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{
"id": "jvasp-14107",
"created_at": "2022-09-04T14:35:52.954981Z",
"updated_at": "2022-09-04T14:35:52.955002Z",
"structure_string": "Cu1 Br2\n1.0\n3.370698 -0.000000 0.955429\n1.700430 3.638886 0.424511\n0.064036 -0.212612 6.197609\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.253476 0.243389 0.249659 Br\n0.746525 0.756613 0.750341 Br\n",
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{
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"structure_string": "Cu1 Br2 N2\n1.0\n0.234046 0.000000 3.873134\n-3.471218 3.733911 0.130056\n-3.471218 -3.733911 0.130056\nCu Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.633612 0.265597 0.265597 Br\n0.366389 0.734403 0.734403 Br\n0.000001 0.251963 0.748038 N\n0.000001 0.748038 0.251963 N\n",
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{
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"structure_string": "Cu1 Br2 N6\n1.0\n-4.058108 -4.058108 0.000000\n-4.058108 -0.000000 -4.058108\n0.000000 -4.058108 -4.058108\nCu Br N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.650754 0.349247 0.349247 N\n0.650754 0.349247 0.650754 N\n0.650754 0.650754 0.349247 N\n0.349247 0.650754 0.650754 N\n0.349247 0.650754 0.349247 N\n0.349247 0.349247 0.650754 N\n",
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"formula_full": "Cu1 Br2 N6",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-36807",
"created_at": "2022-09-04T14:38:08.239103Z",
"updated_at": "2022-09-04T14:38:08.239124Z",
"structure_string": "Cu2 Br2 O4\n1.0\n-3.655872 0.110594 -0.003382\n0.194481 6.492100 -0.008295\n-0.067041 -2.206923 -6.105297\nCu Br O\n2 2 4\ndirect\n0.479682 0.102107 0.311849 Cu\n0.979315 0.740796 0.672723 Cu\n0.479154 0.591802 0.821881 Br\n-0.020160 0.251212 0.162843 Br\n0.179828 0.101644 0.554910 O\n0.779312 0.859048 0.312024 O\n0.278637 0.983869 0.672547 O\n0.680270 0.741271 0.429671 O\n",
"nsites": 8,
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"elements": [
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"volume": 145.10315126009502,
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"formula_full": "Cu2 Br2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 20
},
{
"id": "jvasp-30508",
"created_at": "2022-09-04T14:37:13.426500Z",
"updated_at": "2022-09-04T14:37:13.426530Z",
"structure_string": "Cu1 Br1 O2\n1.0\n1.269745 2.470907 1.186947\n0.037483 -0.231685 -3.402308\n-5.539154 2.383508 0.963722\nCu Br O\n1 1 2\ndirect\n0.500001 -0.000000 -0.000000 Cu\n0.000001 0.000001 0.500000 Br\n0.088877 0.177751 0.836081 O\n0.911128 0.822251 0.163918 O\n",
"nsites": 4,
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"elements": [
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"density": 5.290022252117821,
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"formula_full": "Cu1 Br1 O2",
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},
{
"id": "jvasp-78873",
"created_at": "2022-09-04T14:37:18.731132Z",
"updated_at": "2022-09-04T14:37:18.731166Z",
"structure_string": "Cu1 Br1 O2\n1.0\n-3.089074 -0.000000 0.820134\n-1.653408 2.735185 0.000000\n-3.082307 0.004090 -5.382019\nCu Br O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n0.887084 0.887087 0.338743 O\n0.112914 0.112914 0.661258 O\n",
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"formula_full": "Cu1 Br1 O2",
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},
{
"id": "jvasp-12060",
"created_at": "2022-09-04T14:37:06.899353Z",
"updated_at": "2022-09-04T14:37:06.899378Z",
