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{
"id": "jvasp-22365",
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"structure_string": "Rb2 Cu2 F6\n1.0\n5.096951 -0.124926 -2.759685\n-3.258134 4.787349 -0.276105\n-0.085021 0.124926 5.795477\nRb Cu F\n2 2 6\ndirect\n0.000001 0.750001 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000001 Cu\n0.027978 0.263989 0.763989 F\n0.500001 0.763989 0.736011 F\n0.500000 0.236011 0.263988 F\n0.972023 0.736011 0.236010 F\n0.500000 0.750000 0.249999 F\n0.500000 0.250000 0.750000 F\n",
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"structure_string": "Rb1 Cu1 F3\n1.0\n4.092970 0.000000 0.000000\n0.000000 4.092970 0.000000\n0.000000 0.000000 4.092623\nRb Cu F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:38:07.375035Z",
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"nsites": 14,
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"spacegroup": 64
},
{
"id": "jvasp-56242",
"created_at": "2022-09-04T14:36:21.626797Z",
"updated_at": "2022-09-04T14:36:21.626821Z",
"structure_string": "Rb2 Cu2 Cl6\n1.0\n3.443640 -5.964561 -0.000000\n3.443640 5.964561 0.000000\n0.000000 0.000000 5.894679\nRb Cu Cl\n2 2 6\ndirect\n0.666667 0.333333 0.750000 Rb\n0.333333 0.666667 0.250000 Rb\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.327959 0.163979 0.250000 Cl\n0.672041 0.836021 0.750000 Cl\n0.163979 0.836021 0.750000 Cl\n0.836021 0.672041 0.250000 Cl\n0.163979 0.327959 0.750000 Cl\n0.836021 0.163979 0.250000 Cl\n",
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"density": 3.502412927974784,
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"volume": 242.151065375511,
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"formula_full": "Rb2 Cu2 Cl6",
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"spacegroup": 194
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{
"id": "jvasp-107370",
"created_at": "2022-09-04T14:37:02.633533Z",
"updated_at": "2022-09-04T14:37:02.633551Z",
"structure_string": "Rb2 Cu2 Cl6\n1.0\n6.105640 0.106654 -3.226239\n-2.171147 5.707568 -3.226239\n-0.072173 -0.106654 6.905233\nRb Cu Cl\n2 2 6\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.000000 0.500001 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.275068 0.775069 0.050138 Cl\n0.775069 0.724931 0.500000 Cl\n0.224932 0.275069 0.500000 Cl\n0.724932 0.224932 0.949862 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Cu2 Cl6",
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{
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"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
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"formula_full": "Rb8 Cu4 Cl12",
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{
"id": "jvasp-8087",
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"updated_at": "2022-09-04T14:37:06.385237Z",
"structure_string": "Rb2 Cu2 C4\n1.0\n4.929310 -0.000000 0.000000\n0.000000 4.929310 0.000000\n0.000000 0.000000 8.150357\nRb Cu C\n2 2 4\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.873324 0.500000 0.500000 C\n0.500000 0.873324 0.000000 C\n0.126676 0.500000 0.500000 C\n0.500000 0.126676 0.000000 C\n",
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"formula_full": "Rb2 Cu2 C4",
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},
{
"id": "jvasp-8102",
"created_at": "2022-09-04T14:36:36.906465Z",
"updated_at": "2022-09-04T14:36:36.906492Z",
"structure_string": "Rb1 Cu1 C2\n1.0\n4.466008 0.000000 0.000000\n0.000000 4.466008 0.000000\n0.000000 -0.000000 4.946373\nRb Cu C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.626282 C\n0.000000 0.000000 0.373718 C\n",
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},
{
"id": "jvasp-56857",
"created_at": "2022-09-04T14:37:58.391132Z",
"updated_at": "2022-09-04T14:37:58.391154Z",
"structure_string": "Rb2 Cu4 Br6\n1.0\n5.275352 0.000000 0.000000\n-0.000000 7.868289 -1.798735\n-0.000000 0.030617 8.071213\nRb Cu Br\n2 4 6\ndirect\n0.750000 0.701556 0.298445 Rb\n0.250000 0.298445 0.701556 Rb\n0.000000 0.822133 0.822133 Cu\n0.500000 0.822133 0.822133 Cu\n0.500000 0.177868 0.177868 Cu\n0.000000 0.177868 0.177868 Cu\n0.750000 0.573344 0.839556 Br\n0.750000 0.109393 0.890607 Br\n0.250000 0.426656 0.160445 Br\n0.750000 0.160445 0.426656 Br\n0.250000 0.890608 0.109393 Br\n0.250000 0.839556 0.573344 Br\n",
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},
{
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"created_at": "2022-09-04T14:38:02.226452Z",
"updated_at": "2022-09-04T14:38:02.226473Z",
"structure_string": "Rb1 Cu1 Br3\n1.0\n5.150395 -0.004075 -0.001818\n0.004274 5.151447 -0.004640\n0.001891 0.005234 5.151458\nRb Cu Br\n1 1 3\ndirect\n0.005975 0.989999 0.013990 Rb\n0.506013 0.490013 0.514013 Cu\n0.506001 0.489993 0.014005 Br\n0.505995 0.989999 0.513995 Br\n0.006013 0.489997 0.513996 Br\n",
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},
{
"id": "jvasp-12958",
"created_at": "2022-09-04T14:36:50.743663Z",
"updated_at": "2022-09-04T14:36:50.743674Z",
"structure_string": "Rb1 Cr5 Se8\n1.0\n3.620045 0.000000 -0.699974\n-0.433432 8.758608 -2.241573\n-0.017919 0.015551 9.618175\nRb Cr Se\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.296016 0.664538 0.592030 Cr\n0.658289 0.977396 0.316575 Cr\n0.341713 0.022603 0.683426 Cr\n0.703986 0.335462 0.407971 Cr\n0.238233 0.157248 0.476466 Se\n0.425181 0.844462 0.850361 Se\n0.574821 0.155538 0.149640 Se\n0.913249 0.173889 0.826498 Se\n0.086752 0.826111 0.173504 Se\n0.829955 0.508194 0.659908 Se\n0.170047 0.491806 0.340094 Se\n0.761769 0.842752 0.523536 Se\n",
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{
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"structure_string": "Rb1 Cr2 S4\n1.0\n7.843326 -0.066077 1.395399\n7.116808 3.297449 1.395399\n-0.344361 -0.074382 5.560061\nRb Cr S\n1 2 4\ndirect\n0.500001 0.500000 0.500000 Rb\n0.752629 0.752628 0.205417 Cr\n0.247372 0.247372 0.794582 Cr\n0.347833 0.347833 0.055691 S\n0.652168 0.652167 0.944309 S\n0.824728 0.824727 0.565646 S\n0.175273 0.175273 0.434354 S\n",
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