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{
"id": "jvasp-53485",
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{
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{
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"updated_at": "2022-09-04T14:36:56.227568Z",
"structure_string": "Ca3 Tl1\n1.0\n4.880869 -0.000000 2.817971\n1.626957 4.601727 2.817971\n-0.000000 -0.000000 5.635942\nCa Tl\n3 1\ndirect\n0.500000 0.500000 0.499999 Ca\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750000 0.749999 Ca\n0.000000 0.000000 0.000000 Tl\n",
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{
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"created_at": "2022-09-04T14:38:01.921857Z",
"updated_at": "2022-09-04T14:38:01.921881Z",
"structure_string": "Ca6 Ti2 Ni2 O12\n1.0\n6.419142 -0.029826 -0.250770\n-0.259590 6.413960 -0.250770\n-0.028776 -0.029826 6.423974\nCa Ti Ni O\n6 2 2 12\ndirect\n0.608557 0.891444 0.250000 Ca\n0.108557 0.750000 0.391444 Ca\n0.750000 0.391443 0.108557 Ca\n0.391444 0.108555 0.749999 Ca\n0.891443 0.249999 0.608555 Ca\n0.249999 0.608556 0.891442 Ca\n0.499999 0.499998 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n0.543024 0.206681 0.419495 O\n0.956975 0.080503 0.293319 O\n0.080504 0.293319 0.956975 O\n0.293319 0.956975 0.080503 O\n0.919495 0.706680 0.043024 O\n0.206681 0.419495 0.543025 O\n0.456975 0.793319 0.580504 O\n0.580504 0.456975 0.793319 O\n0.793319 0.580503 0.456974 O\n0.419495 0.543024 0.206680 O\n0.043025 0.919496 0.706680 O\n0.706680 0.043023 0.919496 O\n",
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"structure_string": "Ca6 Ti4 O14\n1.0\n5.235673 -0.000000 -1.453238\n0.000000 5.493820 0.000000\n-0.015037 0.000000 10.103895\nCa Ti O\n6 4 14\ndirect\n0.445470 0.041165 0.375446 Ca\n0.554529 0.541165 0.624553 Ca\n0.070023 0.041165 0.624553 Ca\n0.929976 0.541165 0.375446 Ca\n0.745351 0.459186 -0.000000 Ca\n0.254648 0.959186 -0.000000 Ca\n0.150624 0.506388 0.800564 Ti\n0.649938 0.006388 0.800564 Ti\n0.350060 0.506388 0.199435 Ti\n0.849375 0.006388 0.199435 Ti\n0.119002 0.476918 0.604165 O\n0.880997 0.976918 0.395834 O\n0.928335 0.787278 0.774211 O\n0.514836 0.476918 0.395834 O\n0.485162 0.976918 0.604165 O\n0.623836 0.705411 0.167156 O\n0.376162 0.205411 0.832843 O\n0.543319 0.205411 0.167156 O\n0.456680 0.705411 0.832843 O\n0.154125 0.787278 0.225788 O\n0.845874 0.287278 0.774211 O\n0.071663 0.287278 0.225788 O\n0.824778 0.014892 -0.000000 O\n0.175221 0.514892 -0.000000 O\n",
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"volume": 290.5068172676472,
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"formula_full": "Ca6 Ti4 O14",
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{
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"created_at": "2022-09-04T14:36:52.822607Z",
"updated_at": "2022-09-04T14:36:52.822625Z",
"structure_string": "Ca6 Ti4 O14\n1.0\n5.493488 0.000000 0.000000\n0.000000 5.245869 -1.414989\n0.000000 -0.088292 10.104320\nCa Ti O\n6 4 14\ndirect\n0.710181 0.754574 -0.000000 Ca\n0.210181 0.245426 -0.000000 Ca\n0.792135 0.570004 0.624541 Ca\n0.292135 0.429997 0.375459 Ca\n0.792135 0.945461 0.375459 Ca\n0.292135 0.054539 0.624541 Ca\n0.757348 0.349347 0.199424 Ti\n0.257348 0.650654 0.800576 Ti\n0.257348 0.850077 0.199424 Ti\n0.757348 0.149923 0.800576 Ti\n0.265860 0.675358 -0.000000 O\n0.765860 0.324642 -0.000000 O\n0.456262 0.123976 0.167198 O\n0.956262 0.876024 0.832802 O\n0.038318 0.571541 0.225725 O\n0.538318 0.428459 0.774275 O\n0.227919 0.014733 0.395826 O\n0.038318 0.345816 0.774275 O\n0.727919 0.381094 0.395826 O\n0.227919 0.618906 0.604174 O\n0.956262 0.043221 0.167198 O\n0.727919 0.985268 0.604174 O\n0.538318 0.654184 0.225725 O\n0.456262 0.956779 0.832802 O\n",
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{
