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"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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{
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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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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-107031",
"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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"elements": [
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"chemical_system": "Ca-Cu-O-Sr",
"density": 5.236374710676414,
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"volume": 101.09270115225836,
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"formula_full": "Sr1 Ca1 Cu2 O4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 139
},
{
"id": "jvasp-109146",
"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",
"nsites": 10,
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"elements": [
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"density": 4.962578543383659,
"density_atomic": 0.09120100282141502,
"volume": 109.64791713509412,
"volume_molar": 6.603151910283526,
"formula_full": "Sr1 Ca1 Cr2 O6",
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{
"id": "jvasp-104693",
"created_at": "2022-09-04T14:36:53.403454Z",
"updated_at": "2022-09-04T14:36:53.403485Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n3.803405 -0.000000 0.000000\n0.000000 3.803405 0.000000\n-0.000000 -0.000000 7.577759\nSr Ca Cr O\n1 1 2 6\ndirect\n0.499999 0.499999 -0.000000 Sr\n0.499999 0.499999 0.500000 Ca\n0.000000 0.000000 0.253389 Cr\n0.000000 0.000000 0.746611 Cr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.743336 O\n0.499999 0.000000 0.256664 O\n-0.000000 0.499999 0.256664 O\n-0.000000 0.499999 0.743336 O\n",
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"density": 4.963886520455705,
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"volume": 109.6190250641293,
"volume_molar": 6.601411989101546,
"formula_full": "Sr1 Ca1 Cr2 O6",
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{
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"created_at": "2022-09-04T14:36:12.779179Z",
"updated_at": "2022-09-04T14:36:12.779195Z",
"structure_string": "Sr1 Ca1 Be2\n1.0\n5.145759 -0.000000 -0.000000\n0.000000 5.145759 -0.000000\n-0.000000 0.000000 3.611368\nSr Ca Be\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
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"elements": [
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"volume": 95.62481987397096,
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"formula_full": "Sr1 Ca1 Be2",
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{
"id": "jvasp-69935",
"created_at": "2022-09-04T14:36:04.576470Z",
"updated_at": "2022-09-04T14:36:04.576493Z",
"structure_string": "Sr1 Ca1 Be1\n1.0\n2.103508 -3.643383 -0.000000\n2.103508 3.643383 -0.000000\n-0.000000 0.000000 7.051701\nSr Ca Be\n1 1 1\ndirect\n0.333334 0.666667 0.741947 Sr\n0.666667 0.333334 0.244071 Ca\n0.000000 -0.000000 0.013981 Be\n",
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"elements": [
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"volume": 108.08685509240071,
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"formula_full": "Sr1 Ca1 Be1",
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{
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"created_at": "2022-09-04T14:36:55.523982Z",
"updated_at": "2022-09-04T14:36:55.524003Z",
"structure_string": "Sr1 Ca1 Al4\n1.0\n4.999904 -0.000000 2.886696\n1.666635 4.713955 2.886696\n0.000000 -0.000000 5.773392\nSr Ca Al\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.749999 0.749999 0.750002 Ca\n0.625603 0.124799 0.124800 Al\n0.124799 0.625603 0.124800 Al\n0.124799 0.124799 0.625604 Al\n0.124799 0.124799 0.124799 Al\n",
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"volume": 136.07493773783182,
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"formula_full": "Sr1 Ca1 Al4",
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{
"id": "jvasp-80871",
"created_at": "2022-09-04T14:37:09.543886Z",
"updated_at": "2022-09-04T14:37:09.543913Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-12.452187 2.380669 -3.301667\n-9.252249 0.244247 0.417955\n-7.704697 4.621401 -2.262495\nSr Ca Ag\n1 1 2\ndirect\n0.500001 -0.000000 -0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.749487 0.000249 0.000248 Ag\n0.250514 -0.000250 -0.000249 Ag\n",
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{
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"created_at": "2022-09-04T14:36:56.185828Z",
"updated_at": "2022-09-04T14:36:56.185852Z",
"structure_string": "Sr1 Ca1\n1.0\n4.001410 0.593015 0.000000\n-0.605693 3.999510 0.000000\n-0.000000 -0.000000 5.642201\nSr Ca\n1 1\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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{
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"structure_string": "Sr1 Ca1\n1.0\n3.855092 -0.002116 5.794590\n1.749879 3.435063 5.794590\n-0.003455 -0.002116 6.959812\nSr Ca\n1 1\ndirect\n0.500000 0.499998 0.500001 Sr\n0.000000 0.000000 0.000000 Ca\n",
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