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{
"id": "jvasp-13927",
"created_at": "2022-09-04T14:38:16.033897Z",
"updated_at": "2022-09-04T14:38:16.033917Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.065712 0.000000 0.000000\n0.000000 6.065712 -0.000000\n0.000000 0.000000 6.636317\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239190 Au\n0.000000 0.500000 0.760810 Au\n0.000000 0.500000 0.053213 F\n0.500000 0.000000 0.946787 F\n0.000000 0.500000 0.471644 F\n0.255903 0.207591 0.227174 F\n0.207591 0.744097 0.772826 F\n0.792409 0.255903 0.772826 F\n0.744097 0.792409 0.227174 F\n0.744097 0.207591 0.227174 F\n0.207591 0.255903 0.772826 F\n0.792409 0.744097 0.772826 F\n0.255903 0.792409 0.227174 F\n0.500000 0.000000 0.528357 F\n",
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{
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"structure_string": "Ca1 Au2 F12\n1.0\n6.070440 0.000000 0.000000\n0.000000 6.070440 0.000000\n0.000000 -0.000000 6.619071\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239416 Au\n0.000000 0.500000 0.760584 Au\n0.000000 0.500000 0.053718 F\n0.500000 0.000000 0.946282 F\n0.000000 0.500000 0.470670 F\n0.256064 0.207412 0.227442 F\n0.207412 0.743936 0.772558 F\n0.792588 0.256064 0.772558 F\n0.743936 0.792588 0.227442 F\n0.743936 0.207412 0.227442 F\n0.207412 0.256064 0.772558 F\n0.792588 0.743936 0.772558 F\n0.256064 0.792588 0.227442 F\n0.500000 0.000000 0.529330 F\n",
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{
"id": "jvasp-116453",
"created_at": "2022-09-04T14:38:42.190978Z",
"updated_at": "2022-09-04T14:38:42.190996Z",
"structure_string": "Ca1 Au1 F1\n1.0\n4.760456 -0.000000 0.000000\n-2.380228 4.122676 -0.000000\n-0.000000 -0.000000 3.912472\nCa Au F\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Ca\n0.000000 0.000000 0.000000 Au\n0.666668 0.333334 0.000000 F\n",
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"volume": 76.785462229356,
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"spacegroup": 187
},
{
"id": "jvasp-94896",
"created_at": "2022-09-04T14:36:19.576199Z",
"updated_at": "2022-09-04T14:36:19.576225Z",
"structure_string": "Ca1 Cd2 Au4\n1.0\n-0.000000 0.000000 -5.596504\n-3.601473 3.601473 -2.798252\n3.601473 3.601473 -2.798252\nCa Cd Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.500000 0.500000 Cd\n0.749999 0.500000 0.500000 Cd\n0.697226 0.000000 0.605547 Au\n0.302774 0.000000 0.394452 Au\n0.697226 0.605547 0.000000 Au\n0.302774 0.394452 0.000000 Au\n",
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"elements": [
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"density": 12.041315099223192,
"density_atomic": 0.048215969013113064,
"volume": 145.18011653143887,
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"formula_full": "Ca1 Cd2 Au4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-104759",
"created_at": "2022-09-04T14:36:55.292026Z",
"updated_at": "2022-09-04T14:36:55.292055Z",
"structure_string": "Ca4 Cd3 Au1\n1.0\n3.731226 -0.000000 0.000000\n0.000000 3.731226 0.000000\n-0.000000 -0.000000 15.168946\nCa Cd Au\n4 3 1\ndirect\n0.500001 0.500001 0.113598 Ca\n0.500001 0.500001 0.371911 Ca\n0.500001 0.500001 0.628090 Ca\n0.500001 0.500001 0.886403 Ca\n0.000000 0.000000 0.245146 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.754854 Cd\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-39925",
"created_at": "2022-09-04T14:37:43.893991Z",
"updated_at": "2022-09-04T14:37:43.894002Z",
"structure_string": "Ca1 Cd1 Au2\n1.0\n0.000000 3.499697 3.499697\n3.499697 0.000000 3.499697\n3.499697 3.499697 0.000000\nCa Cd Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Cd\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-86250",
