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{
"id": "jvasp-63266",
"created_at": "2022-09-04T14:35:59.084898Z",
"updated_at": "2022-09-04T14:35:59.084925Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.456921 0.000000 0.000000\n0.000000 5.841372 -0.000000\n0.000000 -0.000000 11.322587\nU Mn B\n4 4 16\ndirect\n0.000000 0.126609 0.849537 U\n0.000000 0.873391 0.150463 U\n0.000000 0.373391 0.349537 U\n0.000000 0.626608 0.650463 U\n0.000000 0.135601 0.591256 Mn\n0.000000 0.864399 0.408745 Mn\n0.000000 0.364399 0.091255 Mn\n0.000000 0.635601 0.908745 Mn\n0.500000 0.526271 0.191242 B\n0.500000 0.473729 0.808758 B\n0.500000 0.886832 0.545793 B\n0.500000 0.113168 0.454207 B\n0.500000 0.613168 0.045793 B\n0.500000 0.386832 0.954207 B\n0.500000 0.864263 0.966785 B\n0.500000 0.784122 0.813058 B\n0.500000 0.635737 0.466785 B\n0.500000 0.364263 0.533215 B\n0.500000 0.026271 0.308758 B\n0.500000 0.215878 0.186942 B\n0.500000 0.715878 0.313058 B\n0.500000 0.284122 0.686942 B\n0.500000 0.135737 0.033215 B\n0.500000 0.973729 0.691242 B\n",
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{
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"structure_string": "Be1 Tl1 Se1\n1.0\n-1.659682 1.659682 6.227450\n1.659682 -1.659682 6.227450\n1.659682 1.659682 -6.227450\nBe Tl Se\n1 1 1\ndirect\n0.923645 0.923645 0.000000 Be\n0.662734 0.662734 0.000000 Tl\n0.413619 0.413619 0.000000 Se\n",
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{
"id": "jvasp-88753",
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"updated_at": "2022-09-04T14:35:59.109490Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
"nsites": 20,
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"elements": [
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"density": 6.042067524721839,
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"volume": 549.5935924058994,
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"formula_full": "Tl4 Fe4 Br12",
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"spacegroup": 62
},
{
"id": "jvasp-74802",
"created_at": "2022-09-04T14:35:57.763175Z",
"updated_at": "2022-09-04T14:35:57.763205Z",
"structure_string": "Zr1 Be2 Ga1\n1.0\n-1.941155 1.941155 3.836103\n1.941155 -1.941155 3.836103\n1.941155 1.941155 -3.836103\nZr Be Ga\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Ga\n",
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"volume": 57.819013920966015,
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{
"id": "jvasp-91509",
"created_at": "2022-09-04T14:35:57.767326Z",
"updated_at": "2022-09-04T14:35:57.767347Z",
"structure_string": "V8 Cd4 O24\n1.0\n4.926935 -0.000000 0.000000\n0.000000 5.814406 0.000000\n0.000000 0.000000 14.295457\nV Cd O\n8 4 24\ndirect\n0.231645 0.186542 0.667140 V\n0.231645 0.686542 0.832860 V\n0.731644 0.313457 0.832860 V\n0.268355 0.186542 0.332860 V\n0.268355 0.686542 0.167140 V\n0.768354 0.313457 0.167140 V\n0.731644 0.813459 0.667140 V\n0.768354 0.813459 0.332860 V\n0.749999 0.783992 0.000000 Cd\n0.250000 0.716009 0.500000 Cd\n0.250000 0.216009 0.000000 Cd\n0.749999 0.283991 0.500000 Cd\n0.902240 0.149330 0.746537 O\n0.402241 0.350670 0.753463 O\n0.617090 0.617360 0.590291 O\n0.882908 0.117359 0.090291 O\n0.097759 0.850670 0.253463 O\n0.402241 0.850670 0.746537 O\n0.617090 0.117359 0.909709 O\n0.975115 0.578844 0.106190 O\n0.524884 0.578844 0.893811 O\n0.024884 0.421157 0.893811 O\n0.475115 0.921157 0.393810 O\n0.524884 0.078843 0.606190 O\n0.117091 0.382641 0.590291 O\n0.097759 0.350670 0.246537 O\n0.975115 0.078843 0.393810 O\n0.117091 0.882642 0.909709 O\n0.597758 0.649331 0.246537 O\n0.024884 0.921157 0.606190 O\n0.475115 0.421157 0.106190 O\n0.382909 0.382641 0.409709 O\n0.382909 0.882642 0.090291 O\n0.902240 0.649331 0.753463 O\n0.882908 0.617360 0.409709 O\n0.597758 0.149330 0.253463 O\n",
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"elements": [
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"O"
],
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"formula_full": "V8 Cd4 O24",
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"spacegroup": 60
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{
"id": "jvasp-90156",
