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{
"id": "jvasp-85666",
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"updated_at": "2022-09-04T14:35:55.272100Z",
"structure_string": "Cu1 H4 Pb2 Cl2 O4\n1.0\n5.892954 0.000000 0.000000\n0.000000 5.892954 0.000000\n0.000000 -0.000000 5.526868\nCu H Pb Cl O\n1 4 2 2 4\ndirect\n0.000000 0.000000 0.031311 Cu\n0.301107 0.698892 0.118695 H\n0.698892 0.301107 0.118695 H\n0.698892 0.698892 0.118695 H\n0.301107 0.301107 0.118695 H\n0.000000 0.500000 0.728294 Pb\n0.500000 0.000000 0.728294 Pb\n0.000000 0.000000 0.492073 Cl\n0.500000 0.500000 0.416904 Cl\n0.235637 0.764363 0.970036 O\n0.764363 0.235637 0.970036 O\n0.764363 0.764363 0.970036 O\n0.235637 0.235637 0.970036 O\n",
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{
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"structure_string": "Na2 Pd1 Se2 O8\n1.0\n4.998614 0.005710 0.315147\n1.885811 5.449008 1.719536\n-0.031608 0.063921 7.216021\nNa Pd Se O\n2 1 2 8\ndirect\n0.798757 0.262149 0.808977 Na\n0.201242 0.737851 0.191024 Na\n0.499999 -0.000000 0.500000 Pd\n0.120796 0.678646 0.719060 Se\n0.879202 0.321354 0.280941 Se\n0.262346 0.785777 0.500980 O\n0.793588 0.683515 0.654577 O\n0.292096 0.385416 0.823486 O\n0.206411 0.316485 0.345424 O\n0.104086 0.858036 0.856820 O\n0.895912 0.141964 0.143181 O\n0.737652 0.214223 0.499021 O\n0.707902 0.614584 0.176515 O\n",
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{
"id": "jvasp-98134",
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"updated_at": "2022-09-04T14:35:56.164958Z",
"structure_string": "Ba2 Y1 Cu4 O6\n1.0\n3.937911 0.000000 0.000000\n0.000000 1.892491 13.488087\n0.000000 -1.892491 13.488087\nBa Y Cu O\n2 1 4 6\ndirect\n0.500000 0.642467 0.642467 Ba\n0.500000 0.357533 0.357533 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.210897 0.210897 Cu\n0.000000 0.789103 0.789103 Cu\n0.000000 0.060207 0.060207 Cu\n0.000000 0.939793 0.939793 Cu\n0.000000 0.138468 0.138468 O\n0.000000 0.861532 0.861532 O\n0.500000 0.052090 0.052090 O\n0.500000 0.947910 0.947910 O\n0.000000 0.716919 0.716919 O\n0.000000 0.283082 0.283082 O\n",
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"density_atomic": 0.064664106157349,
"volume": 201.03888807133177,
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"formula_full": "Ba2 Y1 Cu4 O6",
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{
"id": "jvasp-85940",
"created_at": "2022-09-04T14:36:05.609810Z",
"updated_at": "2022-09-04T14:36:05.609829Z",
"structure_string": "Na2 Pd1 Se2 O8\n1.0\n4.998917 0.005546 0.314742\n1.885590 5.449816 1.719791\n-0.032180 0.064554 7.215749\nNa Pd Se O\n2 1 2 8\ndirect\n0.798751 0.262293 0.808945 Na\n0.201250 0.737708 0.191055 Na\n0.500000 0.000000 0.500000 Pd\n0.120754 0.678752 0.719070 Se\n0.879246 0.321249 0.280929 Se\n0.262288 0.785862 0.500984 O\n0.793588 0.683557 0.654558 O\n0.292082 0.385578 0.823533 O\n0.206412 0.316443 0.345441 O\n0.103985 0.858146 0.856811 O\n0.896015 0.141855 0.143188 O\n0.737712 0.214139 0.499015 O\n0.707918 0.614423 0.176467 O\n",
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{
"id": "jvasp-85656",
"created_at": "2022-09-04T14:36:05.556186Z",
