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{
"id": "jvasp-118566",
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"updated_at": "2022-09-04T14:38:45.529956Z",
"structure_string": "Rb1 I1 N1\n1.0\n5.893023 0.000000 -0.000000\n-2.946511 5.103507 0.000000\n-0.000000 0.000000 4.581868\nRb I N\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.000000 I\n0.333333 0.666666 0.000000 N\n",
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{
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"structure_string": "Rb1 I1 N1\n1.0\n3.992417 0.000000 0.000000\n0.000000 3.992417 0.000000\n0.000000 0.000000 7.833390\nRb I N\n1 1 1\ndirect\n0.000000 0.000000 0.690757 Rb\n0.000000 0.000000 0.256216 I\n0.000000 0.000000 0.008980 N\n",
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{
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"created_at": "2022-09-04T14:36:47.060945Z",
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"structure_string": "Rb4 I2 N6\n1.0\n6.250327 0.000000 0.000000\n0.000000 6.250327 0.000000\n0.000000 0.000000 7.972297\nRb I N\n4 2 6\ndirect\n0.000000 0.000000 0.261962 Rb\n0.000000 0.000000 0.738039 Rb\n0.500000 0.500000 0.738039 Rb\n0.500000 0.500000 0.261962 Rb\n0.500000 0.000000 0.000000 I\n0.000000 0.500000 0.000000 I\n0.865695 0.365695 0.500000 N\n0.634306 0.865695 0.500000 N\n0.365695 0.134306 0.500000 N\n0.134306 0.634306 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
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"formula_full": "Rb4 I2 N6",
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{
"id": "jvasp-1720",
"created_at": "2022-09-04T14:36:02.452566Z",
"updated_at": "2022-09-04T14:36:02.452595Z",
"structure_string": "Rb1 Ho1 Se2\n1.0\n4.058843 0.003290 7.210599\n1.892531 3.590619 7.210599\n0.005447 0.003290 8.274474\nRb Ho Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ho\n0.232303 0.232303 0.232303 Se\n0.767697 0.767697 0.767697 Se\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03323739352382055,
"volume": 120.34638026394227,
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"formula_full": "Rb1 Ho1 Se2",
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},
{
"id": "jvasp-1666",
"created_at": "2022-09-04T14:36:56.526001Z",
"updated_at": "2022-09-04T14:36:56.526026Z",
"structure_string": "Rb1 Ho1 S2\n1.0\n3.904760 0.001694 6.945132\n1.819831 3.454761 6.945132\n0.002806 0.001694 7.967560\nRb Ho S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 Ho\n0.768915 0.768912 0.768914 S\n0.231087 0.231086 0.231086 S\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:36:56.461211Z",
"updated_at": "2022-09-04T14:36:56.461232Z",
"structure_string": "Rb1 Ho1 O2\n1.0\n3.360965 0.002234 5.919234\n1.564990 2.974373 5.919234\n0.003697 0.002234 6.806864\nRb Ho O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499998 0.500000 Ho\n0.774583 0.774579 0.774581 O\n0.225419 0.225418 0.225419 O\n",
"nsites": 4,
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{
"id": "jvasp-50937",
"created_at": "2022-09-04T14:35:52.860035Z",
"updated_at": "2022-09-04T14:35:52.860063Z",
"structure_string": "Rb6 Ho2 O6\n1.0\n3.852630 6.081893 0.136631\n-3.852630 6.081893 -0.136631\n-1.413868 0.000000 7.019312\nRb Ho O\n6 2 6\ndirect\n0.360934 0.639065 0.638951 Rb\n0.799384 0.799385 0.500000 Rb\n0.200615 0.200615 0.500000 Rb\n0.259000 0.259000 -0.000000 Rb\n0.741000 0.741000 0.000000 Rb\n0.639065 0.360935 0.361048 Rb\n0.180510 0.819489 0.146340 Ho\n0.819489 0.180511 0.853660 Ho\n0.097841 0.902159 0.837491 O\n0.169111 0.548601 0.268002 O\n0.451399 0.830889 0.268002 O\n0.548601 0.169111 0.731997 O\n0.830889 0.451399 0.731997 O\n0.902158 0.097841 0.162509 O\n",