"id": "jvasp-21274",
"created_at": "2022-09-04T14:37:28.044934Z",
"updated_at": "2022-09-04T14:37:28.044960Z",
"structure_string": "Ca6 Te2 O12\n1.0\n0.000000 5.600326 -0.005910\n5.852534 0.000000 0.000000\n0.000000 -5.557204 -8.067308\nCa Te O\n6 2 12\ndirect\n0.728554 0.555594 0.745003 Ca\n0.271448 0.055595 0.754998 Ca\n0.271447 0.444405 0.254997 Ca\n0.728554 0.944405 0.245003 Ca\n0.500000 0.500000 0.000000 Ca\n0.500001 0.000000 0.500000 Ca\n0.000001 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.889876 0.555781 0.274095 O\n0.110125 0.055782 0.225905 O\n0.334178 0.178774 0.050678 O\n0.665823 0.678774 0.449322 O\n0.665824 0.821225 0.949322 O\n0.241418 0.724007 0.071087 O\n0.758584 0.275992 0.928914 O\n0.241418 0.775992 0.571087 O\n0.889877 0.944218 0.774095 O\n0.758583 0.224007 0.428913 O\n0.334178 0.321225 0.550678 O\n0.110126 0.444218 0.725906 O\n",
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{
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"updated_at": "2022-09-04T14:38:54.588804Z",
"structure_string": "Ca3 Te1\n1.0\n5.468893 0.663963 -0.490879\n-1.778909 -8.896018 -0.703982\n0.024716 -2.534299 -3.175565\nCa Te\n3 1\ndirect\n0.060298 0.564103 0.439748 Ca\n0.652668 0.748766 0.662912 Ca\n0.356531 0.156438 0.051450 Ca\n0.856621 0.156436 0.551392 Te\n",
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{
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"created_at": "2022-09-04T14:38:27.181874Z",
"updated_at": "2022-09-04T14:38:27.181894Z",
"structure_string": "Ca3 Tb1 Mn4 O12\n1.0\n7.496390 -0.000000 0.000000\n0.000000 5.281788 0.012758\n-0.000000 0.002600 5.383361\nTb Ca Mn O\n1 3 4 12\ndirect\n-0.000000 0.488865 0.444934 Tb\n-0.000000 0.009959 0.952612 Ca\n0.500000 0.508786 0.545247 Ca\n0.500000 0.989214 0.047005 Ca\n0.251986 0.998281 0.500417 Mn\n0.747921 0.501263 0.996491 Mn\n0.748014 0.998281 0.500417 Mn\n0.252079 0.501263 0.996491 Mn\n-0.000000 0.916373 0.517011 O\n-0.000000 0.576568 0.017213 O\n0.206681 0.295808 0.705754 O\n0.796435 0.213535 0.215021 O\n0.716128 0.703201 0.295399 O\n0.793319 0.295808 0.705754 O\n0.283872 0.703201 0.295399 O\n0.710073 0.794525 0.792895 O\n0.500000 0.421469 0.983850 O\n0.203565 0.213535 0.215021 O\n0.289927 0.794525 0.792895 O\n0.500000 0.075541 0.480175 O\n",
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"structure_string": "Ca6 Tb2\n1.0\n7.517970 -0.000000 -0.000000\n-3.758985 6.510753 -0.000000\n0.000000 0.000000 6.097464\nTb Ca\n2 6\ndirect\n0.333332 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.170740 0.341481 0.250000 Ca\n0.658518 0.829259 0.250000 Ca\n0.170739 0.829259 0.250000 Ca\n0.829259 0.658518 0.750000 Ca\n0.341481 0.170740 0.750000 Ca\n0.829260 0.170740 0.750000 Ca\n",
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{
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"updated_at": "2022-09-04T14:38:13.921742Z",
"structure_string": "Ca3 Ta1 Ga3 Si2 O14\n1.0\n4.081529 -7.069415 -0.000000\n4.081529 7.069415 0.000000\n0.000000 -0.000000 5.017090\nCa Ta Ga Si O\n3 1 3 2 14\ndirect\n0.576139 0.000000 0.000000 Ca\n0.423861 0.423861 0.000000 Ca\n0.000000 0.576139 0.000000 Ca\n0.000000 0.000000 0.000000 Ta\n0.744984 0.744984 0.500000 Ga\n0.000000 0.255016 0.500000 Ga\n0.255016 0.000000 0.500000 Ga\n0.333333 0.666667 0.448723 Si\n0.666667 0.333333 0.551276 Si\n0.677665 0.523133 0.692497 O\n0.666667 0.333333 0.229714 O\n0.333333 0.666667 0.770286 O\n0.322336 0.845469 0.307503 O\n0.154532 0.476867 0.307503 O\n0.523133 0.677665 0.307503 O\n0.083460 0.857878 0.764243 O\n0.857878 0.083460 0.235757 O\n0.225582 0.142122 0.235757 O\n0.845469 0.322336 0.692497 O\n0.142122 0.225582 0.764243 O\n0.774418 0.916540 0.764243 O\n0.916540 0.774418 0.235757 O\n0.476867 0.154532 0.692497 O\n",
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}
]
}