.000000 6.085000\nSr La Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.768396 0.231603 0.231603 O\n0.231603 0.768397 0.768397 O\n0.231603 0.768397 0.231603 O\n0.768396 0.231603 0.768397 O\n0.231603 0.231603 0.768397 O\n0.768397 0.768397 0.231603 O\n",
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],
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"volume": 159.31865859573116,
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"formula_full": "Sr2 La1 Sb1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
]
}