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{
"id": "jvasp-97370",
"created_at": "2022-09-04T14:36:00.528500Z",
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"structure_string": "Li4 Ga4 Br16\n1.0\n6.754035 0.000000 0.000000\n0.000000 7.420347 -0.384536\n0.000000 0.036059 13.569679\nLi Ga Br\n4 4 16\ndirect\n0.510030 0.147892 0.872879 Li\n0.489971 0.852109 0.127121 Li\n0.010030 0.852109 0.627121 Li\n0.989971 0.147892 0.372879 Li\n0.678104 0.299767 0.099826 Ga\n0.821897 0.299767 0.599826 Ga\n0.178103 0.700234 0.400174 Ga\n0.321897 0.700234 0.900174 Ga\n0.671083 0.312946 0.443705 Br\n0.828918 0.312946 0.943705 Br\n0.188272 0.429204 0.303994 Br\n0.688272 0.570796 0.196006 Br\n0.811729 0.570797 0.696006 Br\n0.311728 0.429204 0.803994 Br\n0.328076 0.938276 0.313305 Br\n0.850553 0.811313 0.433263 Br\n0.671925 0.061724 0.686695 Br\n0.649448 0.811314 0.933263 Br\n0.171082 0.687055 0.056295 Br\n0.350553 0.188687 0.066737 Br\n0.149448 0.188687 0.566737 Br\n0.328918 0.687055 0.556295 Br\n0.828076 0.061724 0.186695 Br\n0.171924 0.938276 0.813305 Br\n",
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{
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"structure_string": "Ca2 In1 Pb1\n1.0\n4.741902 0.000000 2.737738\n1.580634 4.470708 2.737738\n-0.000000 -0.000000 5.475476\nCa In Pb\n2 1 1\ndirect\n0.749999 0.750000 0.750001 Ca\n0.250000 0.250000 0.250000 Ca\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-99717",
"created_at": "2022-09-04T14:36:19.461742Z",
"updated_at": "2022-09-04T14:36:19.461765Z",
"structure_string": "Rb2 Sm1 Ag1 Cl6\n1.0\n6.563433 -0.000000 3.789399\n2.187811 6.188064 3.789399\n0.000000 0.000000 7.578800\nRb Sm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ag\n0.750744 0.249255 0.249256 Cl\n0.249255 0.249255 0.750745 Cl\n0.249255 0.750744 0.750745 Cl\n0.249255 0.750744 0.249256 Cl\n0.750744 0.249255 0.750745 Cl\n0.750744 0.750744 0.249256 Cl\n",
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],
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"density_atomic": 0.03248730610659141,
"volume": 307.8125335227805,
"volume_molar": 18.536904045664027,
"formula_full": "Rb2 Sm1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-107389",
"created_at": "2022-09-04T14:36:51.563224Z",
"updated_at": "2022-09-04T14:36:51.563242Z",
"structure_string": "K1 Rb2 Co1 F6\n1.0\n5.320036 -0.000000 3.071524\n1.773345 5.015778 3.071524\n-0.000000 -0.000000 6.143049\nK Rb Co F\n1 2 1 6\ndirect\n0.500001 0.500000 0.499999 K\n0.750001 0.750000 0.749998 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Co\n0.785528 0.214473 0.214472 F\n0.785528 0.785527 0.214471 F\n0.214473 0.214473 0.785527 F\n0.214474 0.785527 0.785526 F\n0.785528 0.214473 0.785526 F\n0.214474 0.785527 0.214472 F\n",
"nsites": 10,
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"elements": [
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"density": 3.8793845878612334,
"density_atomic": 0.061004678566373496,
"volume": 163.92185378241004,
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"formula_full": "K1 Rb2 Co1 F6",
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{
"id": "jvasp-107851",
"created_at": "2022-09-04T14:36:46.198141Z",
"updated_at": "2022-09-04T14:36:46.198170Z",
"structure_string": "Rb2 Er1 Au1 Cl6\n1.0\n6.487659 -0.000000 3.745652\n2.162553 6.116623 3.745652\n-0.000000 -0.000000 7.491303\nRb Er Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Au\n0.755421 0.244579 0.244579 Cl\n0.244579 0.244579 0.755420 Cl\n0.244579 0.755420 0.755420 Cl\n0.244579 0.755420 0.244579 Cl\n0.755421 0.244579 0.755420 Cl\n0.755421 0.755420 0.244579 Cl\n",
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{
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"created_at": "2022-09-04T14:36:11.138551Z",
"updated_at": "2022-09-04T14:36:11.138564Z",
"structure_string": "Mg6 Al1 Cd1\n1.0\n6.239797 -0.022038 0.000000\n-3.138983 5.392803 0.000000\n0.000000 0.000000 5.151614\nMg Al Cd\n6 1 1\ndirect\n0.163858 0.838572 0.250000 Mg\n0.661428 0.336142 0.250000 Mg\n0.665575 0.834424 0.250000 Mg\n0.334747 0.658387 0.749999 Mg\n0.841613 0.165252 0.749999 Mg\n0.834057 0.665943 0.749999 Mg\n0.158443 0.341557 0.250000 Al\n0.340281 0.159719 0.749999 Cd\n",
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{
"id": "jvasp-3096",
"created_at": "2022-09-04T14:35:44.345948Z",
"updated_at": "2022-09-04T14:35:44.345984Z",
"structure_string": "Tl2 Sn1 F6\n1.0\n3.048547 -5.280239 0.000000\n3.048547 5.280239 0.000000\n0.000000 0.000000 4.796120\nTl Sn F\n2 1 6\ndirect\n0.666668 0.333333 0.696724 Tl\n0.333333 0.666668 0.303276 Tl\n0.000000 0.000000 0.000000 Sn\n0.841185 0.158816 0.230415 F\n0.317630 0.158815 0.230415 F\n0.841186 0.682371 0.230415 F\n0.158816 0.841185 0.769585 F\n0.682371 0.841186 0.769585 F\n0.158815 0.317630 0.769585 F\n",
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{
"id": "jvasp-86932",
"created_at": "2022-09-04T14:35:48.112659Z",
"updated_at": "2022-09-04T14:35:48.112685Z",
"structure_string": "Sr1 Zn5\n1.0\n5.557717 0.000000 0.000000\n-2.778858 4.813124 -0.000000\n0.000000 0.000000 4.260156\nSr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666666 0.000000 Zn\n",
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},
{
"id": "jvasp-92211",
"created_at": "2022-09-04T14:35:43.757335Z",
"updated_at": "2022-09-04T14:35:43.757357Z",
"structure_string": "Sr2 Cu2 Sn4\n1.0\n4.589911 -0.000000 0.000000\n0.000000 4.513996 -1.055190\n-0.000000 -0.034090 10.036970\nSr Cu Sn\n2 2 4\ndirect\n0.750000 0.392211 0.784422 Sr\n0.250000 0.607790 0.215578 Sr\n0.750000 0.175428 0.350854 Cu\n0.250000 0.824573 0.649146 Cu\n0.250000 0.249607 0.499214 Sn\n0.250000 0.956659 0.913317 Sn\n0.750000 0.750394 0.500786 Sn\n0.750000 0.043341 0.086683 Sn\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:36:15.823154Z",
"updated_at": "2022-09-04T14:36:15.823178Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
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{
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{
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