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{
"id": "jvasp-105089",
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"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n4.643403 0.038970 -7.086702\n-0.381116 4.627900 -7.086702\n-0.035591 -0.038970 8.472383\nBa Cu S Cl\n2 1 2 2\ndirect\n0.354755 0.354756 -0.000000 Ba\n0.645244 0.645245 -0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.157407 0.157407 -0.000000 S\n0.842592 0.842593 -0.000001 S\n0.500000 -0.000000 0.500000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
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"structure_string": "K1 Cu1 I1 O6\n1.0\n5.131521 -0.000000 0.000000\n-2.565760 4.444028 0.000000\n-0.000000 -0.000000 5.877180\nK Cu I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 I\n0.386267 0.007875 0.685776 O\n0.992125 0.378391 0.685776 O\n0.621609 0.613733 0.685776 O\n0.992125 0.613733 0.314224 O\n0.621609 0.007875 0.314224 O\n0.386267 0.378391 0.314224 O\n",
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{
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"updated_at": "2022-09-04T14:36:53.155375Z",
"structure_string": "Tl2 Cl3\n1.0\n4.261641 -0.095154 7.610874\n1.912239 3.809722 7.610874\n-0.158153 -0.095154 8.721351\nTl Cl\n2 3\ndirect\n0.595742 0.595743 0.595741 Tl\n0.404258 0.404258 0.404257 Tl\n0.000000 0.000000 0.000000 Cl\n0.211487 0.211488 0.211487 Cl\n0.788513 0.788514 0.788511 Cl\n",
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{
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"created_at": "2022-09-04T14:36:53.747459Z",
"updated_at": "2022-09-04T14:36:53.747478Z",
"structure_string": "Rb2 In2 F6\n1.0\n5.682228 -0.000000 3.280636\n1.894076 5.357256 3.280636\n-0.000000 -0.000000 6.561272\nRb In F\n2 2 6\ndirect\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.773300 0.226701 0.226701 F\n0.226701 0.226701 0.773300 F\n0.226701 0.773300 0.773300 F\n0.226701 0.773300 0.226700 F\n0.773300 0.226701 0.773300 F\n0.773300 0.773300 0.226701 F\n",
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"volume": 199.73266544703304,
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"formula_full": "Rb2 In2 F6",
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{
"id": "jvasp-105081",
"created_at": "2022-09-04T14:36:52.634571Z",
"updated_at": "2022-09-04T14:36:52.634582Z",
"structure_string": "K1 Rb2 Al1 Cl6\n1.0\n6.406107 -0.000000 3.698568\n2.135369 6.039735 3.698568\n-0.000000 -0.000000 7.397135\nK Rb Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.777061 0.222939 0.222939 Cl\n0.222939 0.222939 0.777062 Cl\n0.222939 0.777062 0.777062 Cl\n0.222939 0.777062 0.222939 Cl\n0.777061 0.222939 0.777062 Cl\n0.777061 0.777062 0.222939 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 286.2039458406574,
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"formula_full": "K1 Rb2 Al1 Cl6",
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{
"id": "jvasp-105080",
"created_at": "2022-09-04T14:36:47.187522Z",
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"structure_string": "K1 Rb2 Al1 Br6\n1.0\n6.797185 -0.000000 3.924357\n2.265728 6.408448 3.924357\n-0.000000 -0.000000 7.848714\nK Rb Al Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.773763 0.226238 0.226238 Br\n0.226238 0.226238 0.773762 Br\n0.226238 0.773762 0.773762 Br\n0.226238 0.773762 0.226238 Br\n0.773763 0.226238 0.773762 Br\n0.773763 0.773762 0.226238 Br\n",
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{
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"created_at": "2022-09-04T14:36:52.015916Z",
"updated_at": "2022-09-04T14:36:52.015935Z",
"structure_string": "Rb3 Sm1 Cl6\n1.0\n6.990326 -0.000000 4.035867\n2.330109 6.590542 4.035867\n-0.000000 -0.000000 8.071733\nRb Sm Cl\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sm\n0.765529 0.234472 0.234472 Cl\n0.234472 0.234472 0.765528 Cl\n0.234472 0.765528 0.765528 Cl\n0.234472 0.765528 0.234472 Cl\n0.765529 0.234472 0.765528 Cl\n0.765529 0.765528 0.234472 Cl\n",
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"formula_full": "Rb3 Sm1 Cl6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-105078",
"created_at": "2022-09-04T14:36:53.383789Z",
"updated_at": "2022-09-04T14:36:53.383813Z",
"structure_string": "Rb2 Tl1 Sb1 Cl6\n1.0\n6.865110 -0.000000 3.963573\n2.288370 6.472488 3.963573\n-0.000000 -0.000000 7.927147\nRb Tl Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.763816 0.236184 0.236184 Cl\n0.236184 0.236184 0.763816 Cl\n0.236184 0.763816 0.763815 Cl\n0.236184 0.763816 0.236184 Cl\n0.763816 0.236184 0.763816 Cl\n0.763815 0.763816 0.236184 Cl\n",
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"formula_full": "Rb2 Tl1 Sb1 Cl6",
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{
"id": "jvasp-105077",
"created_at": "2022-09-04T14:36:46.379768Z",
"updated_at": "2022-09-04T14:36:46.379790Z",
"structure_string": "Rb2 Na1 Nd1 Br6\n1.0\n6.960519 -0.000000 4.018658\n2.320173 6.562440 4.018658\n-0.000000 -0.000000 8.037315\nRb Na Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Nd\n0.748467 0.251533 0.251533 Br\n0.251533 0.251533 0.748468 Br\n0.251532 0.748467 0.748468 Br\n0.251532 0.748467 0.251533 Br\n0.748467 0.251533 0.748468 Br\n0.748467 0.748467 0.251533 Br\n",
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{
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"created_at": "2022-09-04T14:38:42.684900Z",
"updated_at": "2022-09-04T14:38:42.684910Z",
"structure_string": "Rb3 Eu1 Cl6\n1.0\n6.988861 -0.000000 4.035021\n2.329620 6.589161 4.035021\n-0.000000 -0.000000 8.070041\nRb Eu Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Eu\n0.765142 0.234858 0.234858 Cl\n0.234858 0.234858 0.765142 Cl\n0.234858 0.765142 0.765142 Cl\n0.234858 0.765142 0.234858 Cl\n0.765142 0.234858 0.765142 Cl\n0.765142 0.765142 0.234858 Cl\n",
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{
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"created_at": "2022-09-04T14:36:52.644967Z",
"updated_at": "2022-09-04T14:36:52.644978Z",
"structure_string": "Rb2 Tl1 Ga1 Cl6\n1.0\n6.546357 -0.000000 3.779541\n2.182119 6.171964 3.779541\n-0.000000 -0.000000 7.559081\nRb Tl Ga Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.776710 0.223290 0.223290 Cl\n0.223291 0.223290 0.776709 Cl\n0.223291 0.776709 0.776709 Cl\n0.223291 0.776709 0.223290 Cl\n0.776710 0.223290 0.776709 Cl\n0.776710 0.776709 0.223290 Cl\n",
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{
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"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
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