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{
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{
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{
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"structure_string": "Sr1 Mg14 Sn1\n1.0\n6.574970 0.049271 0.000000\n-3.244815 5.620184 0.000000\n0.000000 0.000000 10.576009\nSr Mg Sn\n1 14 1\ndirect\n0.164167 0.832083 0.125000 Sr\n0.163828 0.331914 0.625000 Mg\n0.165918 0.832959 0.625000 Mg\n0.663331 0.336331 0.125000 Mg\n0.667320 0.331757 0.625000 Mg\n0.663331 0.826999 0.125000 Mg\n0.667320 0.835562 0.625000 Mg\n0.336930 0.172932 0.385660 Mg\n0.336930 0.172932 0.864340 Mg\n0.336930 0.663998 0.385660 Mg\n0.336930 0.663998 0.864340 Mg\n0.832848 0.166424 0.372505 Mg\n0.832848 0.166424 0.877495 Mg\n0.826351 0.663176 0.385988 Mg\n0.826351 0.663176 0.864012 Mg\n0.178669 0.339334 0.125000 Sn\n",
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{
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{
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"structure_string": "Al2 H6 O6\n1.0\n5.039579 0.000000 0.000000\n-2.469900 4.455216 0.000000\n-0.828666 -2.144366 4.841484\nAl H O\n2 6 6\ndirect\n0.171516 0.333993 0.002158 Al\n0.828484 0.666007 0.997842 Al\n0.585985 0.913914 0.797798 H\n0.089078 0.630902 0.406840 H\n0.414015 0.086086 0.202202 H\n0.910922 0.369098 0.593160 H\n0.662714 0.781952 0.414095 H\n0.337286 0.218048 0.585905 H\n0.226145 0.096509 0.210173 O\n0.041832 0.524347 0.784080 O\n0.958168 0.475653 0.215920 O\n0.415062 0.266648 0.784445 O\n0.773855 0.903491 0.789827 O\n0.584938 0.733352 0.215555 O\n",
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{
"id": "mp-1045883",
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"structure_string": "Zn2 P8 W2 O24\n1.0\n4.415732 6.359068 0.000000\n-4.415732 6.359068 0.000000\n0.000000 4.906359 9.177221\nZn P W O\n2 8 2 24\ndirect\n0.985215 0.014785 0.750000 Zn\n0.014785 0.985215 0.250000 Zn\n0.327081 0.312996 0.690630 P\n0.687004 0.672919 0.809370 P\n0.672919 0.687004 0.309370 P\n0.312996 0.327081 0.190630 P\n0.717689 0.275576 0.470738 P\n0.724424 0.282311 0.029262 P\n0.282311 0.724424 0.529262 P\n0.275576 0.717689 0.970738 P\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.333995 0.531412 0.658945 O\n0.468588 0.666005 0.841055 O\n0.666005 0.468588 0.341055 O\n0.531412 0.333995 0.158945 O\n0.507708 0.235498 0.567343 O\n0.764502 0.492292 0.932657 O\n0.492292 0.764502 0.432657 O\n0.235498 0.507708 0.067343 O\n0.352026 0.199927 0.838112 O\n0.800073 0.647974 0.661888 O\n0.647974 0.800073 0.161888 O\n0.199927 0.352026 0.338112 O\n0.148063 0.310975 0.664464 O\n0.689025 0.851937 0.835536 O\n0.851937 0.689025 0.335536 O\n0.310975 0.148063 0.164464 O\n0.797401 0.329188 0.558349 O\n0.670812 0.202599 0.941651 O\n0.202599 0.670812 0.441651 O\n0.329188 0.797401 0.058349 O\n0.825611 0.110339 0.410460 O\n0.889661 0.174389 0.089540 O\n0.174389 0.889661 0.589540 O\n0.110339 0.825611 0.910460 O\n",
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{
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"structure_string": "Li6 Sb4 P6 O24\n1.0\n2.841333 4.286546 0.000000\n-2.841333 4.286546 0.000000\n0.000000 0.043729 20.095018\nLi Sb P O\n6 4 6 24\ndirect\n0.000693 0.000693 0.162558 Li\n0.339402 0.339402 0.907140 Li\n0.337070 0.337070 0.239695 Li\n0.662930 0.662930 0.760305 Li\n0.999307 0.999307 0.837442 Li\n0.660598 0.660598 0.092860 Li\n0.000000 0.000000 0.500000 Sb\n0.991234 0.991234 0.325041 Sb\n0.008766 0.008766 0.674959 Sb\n0.000000 0.000000 0.000000 Sb\n0.353876 0.353876 0.757983 P\n0.354229 0.354229 0.084679 P\n0.355954 0.355954 0.410226 P\n0.644046 0.644046 0.589774 P\n0.645771 0.645771 0.915321 P\n0.646124 0.646124 0.242017 P\n0.689596 0.235797 0.413964 O\n0.687812 0.249963 0.755952 O\n0.688577 0.248393 0.085261 O\n0.751607 0.311423 0.914739 O\n0.764203 0.310404 0.586036 O\n0.750037 0.312188 0.244048 O\n0.750171 0.750171 0.528491 O\n0.752995 0.752995 0.855115 O\n0.748781 0.748781 0.180600 O\n0.275326 0.275326 0.341760 O\n0.746529 0.746529 0.306368 O\n0.735686 0.735686 0.983074 O\n0.724674 0.724674 0.658240 O\n0.249829 0.249829 0.471509 O\n0.253471 0.253471 0.693632 O\n0.251219 0.251219 0.819400 O\n0.264314 0.264314 0.016926 O\n0.247005 0.247005 0.144885 O\n0.310404 0.764203 0.586036 O\n0.312188 0.750037 0.244048 O\n0.311423 0.751607 0.914739 O\n0.235797 0.689596 0.413964 O\n0.248393 0.688577 0.085261 O\n0.249963 0.687812 0.755952 O\n",