"updated_at": "2022-09-04T14:36:05.556211Z",
"structure_string": "U1 Ga6 Fe6\n1.0\n4.616511 0.000006 1.914701\n2.320385 6.023538 0.928472\n0.001142 -0.131046 6.520024\nU Ga Fe\n1 6 6\ndirect\n0.001029 0.000290 0.998070 U\n0.000945 0.654560 0.343987 Ga\n0.500934 0.813732 0.184837 Ga\n0.342318 0.659002 0.656833 Ga\n0.500914 0.187049 0.811518 Ga\n0.000888 0.346214 0.652335 Ga\n0.659782 0.341544 0.339366 Ga\n0.500926 0.500381 0.998179 Fe\n0.739336 0.761997 0.759795 Fe\n0.262580 0.238746 0.236545 Fe\n0.000949 0.000347 0.498216 Fe\n0.500911 0.000360 0.498212 Fe\n0.000941 0.500384 0.998167 Fe\n",
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{
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"created_at": "2022-09-04T14:36:02.507147Z",
"updated_at": "2022-09-04T14:36:02.507163Z",
"structure_string": "Y4 Fe3 B6\n1.0\n7.309614 -2.648657 -0.084602\n7.309614 2.648657 -0.084602\n6.401915 -0.000000 4.412310\nY Fe B\n4 3 6\ndirect\n0.742330 0.742330 0.742332 Y\n0.257669 0.257669 0.257669 Y\n0.590415 0.590415 0.590417 Y\n0.409583 0.409583 0.409584 Y\n0.000000 0.000000 0.000000 Fe\n0.891364 0.891364 0.891366 Fe\n0.108634 0.108634 0.108635 Fe\n0.832674 0.167324 0.500001 B\n0.167325 0.500000 0.832675 B\n0.499999 0.832674 0.167326 B\n0.167324 0.832674 0.500001 B\n0.832674 0.499999 0.167326 B\n0.500000 0.167325 0.832675 B\n",
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"formula_anonymous": "A3B4C6",
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{
"id": "jvasp-63208",
"created_at": "2022-09-04T14:35:59.482058Z",
"updated_at": "2022-09-04T14:35:59.482076Z",
"structure_string": "Lu1 Mn4 Al8\n1.0\n-4.375033 4.375033 2.470656\n4.375033 -4.375033 2.470656\n4.375033 4.375033 -2.470656\nLu Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Lu\n-0.000001 -0.000001 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000001 0.500000 0.000000 Mn\n0.500000 0.000001 0.000000 Mn\n-0.000000 0.660420 0.660420 Al\n-0.000000 0.339579 0.339579 Al\n0.660420 -0.000000 0.660420 Al\n0.339579 -0.000000 0.339579 Al\n0.500001 0.717219 0.217218 Al\n0.500000 0.282782 0.782782 Al\n0.717219 0.500001 0.217218 Al\n0.282782 0.500000 0.782782 Al\n",
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{
"id": "jvasp-62523",
"created_at": "2022-09-04T14:36:05.085286Z",
"updated_at": "2022-09-04T14:36:05.085320Z",
"structure_string": "Ce1 Mn4 Al8\n1.0\n-4.418868 4.418868 2.478117\n4.418868 -4.418868 2.478117\n4.418868 4.418868 -2.478117\nCe Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.656987 0.656987 Al\n-0.000000 0.343013 0.343013 Al\n0.343013 -0.000000 0.343013 Al\n0.656987 0.000000 0.656987 Al\n0.500001 0.719819 0.219818 Al\n0.500000 0.280182 0.780182 Al\n0.280182 0.500000 0.780182 Al\n0.719819 0.500001 0.219818 Al\n",
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{
"id": "jvasp-20877",
"created_at": "2022-09-04T14:38:29.133485Z",
"updated_at": "2022-09-04T14:38:29.133505Z",
