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{
"id": "jvasp-30173",
"created_at": "2022-09-04T14:37:14.279860Z",
"updated_at": "2022-09-04T14:37:14.279884Z",
"structure_string": "Sb4 O4 F4\n1.0\n5.500918 0.000000 0.751333\n0.000000 6.438356 0.000000\n-0.191251 0.000000 5.289340\nSb O F\n4 4 4\ndirect\n0.266897 0.529827 0.702161 Sb\n0.266897 0.970174 0.202161 Sb\n0.733104 0.029826 0.797838 Sb\n0.733104 0.470174 0.297838 Sb\n0.419548 0.852757 0.862636 O\n0.419548 0.647244 0.362636 O\n0.580452 0.352756 0.637363 O\n0.580452 0.147244 0.137363 O\n0.100213 0.186160 0.965978 F\n0.100213 0.313840 0.465978 F\n0.899788 0.686160 0.534022 F\n0.899788 0.813840 0.034022 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:18.550156Z",
"structure_string": "Li3 Mg1\n1.0\n3.119981 0.000000 0.000000\n0.000000 5.005418 0.000000\n0.000000 0.000000 5.154579\nLi Mg\n3 1\ndirect\n0.000000 0.000000 0.981296 Li\n0.500000 0.000000 0.481468 Li\n0.500000 0.500000 0.850816 Li\n0.000000 0.500000 0.353087 Mg\n",
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"volume": 80.49807601252097,
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"spacegroup": 25
},
{
"id": "jvasp-53459",
"created_at": "2022-09-04T14:38:31.582161Z",
"updated_at": "2022-09-04T14:38:31.582190Z",
"structure_string": "Mn1 Cu2 Cl4\n1.0\n3.337100 -0.000000 1.926676\n2.182345 5.924935 3.926770\n0.159140 0.202449 7.431061\nMn Cu Cl\n1 2 4\ndirect\n0.499999 0.775266 0.724734 Mn\n0.313613 0.117933 0.068454 Cu\n0.686387 0.431545 0.382068 Cu\n0.038405 0.007602 -0.046008 Cl\n-0.000000 0.526916 0.973084 Cl\n-0.000000 0.024729 0.475271 Cl\n0.961595 0.546008 0.492399 Cl\n",
"nsites": 7,
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"formula_full": "Mn1 Cu2 Cl4",
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"spacegroup": 65
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{
"id": "jvasp-66194",
"created_at": "2022-09-04T14:36:21.423659Z",
"updated_at": "2022-09-04T14:36:21.423685Z",
"structure_string": "Ba4 Zn1 Ir1\n1.0\n0.000000 4.767110 4.767110\n4.767110 -0.000000 4.767110\n4.767110 4.767110 0.000000\nBa Zn Ir\n4 1 1\ndirect\n0.127936 0.624022 0.624022 Ba\n0.624022 0.624022 0.624022 Ba\n0.624022 0.127936 0.624022 Ba\n0.624022 0.624022 0.127936 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ir\n",
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},
{
"id": "jvasp-64796",
"created_at": "2022-09-04T14:38:17.008561Z",
"updated_at": "2022-09-04T14:38:17.008586Z",
"structure_string": "Ba4 Sc1 Bi1\n1.0\n-0.000000 5.082739 5.082739\n5.082739 -0.000000 5.082739\n5.082739 5.082739 0.000000\nBa Sc Bi\n4 1 1\ndirect\n0.127334 0.624222 0.624222 Ba\n0.624222 0.624222 0.624222 Ba\n0.624222 0.127334 0.624222 Ba\n0.624222 0.624222 0.127334 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Bi\n",
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},
{
"id": "jvasp-30207",
"created_at": "2022-09-04T14:37:06.109521Z",
"updated_at": "2022-09-04T14:37:06.109546Z",
