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{
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{
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{
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{
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"structure_string": "Li12 Tb12 Te8 O48\n1.0\n-6.226689 6.226689 6.226689\n6.226689 -6.226689 6.226689\n6.226689 6.226689 -6.226689\nLi Tb Te O\n12 12 8 48\ndirect\n0.250000 0.625000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.375000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.375000 0.125000 Tb\n0.750000 0.625000 0.875000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.250000 0.375000 Tb\n0.375000 0.750000 0.125000 Tb\n0.250000 0.875000 0.625000 Tb\n0.875000 0.750000 0.625000 Tb\n0.625000 0.250000 0.875000 Tb\n0.375000 0.125000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.125000 0.375000 0.750000 Tb\n0.875000 0.625000 0.250000 Tb\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.472944 0.379783 0.301269 O\n0.527056 0.620217 0.698731 O\n0.578515 0.171676 0.198731 O\n0.921485 0.120217 0.593161 O\n0.301269 0.472944 0.379783 O\n0.328324 0.921485 0.301269 O\n0.421485 0.828324 0.801269 O\n0.078515 0.879783 0.406839 O\n0.698731 0.527056 0.620217 O\n0.671676 0.078515 0.698731 O\n0.027056 0.328324 0.906839 O\n0.198731 0.578515 0.171676 O\n0.120217 0.027056 0.198731 O\n0.972944 0.671676 0.093161 O\n0.801269 0.421485 0.828324 O\n0.879783 0.972944 0.801269 O\n0.593161 0.921485 0.120217 O\n0.171676 0.472944 0.593161 O\n0.406839 0.078515 0.879783 O\n0.828324 0.527056 0.406839 O\n0.906839 0.027056 0.328324 O\n0.379783 0.578515 0.906839 O\n0.093161 0.972944 0.671676 O\n0.620217 0.421485 0.093161 O\n0.379783 0.301269 0.472944 O\n0.578515 0.906839 0.379783 O\n0.620217 0.698731 0.527056 O\n0.421485 0.093161 0.620217 O\n0.120217 0.593161 0.921485 O\n0.027056 0.198731 0.120217 O\n0.879783 0.406839 0.078515 O\n0.972944 0.801269 0.879783 O\n0.328324 0.906839 0.027056 O\n0.921485 0.301269 0.328324 O\n0.671676 0.093161 0.972944 O\n0.078515 0.698731 0.671676 O\n0.171676 0.198731 0.578515 O\n0.472944 0.593161 0.171676 O\n0.828324 0.801269 0.421485 O\n0.527056 0.406839 0.828324 O\n0.301269 0.328324 0.921485 O\n0.698731 0.671676 0.078515 O\n0.198731 0.120217 0.027056 O\n0.801269 0.879783 0.972944 O\n0.906839 0.379783 0.578515 O\n0.093161 0.620217 0.421485 O\n0.593161 0.171676 0.472944 O\n0.406839 0.828324 0.527056 O\n",
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"density_atomic": 0.08284350614953712,
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"formula_full": "Li12 Tb12 Te8 O48",
"formula_reduced": "Li3Tb3(TeO6)2",
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"updated_at": "2021-11-28T01:34:24.880000Z",
"spacegroup": 230
},
{
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"created_at": "2022-09-04T14:39:30.729130Z",
"structure_string": "Er2 Fe2 Ni2\n1.0\n-2.444190 2.584617 3.656323\n2.444190 -2.584617 3.656323\n2.444190 2.584617 -3.656323\nEr Fe Ni\n2 2 2\ndirect\n0.128302 0.878302 0.250000 Er\n0.871698 0.121698 0.750000 Er\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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"formula_full": "Er2 Fe2 Ni2",
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{
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"created_at": "2022-09-04T14:39:30.728658Z",
"structure_string": "Ti7 B8 Ir2 Rh4\n1.0\n3.199312 0.000000 0.000000\n0.000000 9.264926 0.000000\n0.000000 4.625219 8.033046\nTi B Ir Rh\n7 8 2 4\ndirect\n0.000000 0.999814 0.000264 Ti\n0.000000 0.275517 0.084774 Ti\n0.000000 0.639670 0.275216 Ti\n0.000000 0.085410 0.638919 Ti\n0.000000 0.725125 0.913692 Ti\n0.000000 0.361184 0.724692 Ti\n0.000000 0.913488 0.361537 Ti\n0.500000 0.216981 0.936084 B\n0.500000 0.846713 0.217113 B\n0.500000 0.936226 0.846790 B\n0.500000 0.782476 0.063820 B\n0.500000 0.152995 0.783382 B\n0.500000 0.063878 0.153540 B\n0.000000 0.333192 0.333212 B\n0.000000 0.666735 0.666693 B\n0.500000 0.154716 0.353382 Ir\n0.500000 0.492633 0.154876 Ir\n0.500000 0.353186 0.492448 Rh\n0.500000 0.844619 0.646288 Rh\n0.500000 0.509361 0.844057 Rh\n0.500000 0.646082 0.509217 Rh\n",
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}