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{
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{
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{
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"structure_string": "Li4 Pr4 Ge6\n1.0\n2.240669 -9.445292 0.000000\n2.240669 9.445292 0.000000\n0.000000 0.000000 7.003361\nLi Pr Ge\n4 4 6\ndirect\n0.809572 0.190428 0.438145 Li\n0.190428 0.809572 0.561855 Li\n0.809572 0.190428 0.061855 Li\n0.190428 0.809572 0.938145 Li\n0.551909 0.448091 0.750000 Pr\n0.448091 0.551909 0.250000 Pr\n0.341915 0.658085 0.750000 Pr\n0.658085 0.341915 0.250000 Pr\n0.938559 0.061441 0.931368 Ge\n0.061441 0.938559 0.068632 Ge\n0.938559 0.061441 0.568632 Ge\n0.061441 0.938559 0.431368 Ge\n0.719893 0.280107 0.750000 Ge\n0.280107 0.719893 0.250000 Ge\n",
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{
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"structure_string": "Li7 Ti12 Nb1 O30\n1.0\n23.614294 -2.570398 0.000000\n23.614294 2.570398 0.000000\n23.334508 0.000000 4.443259\nLi Ti Nb O\n7 12 1 30\ndirect\n0.025842 0.025842 0.025842 Li\n0.245702 0.245702 0.245702 Li\n0.608413 0.608413 0.608413 Li\n0.390899 0.390899 0.390899 Li\n0.526255 0.526255 0.526255 Li\n0.973839 0.973839 0.973839 Li\n0.890112 0.890112 0.890112 Li\n0.104928 0.104928 0.104928 Ti\n0.162054 0.162054 0.162054 Ti\n0.203838 0.203838 0.203838 Ti\n0.065052 0.065052 0.065052 Ti\n0.296013 0.296013 0.296013 Ti\n0.662165 0.662165 0.662165 Ti\n0.338203 0.338203 0.338203 Ti\n0.432449 0.432449 0.432449 Ti\n0.566219 0.566219 0.566219 Ti\n0.704392 0.704392 0.704392 Ti\n0.797724 0.797724 0.797724 Ti\n0.838054 0.838054 0.838054 Ti\n0.932094 0.932094 0.932094 Nb\n0.595788 0.005968 0.350838 O\n0.759563 0.015747 0.374778 O\n0.350838 0.595788 0.005968 O\n0.904728 0.148925 0.495377 O\n0.005968 0.350838 0.595788 O\n0.869816 0.254712 0.625115 O\n0.779362 0.111944 0.457383 O\n0.506404 0.067821 0.876107 O\n0.621757 0.244109 0.985168 O\n0.762954 0.327510 0.163900 O\n0.879755 0.507746 0.263551 O\n0.985168 0.621757 0.244109 O\n0.876107 0.506404 0.067821 O\n0.507746 0.263551 0.879755 O\n0.327510 0.163900 0.762954 O\n0.625115 0.869816 0.254712 O\n0.457383 0.779362 0.111944 O\n0.148925 0.495377 0.904728 O\n0.015747 0.374778 0.759563 O\n0.111944 0.457383 0.779362 O\n0.254712 0.625115 0.869816 O\n0.374778 0.759563 0.015747 O\n0.495377 0.904728 0.148925 O\n0.263551 0.879755 0.507746 O\n0.163900 0.762954 0.327510 O\n0.994757 0.648115 0.406705 O\n0.067821 0.876107 0.506404 O\n0.648115 0.406705 0.994757 O\n0.244109 0.985168 0.621757 O\n0.406705 0.994757 0.648115 O\n",
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{
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{
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{
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"structure_string": "Ba24 Br16 O16\n1.0\n10.696614 0.000000 0.000000\n0.000000 12.773681 0.000000\n0.000000 5.414836 13.366332\nBa Br O\n24 16 16\ndirect\n0.818959 0.010251 0.368613 Ba\n0.416065 0.092418 0.376476 Ba\n0.108996 0.208413 0.140137 Ba\n0.681041 0.010251 0.868613 Ba\n0.474781 0.339230 0.079076 Ba\n0.083935 0.092418 0.876476 Ba\n0.391004 0.208413 0.640137 Ba\n0.943913 0.423474 0.275935 Ba\n0.025219 0.339230 0.579076 Ba\n0.158199 0.564705 0.016212 Ba\n0.658199 0.435295 0.483788 Ba\n0.443913 