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{
"id": "jvasp-100890",
"created_at": "2022-09-04T14:36:41.415510Z",
"updated_at": "2022-09-04T14:36:41.415532Z",
"structure_string": "Na2 Ga1 Cu1 F6\n1.0\n4.956027 -0.000000 2.861364\n1.652009 4.672587 2.861364\n-0.000000 -0.000000 5.722727\nNa Ga Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Cu\n0.236927 0.236927 0.763073 F\n0.236927 0.763073 0.763072 F\n0.763073 0.763073 0.236926 F\n0.236927 0.763073 0.236926 F\n0.763073 0.236927 0.763072 F\n0.763073 0.236927 0.236926 F\n",
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{
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"structure_string": "K2 Sr1 Ta2 O7\n1.0\n3.941053 0.000000 -0.709285\n-0.127653 3.938985 -0.709285\n-0.003095 -0.003197 11.286441\nK Sr Ta O\n2 1 2 7\ndirect\n0.806476 0.806473 0.612949 K\n0.193526 0.193525 0.387051 K\n0.000000 0.000000 0.000000 Sr\n0.596883 0.596882 0.193766 Ta\n0.403118 0.403116 0.806234 Ta\n0.500000 0.499999 0.000000 O\n0.317368 0.317366 0.634734 O\n0.682633 0.682632 0.365267 O\n0.412151 0.912148 0.824298 O\n0.912150 0.412148 0.824298 O\n0.087851 0.587850 0.175703 O\n0.587850 0.087850 0.175703 O\n",
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{
"id": "jvasp-100889",
"created_at": "2022-09-04T14:37:01.516735Z",
"updated_at": "2022-09-04T14:37:01.516758Z",
"structure_string": "K3 Bi1 Cl6\n1.0\n6.848467 -0.000000 3.953965\n2.282822 6.456797 3.953965\n-0.000000 -0.000000 7.907929\nK Bi Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Bi\n0.758838 0.241162 0.241161 Cl\n0.241162 0.241162 0.758838 Cl\n0.241161 0.758839 0.758838 Cl\n0.241161 0.758839 0.241161 Cl\n0.758838 0.241162 0.758838 Cl\n0.758838 0.758839 0.241161 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Bi-Cl-K",
"density": 2.559523980144564,
"density_atomic": 0.02859741242117981,
"volume": 349.6819870525699,
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"formula_full": "K3 Bi1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-100888",
"created_at": "2022-09-04T14:36:40.309810Z",
"updated_at": "2022-09-04T14:36:40.309832Z",
"structure_string": "K3 Ce1 Br6\n1.0\n7.255464 -0.000000 4.188944\n2.418488 6.840517 4.188944\n-0.000000 -0.000000 8.377888\nK Ce Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.757144 0.242856 0.242856 Br\n0.242856 0.242856 0.757144 Br\n0.242856 0.757144 0.757144 Br\n0.242856 0.757144 0.242855 Br\n0.757144 0.242856 0.757144 Br\n0.757144 0.757144 0.242855 Br\n",
"nsites": 10,
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"elements": [
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"density": 2.9425958428479957,
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"volume": 415.8040051807102,
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{
"id": "jvasp-100887",
"created_at": "2022-09-04T14:36:37.369021Z",
"updated_at": "2022-09-04T14:36:37.369042Z",
"structure_string": "Rb2 Cu1 Pd1 F6\n1.0\n5.134731 -0.000000 2.964538\n1.711577 4.841071 2.964538\n-0.000000 -0.000000 5.929077\nRb Cu Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pd\n0.256156 0.256156 0.743844 F\n0.256157 0.743843 0.743844 F\n0.743844 0.743843 0.256157 F\n0.256157 0.743843 0.256157 F\n0.743844 0.256156 0.743844 F\n0.743844 0.256156 0.256157 F\n",
"nsites": 10,
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{
"id": "jvasp-100886",
"created_at": "2022-09-04T14:36:39.924338Z",
"updated_at": "2022-09-04T14:36:39.924359Z",
"structure_string": "Rb2 Y1 Cu1 F6\n1.0\n5.390046 -0.000000 3.111944\n1.796682 5.081784 3.111944\n-0.000000 -0.000000 6.223889\nRb Y Cu F\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.000000 Cu\n0.745927 0.254073 0.254072 F\n0.254073 0.254073 0.745927 F\n0.254073 0.745926 0.745926 F\n0.254073 0.745926 0.254073 F\n0.745927 0.254073 0.745926 F\n0.745927 0.745926 0.254072 F\n",
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"density_atomic": 0.058658302148979526,
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"formula_full": "Rb2 Y1 Cu1 F6",
