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{
"id": "mp-1111137",
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"structure_string": "K2 Tl1 Ga1 Br6\n1.0\n0.000000 5.694975 5.694975\n5.694975 0.000000 5.694975\n5.694975 5.694975 0.000000\nK Tl Ga 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 Ga\n0.773972 0.226028 0.226028 Br\n0.226028 0.226028 0.773972 Br\n0.226028 0.773972 0.773972 Br\n0.226028 0.773972 0.226028 Br\n0.773972 0.226028 0.773972 Br\n0.773972 0.773972 0.226028 Br\n",
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{
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{
"id": "mp-1063752",
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"structure_string": "B2 Rh2\n1.0\n1.490926 -2.582360 0.000000\n1.490926 2.582360 0.000000\n0.000000 0.000000 5.555582\nB Rh\n2 2\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 42.77917768747208,
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"formula_full": "B2 Rh2",
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"spacegroup": 194
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{
"id": "mp-613402",
"created_at": "2022-09-04T14:39:21.208426Z",
"structure_string": "Sr1 Zr1 O3\n1.0\n4.405374 0.000000 0.000000\n0.000000 4.405374 0.000000\n0.000000 0.000000 4.405374\nSr Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\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": "Sr1 Zr1 O3",
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"spacegroup": 221
},
{
"id": "mp-1147540",
"created_at": "2022-09-04T14:41:59.351898Z",
"structure_string": "Ba2 Cu1 S2 Br2\n1.0\n0.001757 -3.591226 -3.590931\n0.001750 -3.591221 3.590927\n-7.709484 3.594994 0.000009\nBa Cu S Br\n2 1 2 2\ndirect\n0.650000 0.650001 0.300018 Ba\n0.350000 0.349999 0.699982 Ba\n0.000000 0.000000 0.000000 Cu\n0.844206 0.844206 0.688097 S\n0.155794 0.155794 0.311903 S\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
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"volume": 198.7950955416671,
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"formula_full": "Ba2 Cu1 S2 Br2",
"formula_reduced": "Ba2Cu(SBr)2",
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{
"id": "mp-1183923",
"created_at": "2022-09-04T14:39:08.813376Z",
"structure_string": "Cs1 Ac1 O3\n1.0\n4.870277 0.000000 0.000000\n0.000000 4.870277 0.000000\n0.000000 0.000000 4.870277\nCs Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.499999 0.499999 0.499999 Ac\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"density_atomic": 0.043282168983802445,
"volume": 115.52101286493193,
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"updated_at": "2021-11-28T01:34:41.809000Z",
"spacegroup": 221
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{
"id": "mp-1215708",
"created_at": "2022-09-04T14:41:45.177849Z",
"structure_string": "Y1 U1 Sb2\n1.0\n7.445038 -2.170854 0.000000\n7.445038 2.170854 0.000000\n6.812052 0.000000 3.706366\nY U Sb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 U\n0.249516 0.249516 0.249516 Sb\n0.750484 0.750484 0.750484 Sb\n",
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"spacegroup": 166
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{
"id": "mp-4865",
"created_at": "2022-09-04T14:42:14.622582Z",
"structure_string": "Er1 Ni2 Ge2\n1.0\n-2.022392 2.022392 4.892967\n2.022392 -2.022392 4.892967\n2.022392 2.022392 -4.892967\nEr Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.627579 0.627579 0.000000 Ge\n0.372421 0.372421 0.000000 Ge\n",
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"formula_full": "Er1 Ni2 Ge2",
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{
"id": "mp-998350",
"created_at": "2022-09-04T14:43:47.473742Z",
"structure_string": "Ba1 Zr1 Se3\n1.0\n5.287383 0.000000 0.000000\n0.003576 5.296392 0.000000\n0.007950 0.010054 5.309462\nBa Zr Se\n1 1 3\ndirect\n0.998643 0.998478 0.998673 Ba\n0.476578 0.490069 0.476727 Zr\n0.488317 0.998506 0.502693 Se\n0.983845 0.511636 0.518540 Se\n0.492614 0.501310 0.993370 Se\n",
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{
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{
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{
"id": "mp-1111995",
"created_at": "2022-09-04T14:42:14.508831Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n0.000000 5.673090 5.673090\n5.673090 0.000000 5.673090\n5.673090 5.673090 0.000000\nK Bi Au Br\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 Bi\n0.500000 0.500000 0.500000 Au\n0.746734 0.253266 0.253266 Br\n0.253266 0.253266 0.746734 Br\n0.253266 0.746734 0.746734 Br\n0.253266 0.746734 0.253266 Br\n0.746734 0.253266 0.746734 Br\n0.746734 0.746734 0.253266 Br\n",
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"formula_full": "K2 Bi1 Au1 Br6",
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"updated_at": "2021-11-28T01:35:39.462000Z",
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}
]
}