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{
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"structure_string": "Ca3 Cd1\n1.0\n5.072483 -0.000000 0.000000\n0.000000 5.072483 0.000000\n-0.000000 -0.000000 5.072483\nCa Cd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-24685",
"created_at": "2022-09-04T14:37:08.373884Z",
"updated_at": "2022-09-04T14:37:08.373903Z",
"structure_string": "Ca6 C6 Cl4\n1.0\n3.830388 -0.000000 -0.000000\n-1.915194 6.688267 0.000000\n0.000000 0.000000 11.515493\nCa C Cl\n6 6 4\ndirect\n0.344094 0.688187 0.560586 Ca\n0.655908 0.311814 0.439414 Ca\n0.655908 0.311814 0.060586 Ca\n0.344094 0.688187 0.939414 Ca\n0.878902 0.757801 0.250000 Ca\n0.121100 0.242199 0.750000 Ca\n0.733109 0.466217 0.635279 C\n0.266893 0.533784 0.364721 C\n0.266893 0.533784 0.135279 C\n0.733109 0.466217 0.864721 C\n0.256521 0.513042 0.250000 C\n0.743480 0.486958 0.750000 C\n0.470529 0.941055 0.750000 Cl\n0.529473 0.058945 0.250000 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 16,
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"elements": [
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"density": 2.557379502233101,
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"volume": 295.0114729254431,
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"formula_full": "Ca6 C6 Cl4",
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{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
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{
"id": "jvasp-19056",
"created_at": "2022-09-04T14:37:09.667880Z",
"updated_at": "2022-09-04T14:37:09.667902Z",
"structure_string": "Ca6 B4 O12\n1.0\n6.340843 -0.029365 0.471532\n0.435592 6.325931 0.471532\n-0.031603 -0.029365 6.358273\nCa B O\n6 4 12\ndirect\n0.608654 0.891345 0.249999 Ca\n0.891346 0.249999 0.608653 Ca\n0.391346 0.108653 0.750000 Ca\n0.750000 0.391345 0.108654 Ca\n0.108654 0.749999 0.391346 Ca\n0.250000 0.608653 0.891345 Ca\n0.382211 0.382210 0.382210 B\n0.117789 0.117789 0.117789 B\n0.882211 0.882209 0.882210 B\n0.617789 0.617788 0.617789 B\n0.781532 0.602092 0.462018 O\n0.462018 0.781531 0.602093 O\n0.602093 0.462017 0.781532 O\n0.718468 0.037980 0.897906 O\n0.102094 0.281531 0.962018 O\n0.962018 0.102092 0.281532 O\n0.537982 0.218467 0.397906 O\n0.397906 0.537981 0.218467 O\n0.218468 0.397906 0.537981 O\n0.897906 0.718467 0.037981 O\n0.037982 0.897906 0.718467 O\n0.281532 0.962018 0.102093 O\n",
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"volume": 255.29916601289483,
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"updated_at": "2022-09-04T14:36:51.255426Z",
"structure_string": "Ca3 B1 N3\n1.0\n3.552754 0.000000 0.000000\n0.000000 3.552754 0.000000\n0.000000 0.000000 8.110651\nCa B N\n3 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.722545 Ca\n0.499999 0.499999 0.277454 Ca\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.666479 N\n0.000000 0.000000 0.333521 N\n0.499999 0.499999 0.000000 N\n",
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"formula_full": "Ca3 B1 N3",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-36495",
"created_at": "2022-09-04T14:37:19.861529Z",
"updated_at": "2022-09-04T14:37:19.861557Z",
"structure_string": "Ca3 Bi1 Sb1\n1.0\n5.823953 -0.000000 0.000000\n-0.000000 5.823953 -0.000000\n-0.000000 -0.000000 5.823953\nCa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n",
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{
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"updated_at": "2022-09-04T14:37:31.950509Z",
"structure_string": "Ca3 Bi1 Sb1\n1.0\n5.771394 0.000000 0.000000\n0.000000 5.771394 0.000000\n0.000000 0.000000 5.771394\nCa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
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{
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{
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{
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