"created_at": "2022-09-04T14:35:57.772860Z",
"updated_at": "2022-09-04T14:35:57.772879Z",
"structure_string": "Pd1 N2 Cl6\n1.0\n-4.643423 -4.643423 -0.000000\n-4.643423 -0.000000 -4.643423\n-0.000000 -4.643423 -4.643423\nPd N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 N\n0.749999 0.749999 0.749999 N\n0.750162 0.249837 0.249837 Cl\n0.750162 0.249837 0.750162 Cl\n0.750162 0.750162 0.249837 Cl\n0.249837 0.750162 0.750162 Cl\n0.249837 0.750162 0.249837 Cl\n0.249837 0.249837 0.750162 Cl\n",
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{
"id": "jvasp-67277",
"created_at": "2022-09-04T14:35:57.783259Z",
"updated_at": "2022-09-04T14:35:57.783293Z",
"structure_string": "Hf1 Be1 V1\n1.0\n-1.579802 1.579802 4.407528\n1.579802 -1.579802 4.407528\n1.579802 1.579802 -4.407528\nHf Be V\n1 1 1\ndirect\n0.334986 0.334986 0.000000 Hf\n0.022251 0.022251 0.000000 Be\n0.642764 0.642764 0.000000 V\n",
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{
"id": "jvasp-74367",
"created_at": "2022-09-04T14:35:57.794576Z",
"updated_at": "2022-09-04T14:35:57.794595Z",
"structure_string": "Hf2 Be1 Zn1\n1.0\n-2.272337 2.272337 3.213455\n2.272337 -2.272337 3.213455\n2.272337 2.272337 -3.213455\nHf Be Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.499999 0.499999 0.000000 Hf\n0.750000 0.250000 0.500001 Be\n0.250000 0.750000 0.500001 Zn\n",
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{
"id": "jvasp-97814",
"created_at": "2022-09-04T14:35:57.803261Z",
"updated_at": "2022-09-04T14:35:57.803277Z",
"structure_string": "Sn8 B4 F28\n1.0\n5.382598 0.000000 -0.003402\n0.000000 8.250981 0.000000\n0.009459 0.000000 13.995065\nSn B F\n8 4 28\ndirect\n0.249990 0.016769 0.190453 Sn\n0.750011 0.983231 0.809547 Sn\n0.749990 0.483231 0.690453 Sn\n0.750014 0.708684 0.052061 Sn\n0.749987 0.208684 0.447939 Sn\n0.249987 0.291316 0.947939 Sn\n0.250014 0.791316 0.552061 Sn\n0.250010 0.516769 0.309547 Sn\n0.750014 0.803301 0.375833 B\n0.749987 0.303302 0.124167 B\n0.249987 0.196698 0.624167 B\n0.250014 0.696698 0.875833 B\n0.499051 0.825098 0.149222 F\n0.749987 0.781963 0.476862 F\n0.750014 0.281963 0.023138 F\n0.250013 0.218037 0.523138 F\n0.966822 0.891566 0.350944 F\n0.533179 0.391566 0.149056 F\n0.033179 0.108434 0.649056 F\n0.466822 0.608434 0.850944 F\n0.250004 0.849267 0.829922 F\n0.249997 0.349267 0.670078 F\n0.749997 0.150733 0.170078 F\n0.000949 0.325098 0.350778 F\n0.750004 0.650733 0.329922 F\n0.033241 0.608407 0.850935 F\n0.533241 0.891593 0.350935 F\n0.966759 0.391593 0.149065 F\n0.249987 0.718037 0.976862 F\n0.499053 0.325086 0.350771 F\n-0.000947 0.174914 0.850770 F\n0.500947 0.674913 0.649229 F\n0.249983 0.081228 0.038459 F\n0.250018 0.581228 0.461541 F\n0.750018 0.918772 0.961541 F\n0.749983 0.418772 0.538458 F\n0.500949 0.174902 0.850778 F\n0.999052 0.674902 0.649222 F\n0.466759 0.108407 0.649065 F\n0.000947 0.825086 0.149229 F\n",
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{
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"structure_string": "Be2 V1 Zn1\n1.0\n-1.882025 1.882025 3.230481\n1.882025 -1.882025 3.230481\n1.882025 1.882025 -3.230481\nBe V Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 V\n0.750001 0.250000 0.500001 Zn\n",
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{
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"created_at": "2022-09-04T14:35:57.808540Z",
"updated_at": "2022-09-04T14:35:57.808564Z",
"structure_string": "Li2 Sb1 Au1\n1.0\n4.041034 0.000000 2.333091\n1.347011 3.809923 2.333091\n0.000000 0.000000 4.666183\nLi Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.749999 0.749999 0.750000 Au\n",
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{
"id": "jvasp-1717",
"created_at": "2022-09-04T14:35:57.812593Z",
"updated_at": "2022-09-04T14:35:57.812610Z",
"structure_string": "Rb1 Tb1 Se2\n1.0\n4.092725 0.004574 7.204406\n1.907029 3.621279 7.204406\n0.007569 0.004574 8.285760\nTb Rb Se\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Tb\n0.000000 0.000000 0.000000 Rb\n0.232839 0.232838 0.232838 Se\n0.767164 0.767160 0.767162 Se\n",
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"formula_full": "Rb1 Tb1 Se2",
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}
]
}