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{
"id": "jvasp-59044",
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"structure_string": "Ca4 Nb8 O16\n1.0\n5.114132 -0.000000 0.000000\n-0.000000 5.907895 0.000000\n0.000000 0.000000 11.958302\nCa Nb O\n4 8 16\ndirect\n0.309460 0.250000 0.996197 Ca\n0.309460 0.749999 0.503802 Ca\n0.690540 0.749999 0.003802 Ca\n0.690540 0.250000 0.496197 Ca\n0.844185 0.000000 0.250000 Nb\n0.155815 0.500000 0.750000 Nb\n0.844185 0.500000 0.250000 Nb\n0.155815 0.000000 0.750000 Nb\n0.659209 0.250000 0.753877 Nb\n0.340791 0.250000 0.253877 Nb\n0.340791 0.749999 0.246123 Nb\n0.659209 0.749999 0.746123 Nb\n0.006401 0.749999 0.138813 O\n0.014155 0.250000 0.142382 O\n0.014155 0.749999 0.357618 O\n0.993599 0.749999 0.638813 O\n0.993599 0.250000 0.861186 O\n0.006401 0.250000 0.361187 O\n0.507787 0.995358 0.363177 O\n0.507787 0.504641 0.363177 O\n0.492212 0.495359 0.636823 O\n0.492212 0.504641 0.863177 O\n0.492212 0.004641 0.636823 O\n0.492212 0.995358 0.863177 O\n0.985845 0.250000 0.642382 O\n0.507787 0.495359 0.136823 O\n0.507787 0.004641 0.136823 O\n0.985845 0.749999 0.857618 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:52.244600Z",
"updated_at": "2022-09-04T14:37:52.244628Z",
"structure_string": "Ca4 Nb4 O12\n1.0\n5.537983 -0.000000 0.000000\n0.000000 5.717710 0.000000\n0.000000 0.000000 7.950385\nCa Nb O\n4 4 12\ndirect\n0.989146 0.946042 0.750000 Ca\n0.489147 0.553958 0.250000 Ca\n0.510853 0.446042 0.750000 Ca\n0.010853 0.053958 0.250000 Ca\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.407687 0.029493 0.750000 O\n0.907686 0.470507 0.250000 O\n0.802292 0.202493 0.548291 O\n0.802292 0.202493 0.951710 O\n0.302293 0.297507 0.048291 O\n0.697707 0.702493 0.548291 O\n0.197707 0.797507 0.451710 O\n0.197707 0.797507 0.048291 O\n0.697707 0.702493 0.951710 O\n0.302293 0.297507 0.451710 O\n0.592313 0.970507 0.250000 O\n0.092313 0.529493 0.750000 O\n",
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"formula_full": "Ca4 Nb4 O12",
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{
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"structure_string": "Ca2 Nd6\n1.0\n3.712159 -6.429648 -0.000000\n3.712159 6.429648 -0.000000\n0.000000 -0.000000 5.935485\nCa Nd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750001 Ca\n0.164503 0.835497 0.750001 Nd\n0.670994 0.835497 0.750001 Nd\n0.164503 0.329007 0.750001 Nd\n0.835497 0.164503 0.250000 Nd\n0.329007 0.164503 0.250000 Nd\n0.835497 0.670994 0.250000 Nd\n",
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{
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"created_at": "2022-09-04T14:38:48.162052Z",
"updated_at": "2022-09-04T14:38:48.162081Z",
"structure_string": "Ca1 Nd3 Mn4 O12\n1.0\n7.697486 -0.000000 0.000000\n0.000000 5.426657 0.027736\n-0.000000 -0.035903 5.497381\nCa Nd Mn O\n1 3 4 12\ndirect\n0.500000 0.490026 0.542844 Ca\n0.500000 0.009615 0.043862 Nd\n-0.000000 0.509498 0.457040 Nd\n-0.000000 0.991950 0.956470 Nd\n0.253551 0.000708 0.500754 Mn\n0.746795 0.499857 0.998569 Mn\n0.746450 0.000708 0.500754 Mn\n0.253206 0.499857 0.998569 Mn\n0.285539 0.208815 0.791089 O\n0.708273 0.286879 0.287222 O\n0.714461 0.208815 0.791089 O\n0.291728 0.286879 0.287222 O\n0.210034 0.786893 0.212789 O\n0.500000 0.920140 0.484974 O\n-0.000000 0.075428 0.510334 O\n-0.000000 0.427615 0.015252 O\n0.205431 0.716927 0.715609 O\n0.500000 0.575584 0.977165 O\n0.794569 0.716927 0.715609 O\n0.789966 0.786893 0.212789 O\n",
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"formula_full": "Ca1 Nd3 Mn4 O12",
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{
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"structure_string": "Ca1 Nd1 Al1 O4\n1.0\n3.555343 0.006695 -5.615546\n-0.293264 3.543233 -5.615546\n-0.006152 -0.006695 6.646411\nCa Nd Al O\n1 1 1 4\ndirect\n0.642339 0.642338 -0.000002 Ca\n0.357368 0.357367 -0.000001 Nd\n0.009467 0.009467 -0.000000 Al\n0.830953 0.830951 -0.000002 O\n0.165584 0.165583 -0.000000 O\n0.497146 0.997144 0.499999 O\n0.997145 0.497144 0.499998 O\n",
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"formula_full": "Ca1 Nd1 Al1 O4",
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{
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"structure_string": "Ca1 Nd1 Cd2\n1.0\n0.000000 3.810700 3.810700\n3.810700 0.000000 3.810700\n3.810700 3.810700 0.000000\nCa Nd Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Nd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
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{
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"updated_at": "2022-09-04T14:35:56.397310Z",
"structure_string": "Ca1 Nd1 Co1 O4\n1.0\n3.587189 0.016950 -5.536221\n-0.299399 3.574713 -5.536221\n-0.015516 -0.016950 6.596773\nCa Nd Co O\n1 1 1 4\ndirect\n0.639787 0.639786 -0.000000 Ca\n0.360073 0.360073 -0.000000 Nd\n0.011599 0.011599 -0.000000 Co\n0.831496 0.831495 -0.000000 O\n0.167655 0.167655 -0.000000 O\n0.994695 0.494695 0.499999 O\n0.494694 0.994694 0.499999 O\n",
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"structure_string": "Ca1 Nd1 Cr1 O4\n1.0\n3.677351 0.025698 -5.491796\n-0.318344 3.663636 -5.491796\n-0.023397 -0.025698 6.609250\nCa Nd Cr O\n1 1 1 4\ndirect\n0.641828 0.641829 0.000000 Ca\n0.359681 0.359681 0.000000 Nd\n0.006911 0.006911 0.000000 Cr\n0.995719 0.495720 0.499999 O\n0.495720 0.995720 0.500000 O\n0.830597 0.830598 0.000001 O\n0.169544 0.169544 0.000000 O\n",
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{
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}
]
}