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"elements": [
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"volume": 331.29275616035545,
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"formula_full": "Rb6 Ho2 O6",
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"spacegroup": 12
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{
"id": "jvasp-38308",
"created_at": "2022-09-04T14:38:06.455165Z",
"updated_at": "2022-09-04T14:38:06.455175Z",
"structure_string": "Rb1 Ho1 O3\n1.0\n4.469846 -0.000000 -0.000000\n0.000000 4.469846 0.000000\n0.000000 0.000000 4.469846\nRb Ho O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Rb1 Ho1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-110072",
"created_at": "2022-09-04T14:38:20.594779Z",
"updated_at": "2022-09-04T14:38:20.594800Z",
"structure_string": "Rb3 Ho1 Cl6\n1.0\n6.895202 -0.000000 3.980947\n2.298401 6.500859 3.980947\n-0.000000 -0.000000 7.961894\nRb Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n0.768693 0.231307 0.231307 Cl\n0.231307 0.768693 0.768693 Cl\n0.231307 0.768693 0.231307 Cl\n0.768693 0.231307 0.768693 Cl\n0.231307 0.231307 0.768693 Cl\n0.768693 0.768693 0.231307 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.9501197899476495,
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"volume": 356.8897964389466,
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"formula_full": "Rb3 Ho1 Cl6",
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},
{
"id": "jvasp-81079",
"created_at": "2022-09-04T14:37:18.215106Z",
"updated_at": "2022-09-04T14:37:18.215126Z",
"structure_string": "Rb2 Hg1 Te1\n1.0\n-14.190831 3.591013 -2.328982\n-10.348295 0.833689 1.442844\n-8.600071 5.778414 -1.585171\nRb Hg Te\n2 1 1\ndirect\n0.749802 0.000164 0.000163 Rb\n0.250198 -0.000163 -0.000164 Rb\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-76760",
"created_at": "2022-09-04T14:37:15.833774Z",
"updated_at": "2022-09-04T14:37:15.833799Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-7.376140 -4.360764 -11.379716\n-4.650971 -3.006408 -1.777161\n-2.971597 1.743578 -4.685924\nRb Hg Se\n2 1 1\ndirect\n0.749969 0.000076 0.000078 Rb\n0.250032 -0.000077 -0.000077 Rb\n0.500000 -0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-119037",
"created_at": "2022-09-04T14:38:33.110334Z",
"updated_at": "2022-09-04T14:38:33.110364Z",
"structure_string": "Rb12 Hg2 S8\n1.0\n10.404937 -0.000000 0.000000\n-5.202468 9.010939 0.000000\n-0.000000 -0.000000 7.905834\nRb Hg S\n12 2 8\ndirect\n0.148240 0.296479 0.203068 Rb\n0.055302 0.527650 0.880023 Rb\n0.472350 0.944698 0.880023 Rb\n0.944699 0.472350 0.380024 Rb\n0.527650 0.472350 0.380024 Rb\n0.527651 0.055302 0.380024 Rb\n0.472350 0.527650 0.880023 Rb\n0.851761 0.148240 0.703068 Rb\n0.851761 0.703521 0.703068 Rb\n0.703521 0.851760 0.203068 Rb\n0.148240 0.851760 0.203068 Rb\n0.296479 0.148240 0.703068 Rb\n0.333333 0.666667 0.501754 Hg\n0.666667 0.333333 0.001754 Hg\n0.192271 0.807729 0.603003 S\n0.333333 0.666667 0.162940 S\n0.666667 0.333333 0.662940 S\n0.807729 0.615457 0.103003 S\n0.807729 0.192271 0.103003 S\n0.384543 0.192271 0.103003 S\n0.192271 0.384543 0.603003 S\n0.615457 0.807729 0.603003 S\n",
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}