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{
"id": "jvasp-110380",
"created_at": "2022-09-04T14:38:38.497618Z",
"updated_at": "2022-09-04T14:38:38.497638Z",
"structure_string": "Rb2 Y1 In1 I6\n1.0\n7.661699 -0.000000 4.423484\n2.553900 7.223519 4.423484\n-0.000000 0.000000 8.846968\nRb Y In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.760503 0.239497 0.239497 I\n0.239497 0.239497 0.760503 I\n0.239497 0.760503 0.760502 I\n0.239497 0.760503 0.239497 I\n0.760503 0.239497 0.760502 I\n0.760503 0.760503 0.239497 I\n",
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{
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"structure_string": "Rb2 Y1 Tl1 Cl6\n1.0\n6.878906 -0.000000 3.971538\n2.292969 6.485494 3.971538\n-0.000000 -0.000000 7.943076\nRb Y Tl Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Tl\n0.767225 0.232776 0.232776 Cl\n0.232776 0.232776 0.767225 Cl\n0.232776 0.767224 0.767225 Cl\n0.232776 0.767224 0.232776 Cl\n0.767225 0.232776 0.767225 Cl\n0.767225 0.767224 0.232776 Cl\n",
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{
"id": "jvasp-110374",
"created_at": "2022-09-04T14:38:39.120279Z",
"updated_at": "2022-09-04T14:38:39.120298Z",
"structure_string": "Rb2 Y1 Tl1 F6\n1.0\n5.868704 -0.000000 3.388297\n1.956235 5.533066 3.388297\n0.000000 -0.000000 6.776594\nRb Y Tl F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 Tl\n0.773826 0.226173 0.226173 F\n0.226172 0.226173 0.773827 F\n0.226172 0.773828 0.773827 F\n0.226172 0.773828 0.226173 F\n0.773826 0.226173 0.773827 F\n0.773826 0.773828 0.226174 F\n",
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"formula_full": "Rb2 Y1 Tl1 F6",
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{
"id": "jvasp-110387",
"created_at": "2022-09-04T14:38:38.691358Z",
"updated_at": "2022-09-04T14:38:38.691379Z",
"structure_string": "Rb2 Y1 Tl1 I6\n1.0\n7.691036 -0.000000 4.440422\n2.563679 7.251178 4.440422\n-0.000000 -0.000000 8.880843\nRb Y Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Tl\n0.761643 0.238357 0.238357 I\n0.238357 0.238357 0.761642 I\n0.238358 0.761643 0.761642 I\n0.238358 0.761643 0.238357 I\n0.761643 0.238357 0.761642 I\n0.761643 0.761643 0.238357 I\n",
"nsites": 10,
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{
"id": "jvasp-107529",
"created_at": "2022-09-04T14:37:15.978211Z",
"updated_at": "2022-09-04T14:37:15.978230Z",
"structure_string": "Rb2 Zn3 Ge1 As4\n1.0\n7.873257 0.047846 0.000000\n-5.715290 5.415341 0.000000\n-0.000000 -0.000000 5.867223\nRb Zn Ge As\n2 3 1 4\ndirect\n0.500000 0.000000 0.250808 Rb\n-0.000000 0.500000 0.749191 Rb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.649891 0.862269 0.756079 As\n0.137732 0.350109 0.243920 As\n0.862269 0.649891 0.243920 As\n0.350109 0.137732 0.756079 As\n",
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"volume": 251.76151334515185,
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{
"id": "jvasp-97435",
"created_at": "2022-09-04T14:38:14.692772Z",
"updated_at": "2022-09-04T14:38:14.692801Z",
"structure_string": "Rb2 Zr2 Cd2 F14\n1.0\n6.540904 0.019105 0.000000\n-2.947802 5.839028 -0.000000\n0.000000 0.000000 8.571164\nRb Zr Cd F\n2 2 2 14\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.806382 0.193617 0.750000 Zr\n0.193618 0.806382 0.250000 Zr\n0.807704 0.192295 0.250000 Cd\n0.192296 0.807705 0.750000 Cd\n0.205098 0.794902 0.486369 F\n0.205098 0.794902 0.013631 F\n0.990283 0.009715 0.750000 F\n0.472979 0.173441 0.750000 F\n0.826558 0.527020 0.750000 F\n0.435533 0.154491 0.250000 F\n0.527020 0.826558 0.250000 F\n0.173442 0.472980 0.250000 F\n0.009716 0.990285 0.250000 F\n0.564467 0.845509 0.750000 F\n0.154491 0.435533 0.750000 F\n0.794902 0.205097 0.513631 F\n0.794902 0.205097 0.986369 F\n0.845509 0.564467 0.250000 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.275902161360889,
"density_atomic": 0.061005912778339444,
"volume": 327.83707495154687,
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{
"id": "jvasp-99484",
"created_at": "2022-09-04T14:36:18.635487Z",
"updated_at": "2022-09-04T14:36:18.635514Z",
