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{
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"updated_at": "2022-09-04T14:35:49.463879Z",
"structure_string": "Rb2 Ni4 F12\n1.0\n6.189617 0.000000 3.519926\n2.160913 5.870080 3.402172\n0.047664 0.175646 7.118218\nRb Ni F\n2 4 12\ndirect\n0.374923 0.875077 0.375077 Rb\n0.625077 0.124924 0.624924 Rb\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.926257 0.823767 0.926198 F\n0.676220 0.176234 0.073803 F\n0.926270 0.823730 0.323730 F\n0.926257 0.426197 0.323767 F\n0.323777 0.426223 0.926223 F\n0.323780 0.426197 0.323767 F\n0.073742 0.573803 0.676234 F\n0.323779 0.823767 0.926198 F\n0.073742 0.176234 0.073803 F\n0.676220 0.573803 0.676234 F\n0.676222 0.573778 0.073778 F\n0.073729 0.176270 0.676270 F\n",
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"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
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{
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"structure_string": "Rb2 Ni1 F4\n1.0\n3.945417 -0.000000 -1.135024\n-0.326524 3.931881 -1.135024\n-0.019342 -0.021015 7.357543\nRb Ni F\n2 1 4\ndirect\n0.645781 0.645780 0.291559 Rb\n0.354222 0.354221 0.708442 Rb\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 F\n0.000001 0.500000 0.000000 F\n0.854323 0.854321 0.708644 F\n0.145680 0.145680 0.291357 F\n",
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},
{
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"created_at": "2022-09-04T14:36:17.785110Z",
"updated_at": "2022-09-04T14:36:17.785146Z",
"structure_string": "Rb2 Ni1 F4\n1.0\n3.943964 -0.000000 -1.126610\n-0.321820 3.930812 -1.126610\n-0.011581 -0.012568 7.426153\nRb Ni F\n2 1 4\ndirect\n0.646928 0.646929 0.293857 Rb\n0.353071 0.353070 0.706142 Rb\n0.000000 0.000000 0.000000 Ni\n0.499999 0.000000 -0.000000 F\n0.000000 0.500000 -0.000000 F\n0.852162 0.852162 0.704326 F\n0.147837 0.147837 0.295674 F\n",
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{
"id": "jvasp-22586",
"created_at": "2022-09-04T14:37:08.377413Z",
"updated_at": "2022-09-04T14:37:08.377450Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145496 -0.000000 2.970754\n1.715166 4.851220 2.970754\n-0.000000 0.000000 5.941507\nRb Ni F\n2 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215652 0.784349 0.784348 F\n0.215652 0.784349 0.215650 F\n0.784350 0.215651 0.784348 F\n0.784350 0.215651 0.215650 F\n0.784350 0.784349 0.215650 F\n0.215651 0.215651 0.784349 F\n",
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"formula_full": "Rb2 Ni1 F6",
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"formula_anonymous": "AB2C6",
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{
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"created_at": "2022-09-04T14:38:34.991197Z",
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"structure_string": "Rb2 Ni2 Cl6\n1.0\n3.448746 -5.973404 -0.000000\n3.448746 5.973404 -0.000000\n-0.000000 0.000000 5.868609\nRb Ni Cl\n2 2 6\ndirect\n0.666667 0.333334 0.250000 Rb\n0.333334 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.840364 0.680726 0.750000 Cl\n0.159638 0.840363 0.250000 Cl\n0.680726 0.840364 0.250000 Cl\n0.319275 0.159638 0.750000 Cl\n0.159638 0.319275 0.250000 Cl\n0.840363 0.159638 0.750000 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.440912062061013,
"density_atomic": 0.041357257394162704,
"volume": 241.79553070198102,
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"formula_full": "Rb2 Ni2 Cl6",
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"spacegroup": 194
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{
"id": "jvasp-12759",
"created_at": "2022-09-04T14:38:11.613717Z",
"updated_at": "2022-09-04T14:38:11.613735Z",
"structure_string": "Rb2 Ni2 Br6\n1.0\n3.637577 -6.300468 0.000000\n3.637577 6.300468 -0.000000\n0.000000 0.000000 6.180621\nRb Ni Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.677185 0.838592 0.250000 Br\n0.838592 0.161409 0.750000 Br\n0.161409 0.838592 0.250000 Br\n0.322816 0.161409 0.750000 Br\n0.838592 0.677185 0.750000 Br\n0.161409 0.322816 0.250000 Br\n",
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],
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"formula_full": "Rb2 Ni2 Br6",
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},
{
"id": "jvasp-100769",
"created_at": "2022-09-04T14:37:08.805873Z",
"updated_at": "2022-09-04T14:37:08.805893Z",
"structure_string": "Rb4 Ni2 As4\n1.0\n7.838432 -0.069905 0.000000\n-4.802603 6.195233 0.000000\n0.000000 -0.000000 5.943161\nRb Ni As\n4 2 4\ndirect\n0.791445 0.208556 0.250000 Rb\n0.208556 0.791444 0.750000 Rb\n0.404280 0.595720 0.250000 Rb\n0.595720 0.404280 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.918115 0.721650 0.250000 As\n0.081885 0.278350 0.750000 As\n0.278351 0.081885 0.250000 As\n0.721650 0.918115 0.750000 As\n",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-10725",
"created_at": "2022-09-04T14:38:16.803783Z",
"updated_at": "2022-09-04T14:38:16.803814Z",
"structure_string": "Rb2 Nd2 Te8\n1.0\n6.966457 0.000000 0.000000\n0.000000 6.966457 0.000000\n0.000000 -0.000000 9.081304\nRb Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.355830 0.855831 0.289870 Te\n0.144170 0.355830 0.289870 Te\n0.855831 0.644170 0.289870 Te\n0.355830 0.144170 0.710129 Te\n0.644170 0.855831 0.710129 Te\n0.644170 0.144170 0.289870 Te\n0.855831 0.355830 0.710129 Te\n0.144170 0.644170 0.710129 Te\n",
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"formula_full": "Rb2 Nd2 Te8",
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{
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"created_at": "2022-09-04T14:36:49.724816Z",
"updated_at": "2022-09-04T14:36:49.724833Z",
"structure_string": "Rb1 Nd1 Te2\n1.0\n4.455364 -0.003786 7.682171\n2.063586 3.948658 7.682171\n-0.006256 -0.003786 8.880651\nRb Nd Te\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Rb\n0.000000 0.000000 0.000000 Nd\n0.263805 0.263804 0.263805 Te\n0.736195 0.736194 0.736196 Te\n",
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{
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"updated_at": "2022-09-04T14:35:48.856877Z",
"structure_string": "Rb1 Nd1 Se2\n1.0\n4.198168 -0.001534 7.184214\n1.944025 3.720939 7.184214\n-0.002533 -0.001534 8.320910\nRb Nd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.499998 Nd\n0.234679 0.234680 0.234678 Se\n0.765322 0.765323 0.765318 Se\n",
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{
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"structure_string": "Rb1 Nd1 S2\n1.0\n4.055420 -0.001399 6.916586\n1.877119 3.594837 6.916586\n-0.002310 -0.001399 8.017829\nRb Nd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.766554 0.766554 0.766554 S\n0.233446 0.233447 0.233447 S\n",
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]
}