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{
"id": "jvasp-63904",
"created_at": "2022-09-04T14:36:17.515609Z",
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"structure_string": "Ba4 Sn1 Ge1\n1.0\n-0.000000 4.932068 4.932068\n4.932068 -0.000000 4.932068\n4.932068 4.932068 0.000000\nBa Sn Ge\n4 1 1\ndirect\n0.125217 0.624928 0.624928 Ba\n0.624928 0.624928 0.624928 Ba\n0.624928 0.125217 0.624928 Ba\n0.624928 0.624928 0.125217 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ge\n",
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{
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"structure_string": "Ce1 Pm1 Zn2\n1.0\n-0.000000 3.625557 3.625557\n3.625557 0.000000 3.625557\n3.625557 3.625557 0.000000\nCe Pm Zn\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ce\n0.750001 0.750001 0.750001 Pm\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
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"structure_string": "Rb8 Co4 Cl16\n1.0\n7.070423 0.000000 0.000000\n-0.000000 9.298940 0.000000\n0.000000 0.000000 12.391559\nRb Co Cl\n8 4 16\ndirect\n0.750000 0.978802 0.829588 Rb\n0.750000 0.478802 0.670412 Rb\n0.250000 0.521198 0.329588 Rb\n0.750000 0.631809 0.095093 Rb\n0.250000 0.368191 0.904907 Rb\n0.750000 0.131809 0.404907 Rb\n0.250000 0.868191 0.595093 Rb\n0.250000 0.021198 0.170412 Rb\n0.750000 0.228958 0.075794 Co\n0.250000 0.771042 0.924206 Co\n0.750000 0.728958 0.424206 Co\n0.250000 0.271042 0.575794 Co\n0.250000 0.511569 0.597734 Cl\n0.750000 0.488431 0.402266 Cl\n0.493776 0.826172 0.347162 Cl\n0.750000 0.314505 0.905752 Cl\n0.250000 0.685495 0.094248 Cl\n0.750000 0.814505 0.594248 Cl\n0.250000 0.185495 0.405752 Cl\n0.493776 0.326172 0.152838 Cl\n-0.006224 0.673828 0.847162 Cl\n0.006224 0.826172 0.347162 Cl\n0.506224 0.173828 0.652838 Cl\n0.506224 0.673828 0.847162 Cl\n0.006224 0.326172 0.152838 Cl\n-0.006224 0.173828 0.652838 Cl\n0.750000 0.988430 0.097734 Cl\n0.250000 0.011569 0.902266 Cl\n",
"nsites": 28,
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"volume": 814.7132725853651,
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"formula_full": "Rb8 Co4 Cl16",
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{
"id": "jvasp-79877",
"created_at": "2022-09-04T14:37:18.322766Z",
"updated_at": "2022-09-04T14:37:18.322787Z",
"structure_string": "Pm2 Cd1 In1\n1.0\n0.000002 3.822353 3.822363\n3.822362 0.000002 3.822363\n3.822364 3.822354 0.000001\nPm Cd In\n2 1 1\ndirect\n0.500000 0.500000 0.499999 Pm\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Cd\n0.749999 0.750000 0.749999 In\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-20392",
"created_at": "2022-09-04T14:37:47.174144Z",
"updated_at": "2022-09-04T14:37:47.174163Z",
"structure_string": "Yb4 Mg8\n1.0\n3.087312 -5.347383 0.000000\n3.087312 5.347383 -0.000000\n-0.000000 -0.000000 9.997388\nYb Mg\n4 8\ndirect\n0.666667 0.333333 0.061024 Yb\n0.333333 0.666667 0.561024 Yb\n0.333333 0.666667 0.938976 Yb\n0.666667 0.333333 0.438976 Yb\n0.168750 0.337500 0.250000 Mg\n0.337500 0.168750 0.750000 Mg\n0.831249 0.168750 0.750000 Mg\n0.168750 0.831249 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.831249 0.662499 0.750000 Mg\n0.662499 0.831249 0.250000 Mg\n",
"nsites": 12,
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"density": 4.460037079021514,
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"formula_full": "Yb4 Mg8",
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{
"id": "jvasp-64224",
"created_at": "2022-09-04T14:36:13.773976Z",
"updated_at": "2022-09-04T14:36:13.773998Z",
"structure_string": "Ba4 Ga1 Se1\n1.0\n0.000000 4.920028 4.920028\n4.920028 0.000000 4.920028\n4.920028 4.920028 -0.000000\nBa Ga Se\n4 1 1\ndirect\n0.122410 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122410 0.625863 Ba\n0.625863 0.625863 0.122410 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Ba4 Ga1 Se1",
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"spacegroup": 216
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{
"id": "jvasp-102415",
"created_at": "2022-09-04T14:36:45.678191Z",
"updated_at": "2022-09-04T14:36:45.678199Z",
"structure_string": "Rb2 Na1 Mo1 I6\n1.0\n7.182704 -0.000000 4.146936\n2.394235 6.771918 4.146936\n-0.000000 -0.000000 8.293872\nRb Na Mo I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760866 0.239133 0.239134 I\n0.239133 0.239133 0.760867 I\n0.239133 0.760867 0.760867 I\n0.239133 0.760867 0.239134 I\n0.760866 0.239133 0.760867 I\n0.760866 0.760867 0.239134 I\n",
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"density": 4.3272854706290165,
"density_atomic": 0.02478808697293168,
"volume": 403.41959469965917,
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"formula_full": "Rb2 Na1 Mo1 I6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-100870",
"created_at": "2022-09-04T14:36:35.384783Z",
"updated_at": "2022-09-04T14:36:35.384806Z",
"structure_string": "Ca1 Mg3\n1.0\n4.540417 -0.000000 2.621411\n1.513472 4.280746 2.621411\n-0.000000 -0.000000 5.242822\nCa Mg\n1 3\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n",
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{
"id": "jvasp-18450",
"created_at": "2022-09-04T14:37:03.464339Z",
"updated_at": "2022-09-04T14:37:03.464360Z",
"structure_string": "Ni1 I2\n1.0\n3.755442 -0.012856 5.811465\n1.704715 3.346260 5.811465\n-0.021058 -0.012856 6.919250\nNi I\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.255645 0.255644 0.255646 I\n0.744354 0.744353 0.744358 I\n",
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},
{
"id": "jvasp-12083",
"created_at": "2022-09-04T14:36:14.707812Z",
"updated_at": "2022-09-04T14:36:14.707830Z",
"structure_string": "Ni1 I2\n1.0\n3.755442 -0.012856 5.811465\n1.704715 3.346260 5.811465\n-0.021058 -0.012856 6.919250\nNi I\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.255645 0.255644 0.255645 I\n0.744354 0.744353 0.744356 I\n",
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{
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"created_at": "2022-09-04T14:37:03.267664Z",
"updated_at": "2022-09-04T14:37:03.267690Z",
"structure_string": "Mg1 Cu1 Sn1\n1.0\n3.922879 0.000000 2.264876\n1.307627 3.698526 2.264876\n0.000000 -0.000000 4.529751\nMg Cu Sn\n1 1 1\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Sn\n",
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{
"id": "jvasp-3075",
"created_at": "2022-09-04T14:37:17.195735Z",
"updated_at": "2022-09-04T14:37:17.195760Z",
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