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{
"id": "jvasp-101511",
"created_at": "2022-09-04T14:36:40.443213Z",
"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\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 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
"nsites": 10,
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{
"id": "jvasp-107308",
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"structure_string": "Na5 Br4 Cl1\n1.0\n4.120071 -0.002870 -14.407379\n-0.083715 4.119222 -14.407379\n0.002815 0.002870 14.984911\nNa Br Cl\n5 4 1\ndirect\n0.800144 0.800143 0.000000 Na\n0.199856 0.199856 0.000000 Na\n0.596188 0.596187 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.403813 0.403812 0.000000 Na\n0.901450 0.901449 0.000000 Br\n0.301165 0.301165 0.000000 Br\n0.698836 0.698835 0.000000 Br\n0.098551 0.098551 0.000000 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"formula_full": "Na5 Br4 Cl1",
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},
{
"id": "jvasp-106580",
"created_at": "2022-09-04T14:37:00.850033Z",
"updated_at": "2022-09-04T14:37:00.850055Z",
"structure_string": "Pm1 Mg3\n1.0\n4.492121 -0.000000 2.593527\n1.497374 4.235212 2.593527\n-0.000000 -0.000000 5.187054\nPm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 3.6668137682388218,
"density_atomic": 0.0405333614678591,
"volume": 98.68414202882721,
"volume_molar": 14.857244851935738,
"formula_full": "Pm1 Mg3",
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"spacegroup": 225
},
{
"id": "jvasp-100928",
"created_at": "2022-09-04T14:36:40.362045Z",
"updated_at": "2022-09-04T14:36:40.362068Z",
"structure_string": "Rb2 Sc1 In1 F6\n1.0\n5.629603 -0.000000 3.250253\n1.876534 5.307641 3.250253\n-0.000000 -0.000000 6.500506\nRb Sc In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 In\n0.779725 0.220275 0.220275 F\n0.220274 0.220275 0.779726 F\n0.220274 0.779725 0.779726 F\n0.220274 0.779725 0.220275 F\n0.779725 0.220275 0.779726 F\n0.779724 0.779725 0.220275 F\n",
"nsites": 10,
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"elements": [
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"Sc",
"In",
"F"
],
"chemical_system": "F-In-Rb-Sc",
"density": 3.801803678501834,
"density_atomic": 0.051484147613773804,
"volume": 194.23454526271794,
"volume_molar": 11.697077720266785,
"formula_full": "Rb2 Sc1 In1 F6",
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"spacegroup": 225
},
{
"id": "jvasp-100993",
"created_at": "2022-09-04T14:36:40.350483Z",
"updated_at": "2022-09-04T14:36:40.350509Z",
"structure_string": "Li1 Cd2 Cu1\n1.0\n3.941031 -0.000000 2.275355\n1.313677 3.715639 2.275355\n-0.000000 -0.000000 4.550710\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500001 Cu\n",
"nsites": 4,
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"elements": [
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],
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{
"id": "jvasp-14718",
"created_at": "2022-09-04T14:36:40.349467Z",
"updated_at": "2022-09-04T14:36:40.349493Z",
"structure_string": "Mg1 Au1\n1.0\n3.288942 0.000000 -0.000000\n0.000000 3.288942 0.000000\n-0.000000 0.000000 3.288942\nMg Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-55602",
"created_at": "2022-09-04T14:36:40.311686Z",
"updated_at": "2022-09-04T14:36:40.311727Z",
