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{
"id": "jvasp-95284",
"created_at": "2022-09-04T14:36:00.437065Z",
"updated_at": "2022-09-04T14:36:00.437094Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
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{
"id": "jvasp-11397",
"created_at": "2022-09-04T14:38:35.254123Z",
"updated_at": "2022-09-04T14:38:35.254158Z",
"structure_string": "Sr4 Mg4 Ge4\n1.0\n4.601851 -0.000000 0.000000\n0.000000 7.823501 0.000000\n0.000000 0.000000 8.586106\nSr Mg Ge\n4 4 4\ndirect\n0.250000 0.015747 0.183137 Sr\n0.250000 0.515747 0.316863 Sr\n0.750000 0.484253 0.683137 Sr\n0.750000 0.984253 0.816863 Sr\n0.750000 0.357146 0.063144 Mg\n0.250000 0.642854 0.936856 Mg\n0.750000 0.857146 0.436856 Mg\n0.250000 0.142854 0.563145 Mg\n0.750000 0.221189 0.390249 Ge\n0.250000 0.278811 0.890249 Ge\n0.250000 0.778810 0.609751 Ge\n0.750000 0.721189 0.109751 Ge\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ge-Mg-Sr",
"density": 3.9657788727230465,
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"volume": 309.1220188145191,
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"formula_full": "Sr4 Mg4 Ge4",
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"spacegroup": 62
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{
"id": "jvasp-90780",
"created_at": "2022-09-04T14:35:53.678863Z",
"updated_at": "2022-09-04T14:35:53.678891Z",
"structure_string": "Sr4 Mg4\n1.0\n7.843961 0.000000 0.000000\n0.000000 7.843961 -0.000000\n-0.000000 0.000000 7.843961\nSr Mg\n4 4\ndirect\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"volume": 482.6210688044801,
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"formula_full": "Sr4 Mg4",
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{
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"created_at": "2022-09-04T14:36:06.411103Z",
"updated_at": "2022-09-04T14:36:06.411121Z",
"structure_string": "Sr4 Mg4\n1.0\n12.962680 0.000000 0.781972\n0.000000 3.941254 0.000000\n-2.527937 0.000000 5.517353\nSr Mg\n4 4\ndirect\n0.897565 0.499999 0.672120 Sr\n0.602434 0.000000 0.327879 Sr\n0.397565 0.000000 0.672120 Sr\n0.102435 0.499999 0.327879 Sr\n0.653314 0.499999 0.867508 Mg\n0.846686 0.000000 0.132491 Mg\n0.153314 0.000000 0.867508 Mg\n0.346686 0.499999 0.132491 Mg\n",
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{
"id": "jvasp-92314",
"created_at": "2022-09-04T14:36:08.955426Z",
"updated_at": "2022-09-04T14:36:08.955455Z",
"structure_string": "Sr4 Mg4\n1.0\n6.986426 -0.000000 -0.000000\n0.000000 6.986426 -0.000000\n0.000000 -0.000000 6.986426\nSr Mg\n4 4\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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"elements": [
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{
"id": "jvasp-39640",
"created_at": "2022-09-04T14:38:00.400893Z",
"updated_at": "2022-09-04T14:38:00.400917Z",
"structure_string": "Sr4 Mg2 U2 O12\n1.0\n0.000000 5.816935 0.005274\n5.850154 0.000000 0.000000\n0.000000 -5.779924 -8.226370\nSr Mg U O\n4 2 2 12\ndirect\n0.741207 0.533188 0.248602 Sr\n0.258793 0.033188 0.251399 Sr\n0.741207 0.966811 0.748602 Sr\n0.258794 0.466811 0.751399 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.173091 0.018680 0.748645 O\n0.252969 0.716007 0.540919 O\n0.323280 0.211984 0.538263 O\n0.676721 0.788016 0.461738 O\n0.747032 0.283993 0.459082 O\n0.323279 0.288016 0.038263 O\n0.173091 0.481320 0.248645 O\n0.252968 0.783992 0.040919 O\n0.826910 0.518679 0.751356 O\n0.747032 0.216007 0.959082 O\n0.826910 0.981320 0.251356 O\n0.676721 0.711983 0.961738 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Mg-O-Sr-U",
