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{
"id": "jvasp-107422",
"created_at": "2022-09-04T14:36:59.421502Z",
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"structure_string": "Rb3 As1 Cl6\n1.0\n6.745580 -0.000000 3.894562\n2.248527 6.359794 3.894562\n-0.000000 -0.000000 7.789125\nRb As Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.772960 0.227040 0.227040 Cl\n0.227040 0.227040 0.772959 Cl\n0.227041 0.772959 0.772959 Cl\n0.227041 0.772959 0.227040 Cl\n0.772960 0.227040 0.772959 Cl\n0.772960 0.772959 0.227039 Cl\n",
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{
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"structure_string": "Rb3 As1 Br6\n1.0\n7.104231 -0.000000 4.101630\n2.368077 6.697933 4.101630\n-0.000000 -0.000000 8.203260\nRb As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.771124 0.228875 0.228876 Br\n0.228876 0.228875 0.771125 Br\n0.228876 0.771124 0.771125 Br\n0.228876 0.771124 0.228876 Br\n0.771124 0.228875 0.771125 Br\n0.771125 0.771124 0.228876 Br\n",
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{
"id": "jvasp-116341",
"created_at": "2022-09-04T14:38:41.294673Z",
"updated_at": "2022-09-04T14:38:41.294703Z",
"structure_string": "Rb1 Al1 Sb1\n1.0\n3.286502 0.000000 0.000000\n0.000000 3.286502 -0.000000\n0.000000 0.000000 9.549313\nRb Al Sb\n1 1 1\ndirect\n0.000000 0.000000 0.633878 Rb\n0.000000 0.000000 0.279710 Al\n0.000000 0.000000 -0.004633 Sb\n",
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"elements": [
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"density_atomic": 0.02908582081972733,
"volume": 103.14304067930114,
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"formula_full": "Rb1 Al1 Sb1",
"formula_reduced": "RbAlSb",
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{
"id": "jvasp-45389",
"created_at": "2022-09-04T14:37:00.990812Z",
"updated_at": "2022-09-04T14:37:00.990832Z",
"structure_string": "Rb12 Al2 Sb6\n1.0\n0.000000 10.616288 0.011612\n6.230563 0.000000 0.000000\n0.000000 -2.308118 -12.161553\nRb Al Sb\n12 2 6\ndirect\n0.120172 0.750000 0.672991 Rb\n0.904927 0.250000 0.633994 Rb\n0.095073 0.750000 0.366006 Rb\n0.755047 0.750000 0.784560 Rb\n0.541051 0.250000 0.077636 Rb\n0.458949 0.750000 0.922364 Rb\n0.244953 0.250000 0.215440 Rb\n0.447732 0.750000 0.549158 Rb\n0.867699 0.250000 0.980646 Rb\n0.132301 0.750000 0.019354 Rb\n0.879828 0.250000 0.327009 Rb\n0.552268 0.250000 0.450842 Rb\n0.676581 0.750000 0.280234 Al\n0.323419 0.250000 0.719765 Al\n0.821612 0.750000 0.122762 Sb\n0.424640 0.750000 0.228130 Sb\n0.575360 0.250000 0.771870 Sb\n0.788804 0.750000 0.489772 Sb\n0.211196 0.250000 0.510228 Sb\n0.178388 0.250000 0.877238 Sb\n",
"nsites": 20,
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"elements": [
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"formula_full": "Rb12 Al2 Sb6",
"formula_reduced": "Rb6AlSb3",
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},
{
"id": "jvasp-11366",
"created_at": "2022-09-04T14:37:03.751567Z",
"updated_at": "2022-09-04T14:37:03.751594Z",
"structure_string": "Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n",
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"density": 4.008799826596408,
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"volume": 274.5333623330462,
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"formula_full": "Rb6 Al2 O6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-113678",
"created_at": "2022-09-04T14:38:48.722921Z",
"updated_at": "2022-09-04T14:38:48.722949Z",
"structure_string": "Rb1 Al1 O1\n1.0\n4.681483 0.000000 0.000000\n0.000000 4.681483 -0.000000\n0.000000 -0.000000 7.780251\nRb Al O\n1 1 1\ndirect\n0.000000 0.000000 0.702499 Rb\n0.000000 0.000000 0.230278 Al\n0.000000 0.000000 0.017315 O\n",
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"formula_full": "Rb1 Al1 O1",
"formula_reduced": "RbAlO",
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},
{
"id": "jvasp-113677",
"created_at": "2022-09-04T14:38:48.716724Z",
"updated_at": "2022-09-04T14:38:48.716745Z",
"structure_string": "Rb1 Al1 O2\n1.0\n2.944763 0.000000 -0.000000\n0.000000 2.944763 -0.000000\n-0.000000 0.000000 6.822037\nRb Al O\n1 1 2\ndirect\n0.500000 0.500000 0.560297 Rb\n0.000000 0.000000 0.095989 Al\n0.000000 0.000000 0.339778 O\n0.500000 0.500000 0.012499 O\n",
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},
{
"id": "jvasp-113681",
"created_at": "2022-09-04T14:38:43.368677Z",
"updated_at": "2022-09-04T14:38:43.368702Z",
"structure_string": "Rb1 Al1 O2\n1.0\n1.510380 0.872019 6.267762\n-1.510380 0.872019 6.267762\n0.000000 -1.744037 6.267762\nRb Al O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n0.781361 0.781361 0.781361 O\n0.218638 0.218638 0.218638 O\n",
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},
{
"id": "jvasp-38346",
"created_at": "2022-09-04T14:35:45.820346Z",
"updated_at": "2022-09-04T14:35:45.820368Z",
"structure_string": "Rb1 Al1 O3\n1.0\n3.927022 0.000000 -0.000000\n-0.000000 3.927022 0.000000\n-0.000000 0.000000 3.927022\nRb Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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},
{
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"updated_at": "2022-09-04T14:35:54.066125Z",
"structure_string": "Rb2 Al2 O4\n1.0\n4.952209 0.000000 2.859160\n1.650736 4.668988 2.859160\n-0.000000 -0.000000 5.718318\nRb Al O\n2 2 4\ndirect\n0.625001 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.875001 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Al\n0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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},
{
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"updated_at": "2022-09-04T14:38:50.868241Z",
"structure_string": "Rb2 Al1 O2\n1.0\n-2.049188 2.049188 6.912616\n2.049188 -2.049188 6.912616\n2.049188 2.049188 -6.912616\nRb Al O\n2 1 2\ndirect\n0.333529 0.333529 0.000000 Rb\n0.666471 0.666471 0.000000 Rb\n0.000000 0.000000 0.000000 Al\n0.877001 0.877001 0.000000 O\n0.123000 0.123000 0.000000 O\n",
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{
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"structure_string": "Rb1 Al1 O1\n1.0\n7.524084 1.036977 0.000000\n1.616703 3.831676 0.000000\n0.000000 0.000000 3.943947\nRb Al O\n1 1 1\ndirect\n-0.108313 -0.003202 0.000000 Rb\n0.391167 0.003168 0.000000 Al\n0.136310 0.268293 0.000000 O\n",
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}