"structure_string": "Rb1 Zr1 Cu3 Se4\n1.0\n6.305564 -0.000000 0.000000\n0.000000 6.305564 0.000000\n0.000000 -0.000000 6.305564\nRb Zr Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Zr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.227100 0.227100 0.227100 Se\n0.772899 0.772899 0.227100 Se\n0.227100 0.772899 0.772899 Se\n0.772899 0.227100 0.772899 Se\n",
"nsites": 9,
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"formula_full": "Rb1 Zr1 Cu3 Se4",
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},
{
"id": "jvasp-57325",
"created_at": "2022-09-04T14:38:14.456350Z",
"updated_at": "2022-09-04T14:38:14.456370Z",
"structure_string": "Rb2 Zr2 Mn2 F14\n1.0\n0.000000 6.440938 -0.019952\n8.328518 0.000000 0.000000\n0.000000 -2.975734 -5.712330\nRb Zr Mn F\n2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.690958 0.250000 0.808726 Zr\n0.309043 0.750000 0.191274 Zr\n0.308330 0.250000 0.191378 Mn\n0.691671 0.750000 0.808622 Mn\n0.298978 0.504915 0.201155 F\n0.496476 0.750000 0.004014 F\n0.503525 0.250000 0.995985 F\n0.943222 0.250000 0.160943 F\n0.665192 0.250000 0.467619 F\n0.298978 0.995085 0.201155 F\n0.701023 0.495085 0.798845 F\n0.056778 0.750000 0.839056 F\n0.967889 0.750000 0.165409 F\n0.334809 0.750000 0.532381 F\n0.338759 0.250000 0.556373 F\n0.661242 0.750000 0.443626 F\n0.701023 0.004915 0.798845 F\n0.032112 0.250000 0.834590 F\n",
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{
"id": "jvasp-26926",
"created_at": "2022-09-04T14:38:35.799534Z",
"updated_at": "2022-09-04T14:38:35.799562Z",
"structure_string": "Re1 H8 Br6 N2\n1.0\n6.360560 -0.000000 3.672272\n2.120186 5.996794 3.672272\n-0.000000 -0.000000 7.344542\nRe H Br N\n1 8 6 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.307689 0.076935 0.307688 H\n0.076935 0.307688 0.307688 H\n0.923066 0.692311 0.692311 H\n0.692312 0.692311 0.692311 H\n0.692312 0.923065 0.692311 H\n0.307689 0.307688 0.076934 H\n0.307689 0.307688 0.307688 H\n0.692312 0.692311 0.923065 H\n0.243696 0.756304 0.243695 Br\n0.756305 0.243695 0.243695 Br\n0.243696 0.756304 0.756304 Br\n0.243696 0.243695 0.756304 Br\n0.756305 0.756304 0.243695 Br\n0.756305 0.243695 0.756304 Br\n0.250000 0.250000 0.250000 N\n0.750001 0.750000 0.749999 N\n",
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"formula_full": "Re1 H8 Br6 N2",
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{
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"created_at": "2022-09-04T14:37:31.208871Z",
"updated_at": "2022-09-04T14:37:31.208904Z",
"structure_string": "Re1 H8 N2 Cl6\n1.0\n4.919163 4.919163 -0.000000\n-0.000000 4.919163 4.919163\n4.919163 -0.000000 4.919163\nRe H N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.310846 0.067461 0.310846 H\n0.310846 0.310846 0.067461 H\n0.067461 0.310846 0.310846 H\n0.310846 0.310846 0.310846 H\n0.689153 0.932539 0.689153 H\n0.689153 0.689153 0.932539 H\n0.932539 0.689153 0.689153 H\n0.689153 0.689153 0.689153 H\n0.749999 0.749999 0.749999 N\n0.250000 0.250000 0.250000 N\n0.758221 0.758221 0.241778 Cl\n0.241778 0.758221 0.758221 Cl\n0.241778 0.241778 0.758221 Cl\n0.241778 0.758221 0.241778 Cl\n0.758221 0.241778 0.241778 Cl\n0.758221 0.241778 0.758221 Cl\n",
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{
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"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
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{
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"created_at": "2022-09-04T14:35:41.678335Z",
"updated_at": "2022-09-04T14:35:41.678353Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.443643 0.000000 0.000000\n0.000000 5.754104 0.000000\n0.000000 0.000000 9.458390\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245928 0.000000 0.130013 Re\n0.745928 0.500000 0.869987 Re\n0.710351 0.500000 0.324173 Pb\n0.210351 0.000000 0.675827 Pb\n0.666544 0.000000 0.460676 Cl\n0.166544 0.500000 0.539324 Cl\n0.640071 0.245313 0.778044 O\n0.140071 0.745312 0.221956 O\n0.629001 0.500000 0.047386 O\n0.637343 0.000000 0.127650 O\n0.640071 0.754687 0.778044 O\n0.140071 0.254687 0.221956 O\n0.129001 0.000000 0.952614 O\n0.137344 0.500000 0.872350 O\n",
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}
]
}