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{
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"structure_string": "Ba16 Tb8 Nb5 Sn3 O48\n1.0\n6.081039 0.000000 0.000000\n0.000000 6.081039 0.000000\n0.000000 0.000000 34.546960\nBa Tb Nb Sn O\n16 8 5 3 48\ndirect\n0.500000 0.000000 0.062360 Ba\n0.000000 0.500000 0.187551 Ba\n0.000000 0.500000 0.062360 Ba\n0.500000 0.000000 0.312925 Ba\n0.500000 0.000000 0.187551 Ba\n0.000000 0.500000 0.438602 Ba\n0.000000 0.500000 0.312925 Ba\n0.500000 0.000000 0.561527 Ba\n0.500000 0.000000 0.438602 Ba\n0.000000 0.500000 0.687394 Ba\n0.000000 0.500000 0.561527 Ba\n0.500000 0.000000 0.811802 Ba\n0.500000 0.000000 0.687394 Ba\n0.000000 0.500000 0.937915 Ba\n0.000000 0.500000 0.811802 Ba\n0.500000 0.000000 0.937915 Ba\n0.000000 0.000000 0.125970 Tb\n0.500000 0.500000 0.250049 Tb\n0.000000 0.000000 0.375478 Tb\n0.500000 0.500000 0.499924 Tb\n0.000000 0.000000 0.624533 Tb\n0.500000 0.500000 0.749177 Tb\n0.500000 0.500000 0.875947 Tb\n0.000000 0.000000 0.999600 Tb\n0.500000 0.500000 0.124651 Nb\n0.000000 0.000000 0.250490 Nb\n0.500000 0.500000 0.375161 Nb\n0.500000 0.500000 0.624562 Nb\n0.000000 0.000000 0.874347 Nb\n0.000000 0.000000 0.499918 Sn\n0.000000 0.000000 0.750066 Sn\n0.500000 0.500000 0.000476 Sn\n0.000000 0.000000 0.063120 O\n0.726169 0.256495 0.125695 O\n0.256495 0.273831 0.125695 O\n0.500000 0.500000 0.183829 O\n0.500000 0.500000 0.064608 O\n0.743505 0.726169 0.125695 O\n0.227082 0.755381 0.249917 O\n0.273831 0.743505 0.125695 O\n0.755381 0.772918 0.249917 O\n0.000000 0.000000 0.309159 O\n0.000000 0.000000 0.191848 O\n0.244619 0.227082 0.249917 O\n0.726598 0.255891 0.374273 O\n0.772918 0.244619 0.249917 O\n0.255891 0.273402 0.374273 O\n0.500000 0.500000 0.433470 O\n0.500000 0.500000 0.315455 O\n0.744109 0.726598 0.374273 O\n0.232600 0.750105 0.499883 O\n0.273402 0.744109 0.374273 O\n0.750105 0.767400 0.499883 O\n0.000000 0.000000 0.560523 O\n0.000000 0.000000 0.439205 O\n0.249895 0.232600 0.499883 O\n0.726798 0.255970 0.625048 O\n0.767400 0.249895 0.499883 O\n0.255970 0.273202 0.625048 O\n0.500000 0.500000 0.682993 O\n0.500000 0.500000 0.565945 O\n0.744030 0.726798 0.625048 O\n0.231176 0.752166 0.750154 O\n0.273202 0.744030 0.625048 O\n0.752166 0.768824 0.750154 O\n0.000000 0.000000 0.814435 O\n0.000000 0.000000 0.689454 O\n0.247834 0.231176 0.750154 O\n0.756297 0.226567 0.874620 O\n0.768824 0.247834 0.750154 O\n0.226567 0.243703 0.874620 O\n0.500000 0.500000 0.940411 O\n0.500000 0.500000 0.812400 O\n0.773433 0.756297 0.874620 O\n0.251258 0.732000 0.000497 O\n0.243703 0.773433 0.874620 O\n0.732000 0.748742 0.000497 O\n0.000000 0.000000 0.932237 O\n0.268000 0.251258 0.000497 O\n0.748742 0.268000 0.000497 O\n",
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"formula_full": "Ba16 Tb8 Nb5 Sn3 O48",
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"spacegroup": 75
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{
"id": "mp-571223",
"created_at": "2022-09-04T14:47:15.743566Z",
"structure_string": "Tb3 Cu4 Sn4\n1.0\n-2.239379 3.481845 7.377726\n2.239379 -3.481845 7.377726\n2.239379 3.481845 -7.377726\nTb Cu Sn\n3 4 4\ndirect\n0.368500 0.868500 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.631500 0.131500 0.500000 Tb\n0.982270 0.670346 0.311924 Cu\n0.641579 0.329654 0.311924 Cu\n0.358421 0.670346 0.688076 Cu\n0.017730 0.329654 0.688076 Cu\n0.702923 0.500000 0.202923 Sn\n0.297077 0.500000 0.797077 Sn\n0.783843 0.783843 0.000000 Sn\n0.216157 0.216157 0.000000 Sn\n",
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{
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{