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{
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{
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{
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"structure_string": "Ti4 Te12 O32\n1.0\n-5.613046 5.613046 5.613046\n5.613046 -5.613046 5.613046\n5.613046 5.613046 -5.613046\nTi Te O\n4 12 32\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.796036 0.546036 0.250000 Te\n0.546036 0.250000 0.796036 Te\n0.046036 0.250000 0.296036 Te\n0.750000 0.203964 0.453964 Te\n0.296036 0.046036 0.250000 Te\n0.250000 0.296036 0.046036 Te\n0.203964 0.453964 0.750000 Te\n0.453964 0.750000 0.203964 Te\n0.750000 0.703964 0.953964 Te\n0.703964 0.953964 0.750000 Te\n0.250000 0.796036 0.546036 Te\n0.953964 0.750000 0.703964 Te\n0.656360 0.500000 0.000000 O\n0.843640 0.843640 0.843640 O\n0.000000 0.656360 0.500000 O\n0.500000 0.000000 0.656360 O\n0.343640 0.500000 0.000000 O\n0.156360 0.156360 0.156360 O\n0.000000 0.343640 0.500000 O\n0.500000 0.000000 0.343640 O\n0.157901 0.230220 0.695644 O\n0.034575 0.462257 0.804356 O\n0.342099 0.037743 0.072318 O\n0.804356 0.034575 0.462257 O\n0.230220 0.695644 0.157901 O\n0.269780 0.427682 0.465425 O\n0.427682 0.465425 0.269780 O\n0.462257 0.804356 0.034575 O\n0.534575 0.730220 0.572318 O\n0.304356 0.842099 0.769780 O\n0.962257 0.927682 0.657901 O\n0.927682 0.657901 0.962257 O\n0.537743 0.195644 0.965425 O\n0.572318 0.534575 0.730220 O\n0.730220 0.572318 0.534575 O\n0.769780 0.304356 0.842099 O\n0.195644 0.965425 0.537743 O\n0.657901 0.962257 0.927682 O\n0.965425 0.537743 0.195644 O\n0.842099 0.769780 0.304356 O\n0.465425 0.269780 0.427682 O\n0.695644 0.157901 0.230220 O\n0.037743 0.072318 0.342099 O\n0.072318 0.342099 0.037743 O\n",
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"volume_molar": 8.874940710756492,
"formula_full": "Ti4 Te12 O32",
"formula_reduced": "TiTe3O8",
"formula_anonymous": "AB3C8",
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"updated_at": "2021-11-28T01:37:47.451000Z",
"spacegroup": 206
},
{
"id": "mp-1101803",
"created_at": "2022-09-04T14:46:59.443902Z",
"structure_string": "Nd4 Ga4 Pd4\n1.0\n4.522646 0.000000 0.000000\n0.000000 7.127246 0.000000\n0.000000 0.000000 7.912098\nNd Ga Pd\n4 4 4\ndirect\n0.250000 0.023781 0.696417 Nd\n0.250000 0.523781 0.803583 Nd\n0.750000 0.976219 0.303583 Nd\n0.750000 0.476219 0.196417 Nd\n0.250000 0.168222 0.072114 Ga\n0.250000 0.668222 0.427886 Ga\n0.750000 0.831778 0.927886 Ga\n0.750000 0.331778 0.572114 Ga\n0.250000 0.279563 0.398719 Pd\n0.250000 0.779563 0.101281 Pd\n0.750000 0.720437 0.601281 Pd\n0.750000 0.220437 0.898719 Pd\n",
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],
"chemical_system": "Ga-Nd-Pd",
"density": 8.344018555150988,
"density_atomic": 0.047051691802552566,
"volume": 255.03865090243147,
"volume_molar": 12.79898879145786,
"formula_full": "Nd4 Ga4 Pd4",
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"total_magnetization": 8.92e-05,
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"updated_at": "2021-11-28T01:37:49.816000Z",
"spacegroup": 62
},
{
"id": "mp-1181002",
"created_at": "2022-09-04T14:46:59.386890Z",
"structure_string": "La4 Fe4 O12\n1.0\n4.046154 -0.001183 -0.001028\n-0.001268 6.759937 0.000508\n0.002973 0.000462 11.065070\nLa Fe O\n4 4 12\ndirect\n0.500382 0.000215 0.999999 La\n0.999853 0.499923 0.999846 La\n0.000394 0.499777 0.499891 La\n0.499746 0.000145 0.499883 La\n0.426104 0.311283 0.249910 Fe\n0.573862 0.688559 0.749841 Fe\n0.074610 0.811268 0.249926 Fe\n0.923937 0.189090 0.749944 Fe\n0.023641 0.165869 0.583835 O\n0.417143 0.015659 0.250162 O\n0.976706 0.834436 0.083719 O\n0.523825 0.334100 0.083615 O\n0.523881 0.334010 0.416320 O\n0.976412 0.834444 0.416323 O\n0.476155 0.665550 0.916319 O\n0.582693 0.984052 0.750236 O\n0.917133 0.484722 0.750177 O\n0.083182 0.515582 0.250187 O\n0.476674 0.665473 0.583576 O\n0.023668 0.165845 0.916291 O\n",
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],
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"formula_full": "La4 Fe4 O12",
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"updated_at": "2021-11-28T01:37:50.699000Z",
"spacegroup": 62
}
]
}