"structure_string": "Lu1 Mn6 Ge6\n1.0\n2.579984 -4.468663 -0.000000\n2.579984 4.468663 0.000000\n-0.000000 0.000000 8.098686\nLu Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.500000 Lu\n0.499999 -0.000000 0.750125 Mn\n-0.000000 0.499999 0.750125 Mn\n0.499999 0.499999 0.750125 Mn\n0.499999 -0.000000 0.249875 Mn\n-0.000000 0.499999 0.249875 Mn\n0.499999 0.499999 0.249875 Mn\n0.000000 0.000000 0.841772 Ge\n0.000000 0.000000 0.158228 Ge\n0.666666 0.333332 0.500000 Ge\n0.333332 0.666666 0.500000 Ge\n0.666666 0.333332 0.000000 Ge\n0.333332 0.666666 0.000000 Ge\n",
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"density": 8.362552026897122,
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"formula_full": "Lu1 Mn6 Ge6",
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"spacegroup": 191
},
{
"id": "jvasp-10734",
"created_at": "2022-09-04T14:38:14.427411Z",
"updated_at": "2022-09-04T14:38:14.427427Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n3.250893 -0.000038 -0.000081\n-1.625261 7.964010 -0.052142\n-1.625178 -2.421378 7.727750\nCa Sb O\n1 4 8\ndirect\n0.522871 0.106278 0.939587 Ca\n0.739423 0.136644 0.342323 Sb\n0.620934 0.499349 0.742650 Sb\n0.335704 0.496293 0.175252 Sb\n0.188309 0.830594 0.546186 Sb\n0.532796 0.644665 0.421066 O\n0.794447 0.351401 0.237618 O\n0.165003 0.642799 0.687348 O\n0.410694 0.301887 0.519632 O\n0.113369 0.070316 0.156525 O\n0.133642 0.325948 0.941463 O\n0.835312 0.940244 0.730537 O\n0.879359 0.629686 0.129171 O\n",
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{
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"created_at": "2022-09-04T14:38:29.526568Z",
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"structure_string": "Al4 Cu2 O7\n1.0\n5.191044 0.000000 2.997050\n1.730348 4.894163 2.997050\n0.000000 0.000000 5.994101\nAl Cu O\n4 2 7\ndirect\n0.620112 0.139660 0.620113 Al\n0.139661 0.620112 0.620113 Al\n0.620113 0.620112 0.139661 Al\n0.620113 0.620112 0.620113 Al\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 O\n0.740205 0.259795 0.740205 O\n0.259795 0.740205 0.259795 O\n0.259795 0.740205 0.740205 O\n0.740205 0.740205 0.259795 O\n0.259795 0.259795 0.740205 O\n0.740205 0.259795 0.259795 O\n",
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"formula_full": "Al4 Cu2 O7",
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"formula_anonymous": "A2B4C7",
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"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:38:09.365602Z",
"updated_at": "2022-09-04T14:38:09.365616Z",
"structure_string": "Li1 Mn4 O8\n1.0\n-5.709949 0.000000 0.000000\n0.000000 3.027043 -5.002129\n-2.854975 -1.909887 -4.726257\nLi Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.499999 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n-0.000001 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.731787 0.762372 0.030265 O\n0.762048 0.731496 0.475902 O\n0.733877 0.266427 0.532247 O\n0.237947 0.762372 0.030265 O\n0.762052 0.237628 0.969737 O\n0.266121 0.733573 0.467755 O\n0.237950 0.268503 0.524100 O\n0.268211 0.237628 0.969737 O\n",
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],
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"density_atomic": 0.09541994216793714,
"volume": 136.23986458847634,
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"formula_full": "Li1 Mn4 O8",
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"spacegroup": 166
}
]
}