"structure_string": "Sb4 O4 F4\n1.0\n12.641592 0.000000 0.000000\n0.000000 3.568860 0.000000\n0.000000 -0.000000 3.985754\nSb O F\n4 4 4\ndirect\n0.150726 0.250000 0.202145 Sb\n0.349274 0.750000 0.702145 Sb\n0.650726 0.250000 0.297854 Sb\n0.849274 0.750000 0.797854 Sb\n0.251608 0.750000 0.291812 O\n0.248392 0.250000 0.791811 O\n0.751608 0.750000 0.208188 O\n0.748392 0.250000 0.708187 O\n0.085744 0.750000 0.881246 F\n0.414256 0.250000 0.381246 F\n0.585743 0.750000 0.618752 F\n0.914256 0.250000 0.118753 F\n",
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"formula_full": "Sb4 O4 F4",
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"spacegroup": 62
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{
"id": "jvasp-67704",
"created_at": "2022-09-04T14:35:54.427086Z",
"updated_at": "2022-09-04T14:35:54.427114Z",
"structure_string": "Sc1 Be1 Ga4\n1.0\n0.000000 3.735406 3.735406\n3.735406 0.000000 3.735406\n3.735406 3.735406 0.000000\nSc Be Ga\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Be\n0.123710 0.625430 0.625430 Ga\n0.625430 0.625430 0.625430 Ga\n0.625430 0.123710 0.625430 Ga\n0.625430 0.625430 0.123710 Ga\n",
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},
{
"id": "jvasp-90105",
"created_at": "2022-09-04T14:35:43.417914Z",
"updated_at": "2022-09-04T14:35:43.417940Z",
"structure_string": "Eu3 In3 Pd3\n1.0\n0.000000 0.000000 -3.909411\n-3.863976 -6.692604 0.000000\n-3.863845 6.692528 0.000000\nEu In Pd\n3 3 3\ndirect\n0.500000 0.591825 0.000000 Eu\n0.500000 0.408152 0.408164 Eu\n0.500000 0.999988 0.591837 Eu\n0.000000 0.258129 0.000000 In\n0.000000 0.741849 0.741861 In\n0.000000 0.999989 0.258140 In\n0.000000 0.333320 0.666666 Pd\n0.000000 0.666655 0.333335 Pd\n0.500000 0.999989 0.000001 Pd\n",
"nsites": 9,
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{
"id": "jvasp-81122",
"created_at": "2022-09-04T14:37:12.182119Z",
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"structure_string": "Na1 Cd1 Pd2\n1.0\n-10.952924 2.483377 -2.268068\n-7.487451 1.407042 1.034061\n-6.604828 3.904647 -0.494839\nNa Cd Pd\n1 1 2\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 -0.000001 0.000001 Cd\n0.771688 -0.015505 -0.015522 Pd\n0.228312 0.015503 0.015524 Pd\n",
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{
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"created_at": "2022-09-04T14:35:43.427393Z",
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"structure_string": "Zn2 Ge1 S3\n1.0\n3.844483 -0.000000 0.000000\n-1.922241 3.329420 -0.000000\n-0.000000 0.000000 10.536268\nZn Ge S\n2 1 3\ndirect\n0.666667 0.333333 0.352370 Zn\n0.333333 0.666667 0.648825 Zn\n0.000000 0.000000 0.001378 Ge\n0.000000 0.000000 0.283557 S\n0.666667 0.333333 0.583482 S\n0.333333 0.666667 0.880389 S\n",
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{
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"structure_string": "In1 Sn2 Te3\n1.0\n4.498546 0.000000 0.000000\n-2.249272 3.895854 -0.000000\n0.000000 -0.000000 11.086912\nIn Sn Te\n1 2 3\ndirect\n0.000000 0.000000 0.000000 In\n0.333333 0.666666 0.668961 Sn\n0.666668 0.333333 0.331039 Sn\n0.333333 0.666666 0.167303 Te\n0.666668 0.333333 0.832696 Te\n-0.000000 0.000000 0.500000 Te\n",
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