"created_at": "2022-09-04T14:35:50.836668Z",
"updated_at": "2022-09-04T14:35:50.836686Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337940 0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905117\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817705 Ca\n0.750000 0.952821 0.317705 Ca\n0.750000 0.452821 0.182295 Ca\n0.250000 0.047178 0.682296 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440213 Cd\n0.250000 0.140843 0.059787 Cd\n0.750000 0.859156 0.940213 Cd\n0.250000 0.742071 0.130035 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257928 0.869966 Au\n0.750000 0.757928 0.630035 Au\n",
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"density": 8.14786623887781,
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"volume": 284.8768535725757,
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"formula_full": "Ca4 Cd4 Au4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-61472",
"created_at": "2022-09-04T14:35:44.544519Z",
"updated_at": "2022-09-04T14:35:44.544536Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.336165 0.000000 0.000000\n-0.000000 7.376061 0.000000\n0.000000 0.000000 8.906668\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.047218 0.682313 Ca\n0.750001 0.452782 0.182312 Ca\n0.750001 0.952781 0.317688 Ca\n0.250000 0.547218 0.817688 Ca\n0.250000 0.140806 0.059855 Cd\n0.750001 0.359194 0.559855 Cd\n0.750001 0.859194 0.940145 Cd\n0.250000 0.640806 0.440145 Cd\n0.250000 0.242076 0.369997 Au\n0.750001 0.257924 0.869997 Au\n0.750001 0.757924 0.630003 Au\n0.250000 0.742076 0.130003 Au\n",
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"formula_full": "Ca4 Cd4 Au4",
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{
"id": "jvasp-86852",
"created_at": "2022-09-04T14:36:02.084345Z",
"updated_at": "2022-09-04T14:36:02.084375Z",
"structure_string": "Ca4 Cd4 Au4\n1.0\n4.337930 -0.000000 0.000000\n-0.000000 7.374524 0.000000\n0.000000 0.000000 8.905104\nCa Cd Au\n4 4 4\ndirect\n0.250000 0.547178 0.817704 Ca\n0.750000 0.952822 0.317704 Ca\n0.750000 0.452822 0.182296 Ca\n0.250000 0.047178 0.682295 Ca\n0.750000 0.359156 0.559787 Cd\n0.250000 0.640843 0.440212 Cd\n0.250000 0.140843 0.059788 Cd\n0.750000 0.859156 0.940212 Cd\n0.250000 0.742072 0.130034 Au\n0.250000 0.242072 0.369966 Au\n0.750000 0.257927 0.869965 Au\n0.750000 0.757927 0.630034 Au\n",
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{
"id": "jvasp-62082",
"created_at": "2022-09-04T14:36:08.014093Z",
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"structure_string": "Ca10 Au6\n1.0\n-3.908568 3.908568 7.174129\n3.908568 -3.908568 7.174129\n3.908568 3.908568 -7.174129\nCa Au\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.023440 0.523440 0.836013 Ca\n0.687427 0.187426 0.163988 Ca\n0.187426 0.023440 0.500000 Ca\n0.523440 0.687427 0.500000 Ca\n0.476561 0.312574 0.500000 Ca\n0.812574 0.976561 0.500000 Ca\n0.312574 0.812574 0.836013 Ca\n0.976561 0.476560 0.163988 Ca\n0.750000 0.750000 0.000000 Au\n0.250000 0.250000 0.000000 Au\n0.368009 0.868010 0.236020 Au\n0.631991 0.131991 0.763981 Au\n0.131991 0.368010 0.500000 Au\n0.868010 0.631991 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:37:58.482257Z",
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"structure_string": "Ca1 Au3\n1.0\n4.219381 -0.000000 2.436060\n1.406460 3.978070 2.436060\n-0.000000 -0.000000 4.872121\nCa Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n0.500000 0.500000 0.500000 Au\n",
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}