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{
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"results": [
{
"id": "jvasp-115687",
"created_at": "2022-09-04T14:38:48.299562Z",
"updated_at": "2022-09-04T14:38:48.299593Z",
"structure_string": "Rb1 Br1 Cl1\n1.0\n6.262099 2.184023 0.000000\n1.980196 5.878709 0.000000\n0.000000 0.000000 4.572970\nRb Br Cl\n1 1 1\ndirect\n-0.023932 -0.050365 0.000000 Rb\n0.477053 -0.051796 0.000000 Br\n-0.022605 0.448611 0.000000 Cl\n",
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{
"id": "jvasp-117538",
"created_at": "2022-09-04T14:38:51.241567Z",
"updated_at": "2022-09-04T14:38:51.241596Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.510890 0.000000 0.000000\n-0.000000 4.510890 -0.000000\n0.000000 0.000000 7.490665\nBa Br F\n2 2 2\ndirect\n0.500000 0.000000 0.806423 Ba\n0.000000 0.500000 0.193577 Ba\n0.000000 0.500000 0.648065 Br\n0.500000 0.000000 0.351935 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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{
"id": "jvasp-113667",
"created_at": "2022-09-04T14:38:48.214282Z",
"updated_at": "2022-09-04T14:38:48.214310Z",
"structure_string": "Li2 Br2\n1.0\n3.865781 0.000000 -0.000000\n0.000000 3.865781 0.000000\n-0.000000 0.000000 5.474660\nLi Br\n2 2\ndirect\n0.000000 0.000000 0.249904 Li\n0.500000 0.500000 0.750096 Li\n0.000000 0.000000 0.750030 Br\n0.500000 0.500000 0.249970 Br\n",
"nsites": 4,
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"elements": [
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"volume": 81.81475745195489,
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"formula_full": "Li2 Br2",
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"spacegroup": 225
},
{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
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"elements": [
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"Pb"
],
"chemical_system": "Pb-Pr-Zn",
"density": 7.826812310032864,
"density_atomic": 0.046206551598608314,
"volume": 346.2712417708726,
"volume_molar": 13.033088494276166,
"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-118239",
"created_at": "2022-09-04T14:38:52.609820Z",
"updated_at": "2022-09-04T14:38:52.609841Z",
"structure_string": "Pb1 I1 F2\n1.0\n3.547315 -0.000000 -0.000000\n-0.000000 3.547315 -0.000000\n0.000000 0.000000 7.014535\nPb I F\n1 1 2\ndirect\n0.500000 0.500000 0.522278 Pb\n0.000000 0.000000 0.092018 I\n0.000000 0.000000 0.573545 F\n0.500000 0.500000 0.822161 F\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "F-I-Pb",
"density": 7.00022275550655,
"density_atomic": 0.0453170461627407,
"volume": 88.2670063188886,
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"formula_full": "Pb1 I1 F2",
"formula_reduced": "PbIF2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118276",
"created_at": "2022-09-04T14:38:52.615001Z",
"updated_at": "2022-09-04T14:38:52.615040Z",
"structure_string": "Rb1 In1 F2\n1.0\n3.777157 0.000000 0.000000\n-0.000000 3.777157 -0.000000\n-0.000000 0.000000 5.942293\nRb In F\n1 1 2\ndirect\n0.500000 0.500000 0.534512 Rb\n0.000000 0.000000 0.014235 In\n0.000000 0.000000 0.390269 F\n0.500000 0.500000 0.070983 F\n",
"nsites": 4,
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"density": 4.667209582759783,
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"volume": 84.77818915183613,
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},
{
"id": "jvasp-119086",
"created_at": "2022-09-04T14:38:48.524802Z",
"updated_at": "2022-09-04T14:38:48.524832Z",
"structure_string": "Pr2 Cu18 Sn8\n1.0\n7.783845 -0.015493 -3.991350\n-2.912731 7.218343 -3.991350\n0.010477 0.015493 8.747514\nPr Cu Sn\n2 18 8\ndirect\n0.750000 0.750000 -0.000000 Pr\n0.250000 0.250000 -0.000000 Pr\n0.077025 0.779910 0.500000 Cu\n0.720089 0.422975 0.500000 Cu\n0.422975 0.922974 0.702885 Cu\n0.922975 0.220089 0.500000 Cu\n0.279911 0.577025 0.500000 Cu\n0.577025 0.077025 0.297114 Cu\n0.779911 0.279911 0.702885 Cu\n0.500000 0.000000 0.500000 Cu\n0.220089 0.720089 0.297114 Cu\n0.447592 0.355364 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.644636 0.144636 0.092229 Cu\n0.947592 0.447593 0.092228 Cu\n0.855363 0.947592 0.499999 Cu\n0.355364 0.855363 0.907771 Cu\n0.052408 0.552407 0.907771 Cu\n0.144636 0.052407 0.500000 Cu\n0.552407 0.644636 0.500000 Cu\n0.029397 0.220868 0.250265 Sn\n0.720868 0.529397 0.250265 Sn\n0.279132 0.470603 0.749734 Sn\n0.529397 0.279131 0.808529 Sn\n0.220868 0.970603 0.191470 Sn\n0.470603 0.720868 0.191470 Sn\n0.779131 0.029397 0.808529 Sn\n0.970603 0.779131 0.749734 Sn\n",
