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{
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"density": 4.963886520455705,
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"volume": 109.6190250641293,
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"formula_full": "Sr1 Ca1 Cr2 O6",
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{
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"created_at": "2022-09-04T14:38:26.972545Z",
"updated_at": "2022-09-04T14:38:26.972575Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n5.377570 -0.000000 0.000000\n0.000000 5.377570 0.000000\n-0.000000 -0.000000 3.791650\nSr Ca Cr O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.253318 0.253318 -0.000000 O\n0.746682 0.746682 -0.000000 O\n0.253318 0.746682 -0.000000 O\n0.746682 0.253318 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"volume": 109.64791713509412,
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"formula_full": "Sr1 Ca1 Cr2 O6",
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:36:56.685344Z",
"updated_at": "2022-09-04T14:36:56.685366Z",
"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n4.646997 -0.019302 -2.153144\n-1.903621 4.239243 -2.153144\n0.012548 0.019302 5.121567\nSr Ca Cu O\n1 1 2 4\ndirect\n0.500000 0.500000 0.000001 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.749999 0.500001 Cu\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.500001 O\n0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000001 O\n",
"nsites": 8,
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"volume": 101.09270115225836,
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"formula_full": "Sr1 Ca1 Cu2 O4",
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"spacegroup": 139
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{
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"created_at": "2022-09-04T14:36:53.171953Z",
"updated_at": "2022-09-04T14:36:53.171964Z",
"structure_string": "Sr1 Ca1 Cu2 O4\n1.0\n8.210021 -0.027883 0.000000\n-7.475219 3.395044 0.000000\n-0.000000 -0.000000 3.915878\nSr Ca Cu O\n1 1 2 4\ndirect\n0.670382 0.329618 0.500000 Sr\n0.331339 0.668660 -0.000000 Ca\n0.937065 0.062936 0.500000 Cu\n0.061797 0.938201 -0.000000 Cu\n0.054818 0.945179 0.500000 O\n0.940374 0.059627 -0.000000 O\n0.820323 0.179678 0.500000 O\n0.183900 0.816098 -0.000000 O\n",
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"volume": 108.3325730097835,
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"formula_full": "Sr1 Ca1 Cu2 O4",
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{
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"updated_at": "2022-09-04T14:38:29.600887Z",
"structure_string": "Sr1 Ca1 Hg2\n1.0\n-0.000000 3.861462 3.861462\n3.861462 0.000000 3.861462\n3.861462 3.861462 -0.000000\nSr Ca Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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"density": 7.626395214609331,
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"formula_full": "Sr1 Ca1 Hg2",
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"spacegroup": 225
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{
"id": "jvasp-100874",
"created_at": "2022-09-04T14:36:50.638351Z",
"updated_at": "2022-09-04T14:36:50.638366Z",
"structure_string": "Sr1 Ca1 I4\n1.0\n4.600020 -0.000000 0.000000\n0.000000 6.964293 0.021678\n-0.000000 0.001911 8.008578\nSr Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.254013 0.654974 I\n0.500000 0.263136 0.178863 I\n0.500000 0.736864 0.821137 I\n-0.000000 0.745986 0.345027 I\n",
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"elements": [
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"density": 4.111941873649531,
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"volume": 256.5617099628472,
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"formula_full": "Sr1 Ca1 I4",
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{
"id": "jvasp-37602",
"created_at": "2022-09-04T14:38:31.490432Z",
"updated_at": "2022-09-04T14:38:31.490473Z",
"structure_string": "Sr1 Ca1 In2\n1.0\n0.000004 3.941562 3.941558\n3.941553 0.000008 3.941555\n3.941559 3.941563 0.000002\nSr Ca In\n1 1 2\ndirect\n0.750001 0.750000 0.749998 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.499999 In\n",
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{
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"created_at": "2022-09-04T14:36:52.334940Z",
"updated_at": "2022-09-04T14:36:52.334969Z",
"structure_string": "Sr1 Ca1 Mg2\n1.0\n-11.778713 0.000000 -6.800444\n-7.682215 0.321369 -0.294900\n-6.638471 3.273523 -2.102718\nSr Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.757038 0.000000 -0.000000 Mg\n0.242962 0.000000 -0.000000 Mg\n",
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{
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"created_at": "2022-09-04T14:37:31.449973Z",
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"structure_string": "Sr1 Ca1 O2\n1.0\n3.544529 0.000000 -0.000000\n0.000000 3.544529 -0.000000\n0.000000 -0.000000 5.007942\nSr Ca O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
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