0.576526 0.224065 Ba\n0.556087 0.423474 0.775935 Ba\n0.341801 0.564705 0.516212 Ba\n0.841801 0.435295 0.983788 Ba\n0.974781 0.660770 0.420924 Ba\n0.056087 0.576526 0.724065 Ba\n0.608996 0.791587 0.359863 Ba\n0.916065 0.907582 0.123524 Ba\n0.525219 0.660770 0.920924 Ba\n0.318959 0.989749 0.131387 Ba\n0.891004 0.791587 0.859863 Ba\n0.583935 0.907582 0.623524 Ba\n0.181041 0.989749 0.631387 Ba\n0.772442 0.151450 0.121073 Br\n0.067667 0.152363 0.389806 Br\n0.727558 0.151450 0.621073 Br\n0.627177 0.320473 0.299317 Br\n0.432333 0.152363 0.889806 Br\n0.266076 0.382392 0.402798 Br\n0.872823 0.320473 0.799317 Br\n0.766076 0.617608 0.097202 Br\n0.233924 0.382392 0.902798 Br\n0.127177 0.679527 0.200683 Br\n0.733924 0.617608 0.597202 Br\n0.567667 0.847637 0.110194 Br\n0.372823 0.679527 0.700683 Br\n0.272442 0.848550 0.378927 Br\n0.932333 0.847637 0.610194 Br\n0.227558 0.848550 0.878927 Br\n0.102913 0.042244 0.071192 O\n0.338615 0.155429 0.181870 O\n0.397087 0.042244 0.571192 O\n0.161385 0.155429 0.681870 O\n0.022411 0.402388 0.118102 O\n0.392384 0.527594 0.072123 O\n0.892384 0.472406 0.427877 O\n0.477589 0.402388 0.618102 O\n0.522411 0.597612 0.381898 O\n0.107616 0.527594 0.572123 O\n0.607616 0.472406 0.927877 O\n0.977589 0.597612 0.881898 O\n0.838615 0.844571 0.318130 O\n0.602913 0.957756 0.428808 O\n0.661385 0.844571 0.818130 O\n0.897087 0.957756 0.928808 O\n",
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],
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{
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"formula_full": "Ba4 Ca4 La4 Sb4 O24",
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},
{
"id": "mp-676206",
"created_at": "2022-09-04T14:48:28.398031Z",
"structure_string": "Rb4 Ag16 I20\n1.0\n11.417882 0.000000 0.000000\n-0.101459 11.703284 0.000000\n-0.020598 -0.054828 11.797249\nRb Ag I\n4 16 20\ndirect\n0.978706 0.006585 0.011164 Rb\n0.738120 0.495881 0.245323 Rb\n0.518042 0.752766 0.741854 Rb\n0.266961 0.243806 0.499033 Rb\n0.881803 0.273271 0.592851 Ag\n0.829908 0.890630 0.571996 Ag\n0.766871 0.864333 0.327014 Ag\n0.671882 0.135968 0.216558 Ag\n0.667801 0.095013 0.609020 Ag\n0.612801 0.325769 0.906783 Ag\n0.409550 0.917332 0.330834 Ag\n0.355020 0.584073 0.118342 Ag\n0.340100 0.213513 0.126372 Ag\n0.237776 0.286040 0.897937 Ag\n0.204975 0.808140 0.203862 Ag\n0.194070 0.575540 0.924563 Ag\n0.103712 0.757790 0.785275 Ag\n0.040727 0.406019 0.802624 Ag\n0.087553 0.672831 0.390388 Ag\n0.060929 0.581996 0.618601 Ag\n0.003150 0.435538 0.439247 I\n0.954460 0.745298 0.199658 I\n0.916365 0.601251 0.835094 I\n0.842195 0.092918 0.413181 I\n0.802080 0.256111 0.049964 I\n0.756274 0.954125 0.791267 I\n0.703980 0.697063 0.490229 I\n0.658755 0.334091 0.665798 I\n0.589409 0.912234 0.166881 I\n0.553806 0.552312 0.988988 I\n0.497590 0.293979 0.292982 I\n0.444874 0.995280 0.553259 I\n0.432299 0.150506 0.912983 I\n0.340380 0.662014 0.342597 I\n0.288381 0.502202 0.708585 I\n0.261498 0.813107 0.957275 I\n0.198848 0.049218 0.248168 I\n0.162140 0.411848 0.094198 I\n0.083981 0.843326 0.568481 I\n0.059729 0.180681 0.745168 I\n",
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"formula_full": "Rb4 Ag16 I20",
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"updated_at": "2021-11-28T01:39:42.563000Z",
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}
]
}