"density": 6.333995448828878,
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"volume": 279.76475565567137,
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"formula_full": "Sr4 Mg2 U2 O12",
"formula_reduced": "Sr2MgUO6",
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{
"id": "jvasp-94375",
"created_at": "2022-09-04T14:36:05.652214Z",
"updated_at": "2022-09-04T14:36:05.652238Z",
"structure_string": "Sr4 Mg2\n1.0\n4.116028 -0.000000 0.000000\n-2.058013 3.564584 -0.000000\n-0.000000 -0.000000 17.980906\nSr Mg\n4 2\ndirect\n0.333333 0.666666 0.790798 Sr\n0.666667 0.333333 0.596503 Sr\n0.333333 0.666666 0.403497 Sr\n0.666667 0.333333 0.209202 Sr\n0.666667 0.333333 0.942656 Mg\n0.333333 0.666666 0.057345 Mg\n",
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},
{
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"created_at": "2022-09-04T14:36:05.956716Z",
"updated_at": "2022-09-04T14:36:05.956748Z",
"structure_string": "Sr4 Mg2\n1.0\n6.886301 0.000000 0.000000\n-3.443150 5.963712 0.000000\n0.000000 0.000000 6.126896\nSr Mg\n4 2\ndirect\n0.643504 -0.000000 0.500000 Sr\n0.356496 0.356496 0.500000 Sr\n-0.000000 0.643504 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
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{
"id": "jvasp-94365",
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"updated_at": "2022-09-04T14:36:13.817875Z",
"structure_string": "Sr4 Mg2\n1.0\n4.145157 -0.000000 0.000000\n-2.072578 3.589810 -0.000000\n-0.000000 0.000000 17.812764\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.901992 Sr\n0.333333 0.666667 0.598007 Sr\n0.666667 0.333333 0.401992 Sr\n0.666667 0.333333 0.098007 Sr\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
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{
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"structure_string": "Sr4 Mg2\n1.0\n6.807324 0.174402 -1.656874\n-4.171592 5.382183 -1.656874\n-0.082726 -0.174402 7.005573\nSr Mg\n4 2\ndirect\n0.665716 0.834283 0.500000 Sr\n0.334283 0.165716 0.500000 Sr\n0.165716 0.665716 0.831433 Sr\n0.834283 0.334283 0.168567 Sr\n0.250000 0.250000 0.000000 Mg\n0.749999 0.749999 0.000001 Mg\n",
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{
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"structure_string": "Sr4 Mg2\n1.0\n4.140224 -0.000000 -0.000000\n-2.070111 3.585538 -0.000000\n-0.000000 -0.000000 17.827854\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.804718 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.195282 Sr\n0.333333 0.666667 0.652701 Mg\n0.333333 0.666667 0.347299 Mg\n",
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{
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"created_at": "2022-09-04T14:37:08.645962Z",
"updated_at": "2022-09-04T14:37:08.645974Z",
"structure_string": "Sr4 Mg1 Fe2 S2 O6\n1.0\n3.869783 0.000000 -0.000000\n0.000000 3.869783 0.000000\n0.000000 -0.000000 16.175055\nSr Mg Fe S O\n4 1 2 2 6\ndirect\n0.500000 0.000000 0.191591 Sr\n0.000000 0.500000 0.808409 Sr\n0.500000 0.000000 0.414415 Sr\n0.000000 0.500000 0.585585 Sr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.312120 Fe\n0.500000 0.000000 0.687881 Fe\n0.000000 0.500000 0.096422 S\n0.500000 0.000000 0.903578 S\n0.000000 0.000000 0.294762 O\n0.500000 0.500000 0.293379 O\n0.500000 0.500000 0.706621 O\n0.000000 0.000000 0.705238 O\n0.000000 0.500000 0.432434 O\n0.500000 0.000000 0.567566 O\n",
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"formula_full": "Sr4 Mg1 Fe2 S2 O6",
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]
}