"structure_string": "Rb8 Cd2 Cl12\n1.0\n8.829709 0.031132 0.123925\n0.122635 8.828912 0.123925\n0.031456 0.031132 8.830523\nRb Cd Cl\n8 2 12\ndirect\n0.874909 0.250000 0.625091 Rb\n0.625091 0.874909 0.250001 Rb\n0.250000 0.625091 0.874909 Rb\n0.125091 0.750000 0.374909 Rb\n0.374909 0.125091 0.750000 Rb\n0.750000 0.374909 0.125092 Rb\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.289671 0.939231 0.070570 Cl\n0.439231 0.789672 0.570570 Cl\n0.429431 0.560768 0.210329 Cl\n0.210328 0.429431 0.560769 Cl\n0.560769 0.210328 0.429431 Cl\n0.060769 0.929431 0.710328 Cl\n0.710329 0.060768 0.929431 Cl\n0.929431 0.710328 0.060770 Cl\n0.570569 0.439231 0.789672 Cl\n0.789672 0.570569 0.439232 Cl\n0.070569 0.289672 0.939231 Cl\n0.939231 0.070569 0.289672 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Cd",
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],
"chemical_system": "Cd-Cl-Rb",
"density": 3.218319487267843,
"density_atomic": 0.03196294433891215,
"volume": 688.2970406833542,
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"formula_full": "Rb8 Cd2 Cl12",
"formula_reduced": "Rb4CdCl6",
"formula_anonymous": "AB4C6",
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"spacegroup": 167
},
{
"id": "jvasp-22532",
"created_at": "2022-09-04T14:37:00.896421Z",
"updated_at": "2022-09-04T14:37:00.896447Z",
"structure_string": "Br2 F10\n1.0\n4.874894 -0.020302 -0.000000\n-0.605147 4.837231 -0.000000\n-0.000000 0.000000 7.610269\nBr F\n2 10\ndirect\n0.829949 0.170051 0.254737 Br\n0.170049 0.829950 0.754737 Br\n0.098023 0.467556 0.244631 F\n0.901975 0.532444 0.744631 F\n0.338668 0.661332 0.590925 F\n0.661331 0.338669 0.090925 F\n0.355562 0.644437 0.910840 F\n0.644436 0.355563 0.410840 F\n0.006377 0.993623 0.564238 F\n0.993622 0.006378 0.064238 F\n0.467556 0.098024 0.744631 F\n0.532443 0.901976 0.244631 F\n",
"nsites": 12,
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"elements": [
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"density": 3.238346558946875,
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"volume": 179.36416740717524,
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},
{
"id": "jvasp-8770",
"created_at": "2022-09-04T14:37:00.901433Z",
"updated_at": "2022-09-04T14:37:00.901449Z",
"structure_string": "Cu1 I4\n1.0\n6.229173 -0.000000 0.000000\n6.229173 8.122688 0.566268\n3.114586 5.698527 4.010566\nCu I\n1 4\ndirect\n0.359180 0.499986 0.281668 Cu\n0.001451 -0.001227 -0.000448 I\n0.500372 0.001067 -0.002878 I\n0.251603 0.500087 -0.014170 I\n0.762392 0.500087 -0.014170 I\n",
"nsites": 5,
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"formula_full": "Cu1 I4",
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"spacegroup": 42
},
{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
"nsites": 10,
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"formula_full": "K1 Rb2 Tb1 Cl6",
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{
"id": "jvasp-8540",
"created_at": "2022-09-04T14:37:00.990293Z",
"updated_at": "2022-09-04T14:37:00.990324Z",
"structure_string": "In1 As1 F6\n1.0\n4.961778 -0.027800 -0.557582\n-0.620658 4.922884 -0.557582\n-0.024654 -0.027800 4.992947\nIn As F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 As\n0.695494 0.421048 0.794758 F\n0.421049 0.794757 0.695494 F\n0.205243 0.304506 0.578952 F\n0.578952 0.205243 0.304507 F\n0.304506 0.578951 0.205243 F\n0.794758 0.695493 0.421049 F\n",
"nsites": 8,
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{
"id": "jvasp-102259",
"created_at": "2022-09-04T14:36:43.467121Z",
"updated_at": "2022-09-04T14:36:43.467146Z",
"structure_string": "K2 Ag1 Ru1 F6\n1.0\n5.319744 -0.000000 3.071356\n1.773248 5.015503 3.071356\n-0.000000 -0.000000 6.142712\nK Ag Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Ru\n0.231759 0.231759 0.768241 F\n0.231760 0.768240 0.768241 F\n0.768240 0.768240 0.231761 F\n0.231760 0.768240 0.231760 F\n0.768240 0.231759 0.768241 F\n0.768240 0.231759 0.231760 F\n",
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}