"nsites": 28,
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"elements": [
"Pr",
"Cu",
"Sn"
],
"chemical_system": "Cu-Pr-Sn",
"density": 8.015909625595027,
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"volume": 492.0610784908196,
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"formula_full": "Pr2 Cu18 Sn8",
"formula_reduced": "PrCu9Sn4",
"formula_anonymous": "AB4C9",
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"spacegroup": 140
},
{
"id": "jvasp-110941",
"created_at": "2022-09-04T14:38:48.636937Z",
"updated_at": "2022-09-04T14:38:48.636959Z",
"structure_string": "Yb8 Ni2\n1.0\n6.687766 -0.000000 3.861183\n2.229255 6.305286 3.861183\n-0.000000 -0.000000 7.722367\nYb Ni\n8 2\ndirect\n0.380175 0.380174 0.380174 Yb\n0.380175 0.380174 0.859477 Yb\n0.380175 0.859478 0.380173 Yb\n0.869827 0.869826 0.390521 Yb\n0.869827 0.869826 0.869825 Yb\n0.859478 0.380174 0.380173 Yb\n0.869827 0.390523 0.869825 Yb\n0.390523 0.869826 0.869825 Yb\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ni-Yb",
"density": 7.657692941683625,
"density_atomic": 0.03070886061620941,
"volume": 325.63891330834934,
"volume_molar": 19.61043372876317,
"formula_full": "Yb8 Ni2",
"formula_reduced": "Yb4Ni",
"formula_anonymous": "AB4",
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"spacegroup": 227
},
{
"id": "jvasp-117141",
"created_at": "2022-09-04T14:38:48.268204Z",
"updated_at": "2022-09-04T14:38:48.268233Z",
"structure_string": "Yb12 Pd4\n1.0\n6.376897 -0.000000 0.000000\n0.000000 7.550541 0.000000\n-0.000000 -0.000000 9.385513\nYb Pd\n12 4\ndirect\n0.340549 0.673821 0.063849 Yb\n0.159452 0.173821 0.436151 Yb\n0.659452 0.326179 0.563849 Yb\n0.840549 0.826179 0.936151 Yb\n0.659452 0.326179 0.936151 Yb\n0.840549 0.826179 0.563849 Yb\n0.340549 0.673821 0.436151 Yb\n0.159452 0.173821 0.063849 Yb\n0.865038 0.537070 0.250000 Yb\n0.634963 0.037070 0.250000 Yb\n0.134962 0.462930 0.750000 Yb\n0.365038 0.962929 0.750000 Yb\n0.050247 0.879916 0.250000 Pd\n0.449754 0.379916 0.250000 Pd\n0.949754 0.120083 0.750000 Pd\n0.550247 0.620083 0.750000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"density": 9.19430034565374,
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"volume": 451.9032742766495,
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"formula_full": "Yb12 Pd4",
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},
{
"id": "jvasp-115730",
"created_at": "2022-09-04T14:38:50.216598Z",
"updated_at": "2022-09-04T14:38:50.216621Z",
"structure_string": "Rb1 Sn1 Br1\n1.0\n6.228276 -0.731955 0.000000\n-0.724449 5.856431 0.000000\n0.000000 0.000000 3.503983\nRb Sn Br\n1 1 1\ndirect\n0.448356 0.029734 0.000000 Rb\n0.011306 0.419415 0.000000 Sn\n-0.087428 -0.130277 0.000000 Br\n",
"nsites": 3,
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"formula_full": "Rb1 Sn1 Br1",
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},
{
"id": "jvasp-110712",
"created_at": "2022-09-04T14:38:50.230744Z",
"updated_at": "2022-09-04T14:38:50.230774Z",
"structure_string": "K2 Rb1 Bi1 Br6\n1.0\n7.355198 -0.000000 4.246526\n2.451733 6.934548 4.246526\n-0.000000 -0.000000 8.493052\nK Rb Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.762792 0.237208 0.237209 Br\n0.237208 0.237208 0.762792 Br\n0.237208 0.762792 0.762792 Br\n0.237208 0.762792 0.237209 Br\n0.762792 0.237208 0.762792 Br\n0.762792 0.762792 0.237209 Br\n",
"nsites": 10,
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"volume": 433.1878928778467,
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"formula_full": "K2 Rb1 Bi1 Br6",
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},
{
"id": "jvasp-115579",
"created_at": "2022-09-04T14:38:48.585119Z",
"updated_at": "2022-09-04T14:38:48.585146Z",
"structure_string": "Ba1 Zn1 F1\n1.0\n4.277223 1.528110 0.000000\n1.939822 6.915116 0.000000\n0.000000 0.000000 4.027519\nBa Zn F\n1 1 1\ndirect\n0.005944 -0.118300 0.000000 Ba\n-0.081374 0.436161 0.000000 Zn\n0.347457 0.056177 0.000000 F\n",
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}
]
}