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{
"id": "jvasp-100885",
"created_at": "2022-09-04T14:36:58.056508Z",
"updated_at": "2022-09-04T14:36:58.056530Z",
"structure_string": "K3 Tb1 Cl6\n1.0\n6.761299 -0.000000 3.903638\n2.253766 6.374614 3.903638\n-0.000000 -0.000000 7.807276\nTb K Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.762256 0.237744 0.237745 Cl\n0.237745 0.237744 0.762256 Cl\n0.237745 0.762255 0.762256 Cl\n0.237745 0.762255 0.237745 Cl\n0.762256 0.237744 0.762256 Cl\n0.762256 0.762255 0.237745 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.4127901127702103,
"density_atomic": 0.029717784788692216,
"volume": 336.49883634008467,
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"formula_full": "K3 Tb1 Cl6",
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{
"id": "jvasp-100884",
"created_at": "2022-09-04T14:36:39.079030Z",
"updated_at": "2022-09-04T14:36:39.079040Z",
"structure_string": "Li3 Sc1 F6\n1.0\n4.813820 -0.000000 2.779260\n1.604607 4.538513 2.779260\n-0.000000 -0.000000 5.558520\nLi Sc F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.253663 0.253663 0.746337 F\n0.253663 0.746337 0.746337 F\n0.746338 0.746337 0.253663 F\n0.253663 0.746337 0.253663 F\n0.746337 0.253663 0.746337 F\n0.746337 0.253663 0.253663 F\n",
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"elements": [
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"density_atomic": 0.08234503086210927,
"volume": 121.44023622682809,
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{
"id": "jvasp-100882",
"created_at": "2022-09-04T14:36:38.732524Z",
"updated_at": "2022-09-04T14:36:38.732548Z",
"structure_string": "K2 Tl1 Sb1 Br6\n1.0\n7.173564 -0.000000 4.141659\n2.391188 6.763301 4.141659\n-0.000000 -0.000000 8.283318\nK Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761006 0.238993 0.238994 Br\n0.238993 0.238993 0.761007 Br\n0.238994 0.761006 0.761007 Br\n0.238994 0.761006 0.238994 Br\n0.761006 0.238993 0.761007 Br\n0.761006 0.761006 0.238994 Br\n",
"nsites": 10,
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"formula_full": "K2 Tl1 Sb1 Br6",
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{
"id": "jvasp-100881",
"created_at": "2022-09-04T14:36:38.169396Z",
"updated_at": "2022-09-04T14:36:38.169417Z",
"structure_string": "K2 Na1 Ga1 Cl6\n1.0\n6.168198 -0.000000 3.561211\n2.056066 5.815433 3.561211\n-0.000000 -0.000000 7.122421\nK Na Ga Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.764030 0.235971 0.235970 Cl\n0.235971 0.235971 0.764029 Cl\n0.235971 0.764029 0.764029 Cl\n0.235971 0.764029 0.235970 Cl\n0.764030 0.235971 0.764029 Cl\n0.764030 0.764029 0.235970 Cl\n",
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{
"id": "jvasp-100880",
"created_at": "2022-09-04T14:36:55.193467Z",
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"structure_string": "K2 Y1 In1 F6\n1.0\n5.767347 -0.000000 3.329780\n1.922449 5.437507 3.329780\n-0.000000 -0.000000 6.659559\nK Y In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n0.770377 0.229624 0.229624 F\n0.229624 0.229624 0.770376 F\n0.229624 0.770377 0.770376 F\n0.229624 0.770377 0.229624 F\n0.770377 0.229624 0.770376 F\n0.770377 0.770377 0.229623 F\n",
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{
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"created_at": "2022-09-04T14:36:52.181030Z",
"updated_at": "2022-09-04T14:36:52.181050Z",
"structure_string": "K1 Cr1 P2 S7\n1.0\n6.227738 0.017499 -0.561267\n-0.643143 6.377786 -0.742095\n0.023156 0.021007 6.452869\nK Cr P S\n1 1 2 7\ndirect\n0.500001 0.898561 0.101440 K\n0.000001 0.499930 0.500071 Cr\n0.919776 0.951530 0.643037 P\n0.080226 0.356964 0.048472 P\n0.000001 0.021941 0.978059 S\n0.233168 0.474201 0.816306 S\n0.714140 0.687245 0.633179 S\n0.285861 0.366822 0.312757 S\n0.819107 0.491538 0.148020 S\n0.180894 0.851981 0.508463 S\n0.766833 0.183695 0.525800 S\n",
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