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"structure_string": "Ni2 S4\n1.0\n5.350663 0.000000 0.000000\n0.000000 3.760921 0.000000\n0.000000 2.770592 4.688609\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.113913 0.668439 0.820508 S\n0.386087 0.668439 0.320508 S\n0.886087 0.331561 0.179492 S\n0.613913 0.331561 0.679492 S\n",
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{
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"structure_string": "Nd4 Cu24\n1.0\n5.113124 0.000000 0.000000\n0.000000 8.068386 0.000000\n0.000000 0.000000 10.146219\nNd Cu\n4 24\ndirect\n0.250000 0.259402 0.563948 Nd\n0.250000 0.759402 0.936052 Nd\n0.750000 0.740598 0.436052 Nd\n0.750000 0.240598 0.063948 Nd\n0.250000 0.146647 0.856915 Cu\n0.250000 0.646647 0.643085 Cu\n0.750000 0.853353 0.143085 Cu\n0.750000 0.353353 0.356915 Cu\n0.250000 0.818850 0.247569 Cu\n0.250000 0.318850 0.252431 Cu\n0.750000 0.181150 0.752431 Cu\n0.750000 0.681150 0.747569 Cu\n0.250000 0.561485 0.403321 Cu\n0.250000 0.061485 0.096679 Cu\n0.750000 0.438515 0.596679 Cu\n0.750000 0.938515 0.903321 Cu\n0.250000 0.901490 0.485099 Cu\n0.250000 0.401490 0.014901 Cu\n0.750000 0.098510 0.514901 Cu\n0.750000 0.598510 0.985099 Cu\n0.004485 0.432256 0.808187 Cu\n0.495515 0.932256 0.691813 Cu\n0.504485 0.567744 0.191813 Cu\n0.995515 0.067744 0.308187 Cu\n0.995515 0.567744 0.191813 Cu\n0.504485 0.067744 0.308187 Cu\n0.495515 0.432256 0.808187 Cu\n0.004485 0.932256 0.691813 Cu\n",
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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:15.749926Z",
"structure_string": "Li6 Mg1 Br8\n1.0\n0.000000 5.532198 5.532198\n5.532198 0.000000 5.532198\n5.532198 5.532198 0.000000\nLi Mg Br\n6 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.242873 0.757127 0.242873 Br\n0.242873 0.757127 0.757127 Br\n0.757127 0.242873 0.242873 Br\n0.757127 0.757127 0.242873 Br\n0.242873 0.242873 0.757127 Br\n0.757127 0.242873 0.757127 Br\n",
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"volume": 338.62821522978675,
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"formula_full": "Li6 Mg1 Br8",
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{
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"structure_string": "Li9 Co7 O16\n1.0\n5.872876 0.000000 0.000000\n-1.508446 6.447645 0.000000\n-1.399274 -0.358656 7.512667\nLi Co O\n9 7 16\ndirect\n0.745433 0.256704 0.740052 Li\n0.373935 0.868191 0.622957 Li\n0.124477 0.625032 0.876884 Li\n0.500000 0.000000 0.000000 Li\n0.875523 0.374968 0.123116 Li\n0.254567 0.743296 0.259948 Li\n0.626065 0.131809 0.377043 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.868548 0.870445 0.624396 Co\n0.380094 0.376873 0.127181 Co\n0.131452 0.129555 0.375604 Co\n0.748431 0.743553 0.256585 Co\n0.000000 0.000000 0.000000 Co\n0.619906 0.623127 0.872819 Co\n0.251569 0.256447 0.743415 Co\n0.684127 0.912698 0.818634 O\n0.335964 0.561131 0.707250 O\n0.092808 0.307596 0.944385 O\n0.446530 0.665001 0.060404 O\n0.836159 0.057214 0.187180 O\n0.201191 0.424447 0.294000 O\n0.586219 0.815327 0.434375 O\n0.944825 0.186221 0.565841 O\n0.798809 0.575553 0.706000 O\n0.413781 0.184673 0.565625 O\n0.163841 0.942786 0.812820 O\n0.553470 0.334999 0.939596 O\n0.907192 0.692404 0.055615 O\n0.315873 0.087302 0.181366 O\n0.664036 0.438869 0.292750 O\n0.055175 0.813779 0.434159 O\n",
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"volume": 284.4762982310321,
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"formula_full": "Li9 Co7 O16",
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}