"structure_string": "Cu2 Br2 O4\n1.0\n-0.000000 -0.000000 3.753260\n6.360810 0.143604 -0.000000\n-2.518748 5.842639 0.000000\nCu Br O\n2 2 4\ndirect\n0.500000 0.264690 0.264690 Cu\n0.000000 0.735309 0.735309 Cu\n0.750000 0.641191 0.358808 Br\n0.250000 0.358808 0.641191 Br\n0.214373 -0.002230 0.183142 O\n0.285628 0.816858 0.002230 O\n0.785628 0.183142 -0.002230 O\n0.714373 0.002230 0.816858 O\n",
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"elements": [
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"density": 4.1370710700050894,
"density_atomic": 0.05680067193689377,
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"formula_full": "Cu2 Br2 O4",
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{
"id": "jvasp-113998",
"created_at": "2022-09-04T14:38:49.575813Z",
"updated_at": "2022-09-04T14:38:49.575848Z",
"structure_string": "Cu1 B1 S2\n1.0\n3.096073 0.000000 0.000000\n0.000000 3.096073 0.000000\n0.000000 0.000000 5.646093\nCu B S\n1 1 2\ndirect\n0.500000 0.500000 0.481961 Cu\n0.000000 0.000000 0.972967 B\n0.000000 0.000000 0.643093 S\n0.500000 0.500000 0.079539 S\n",
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"formula_full": "Cu1 B1 S2",
"formula_reduced": "CuBS2",
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"spacegroup": 99
},
{
"id": "jvasp-3207",
"created_at": "2022-09-04T14:36:09.576084Z",
"updated_at": "2022-09-04T14:36:09.576123Z",
"structure_string": "Cu2 B2 S4\n1.0\n4.515245 0.000000 -2.217426\n-1.088973 4.381960 -2.217426\n0.022447 0.028709 5.751515\nCu B S\n2 2 4\ndirect\n0.250001 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000001 B\n0.750000 0.250000 0.500000 B\n0.819030 0.875000 0.249999 S\n0.625000 0.180970 0.750000 S\n0.430969 0.375000 0.250000 S\n0.125001 0.569031 0.750001 S\n",
"nsites": 8,
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"formula_full": "Cu2 B2 S4",
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"spacegroup": 122
},
{
"id": "jvasp-113432",
"created_at": "2022-09-04T14:38:45.831662Z",
"updated_at": "2022-09-04T14:38:45.831688Z",
"structure_string": "Cu1 B1 S2\n1.0\n1.585993 0.915674 6.214525\n-1.585993 0.915674 6.214525\n-0.000000 -1.831347 6.214525\nCu B S\n1 1 2\ndirect\n0.845806 0.845806 0.845810 Cu\n0.007520 0.007520 0.007520 B\n0.728073 0.728073 0.728077 S\n0.265597 0.265597 0.265598 S\n",
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"formula_full": "Cu1 B1 S2",
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},
{
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"created_at": "2022-09-04T14:38:14.681626Z",
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"structure_string": "Cu2 B2 Se4\n1.0\n5.339934 -0.000053 -0.000037\n-0.000052 5.340032 -0.000015\n-2.669975 -2.670004 4.843400\nCu B Se\n2 2 4\ndirect\n0.000021 0.000031 0.000064 Cu\n0.250026 0.750017 0.500034 Cu\n0.499970 0.499976 -0.000050 B\n0.749983 0.249983 0.499959 B\n0.826403 0.874975 0.250000 Se\n0.423595 0.375014 0.249994 Se\n0.625021 0.173599 0.749998 Se\n0.124978 0.576408 0.749997 Se\n",
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{
"id": "jvasp-63144",
"created_at": "2022-09-04T14:35:51.703727Z",
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"structure_string": "Cu2 B2 Se4\n1.0\n-2.670086 2.670086 4.843526\n2.670086 -2.670086 4.843526\n2.670086 2.670086 -4.843526\nCu B Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.000000 B\n0.250000 0.750001 0.500001 B\n0.576401 0.625001 0.451401 Se\n0.173600 0.125000 0.548600 Se\n0.875001 0.423600 0.048600 Se\n0.375000 0.826402 0.951402 Se\n",
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