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{
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{
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{
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"structure_string": "Mg6 Nb1 Sn1 O8\n1.0\n9.041703 0.000000 0.000000\n0.000000 4.502171 0.000000\n0.000000 0.000000 4.502171\nMg Nb Sn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254364 0.000000 0.500000 Mg\n0.745636 -0.000000 0.500000 Mg\n0.254364 0.500000 0.000000 Mg\n0.745636 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 Nb\n0.000000 0.000000 0.000000 Sn\n0.259125 -0.000000 0.000000 O\n0.740875 0.000000 -0.000000 O\n0.249728 0.500000 0.500000 O\n0.750272 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Mg6 Nb1 Sn1 O8",
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{
"id": "mp-754818",
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"structure_string": "Na4 Ta4 O12\n1.0\n0.000000 5.248795 5.248795\n5.248795 0.000000 5.248795\n5.248795 5.248795 0.000000\nNa Ta O\n4 4 12\ndirect\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.625000 Na\n0.625000 0.625000 0.125000 Na\n0.625000 0.125000 0.625000 Na\n0.125000 0.125000 0.125000 Ta\n0.625000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.125000 0.625000 0.125000 Ta\n0.805110 0.194890 0.194890 O\n0.444890 0.055110 0.444890 O\n0.444890 0.444890 0.055110 O\n0.055110 0.055110 0.444890 O\n0.055110 0.444890 0.055110 O\n0.194890 0.805110 0.805110 O\n0.055110 0.444890 0.444890 O\n0.194890 0.805110 0.194890 O\n0.805110 0.805110 0.194890 O\n0.194890 0.194890 0.805110 O\n0.805110 0.194890 0.805110 O\n0.444890 0.055110 0.055110 O\n",
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"updated_at": "2021-11-28T01:39:44.318000Z",
"spacegroup": 227
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{
"id": "mp-1013795",
"created_at": "2022-09-04T14:48:29.563043Z",
"structure_string": "Li12 Ge12 Mo8 O48\n1.0\n-6.188598 6.188598 6.188598\n6.188598 -6.188598 6.188598\n6.188598 6.188598 -6.188598\nLi Ge Mo O\n12 12 8 48\ndirect\n0.750000 0.625000 0.875000 Li\n0.250000 0.875000 0.625000 Li\n0.625000 0.250000 0.875000 Li\n0.875000 0.750000 0.625000 Li\n0.875000 0.625000 0.250000 Li\n0.625000 0.875000 0.750000 Li\n0.250000 0.375000 0.125000 Li\n0.750000 0.125000 0.375000 Li\n0.375000 0.750000 0.125000 Li\n0.125000 0.250000 0.375000 Li\n0.125000 0.375000 0.750000 Li\n0.375000 0.125000 0.250000 Li\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.250000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.516748 0.398067 0.814674 O\n0.814674 0.516748 0.398067 O\n0.797926 0.881318 0.983252 O\n0.416608 0.101933 0.618682 O\n0.881318 0.398067 0.083392 O\n0.685326 0.083392 0.702074 O\n0.814674 0.797926 0.416608 O\n0.398067 0.814674 0.516748 O\n0.618682 0.702074 0.516748 O\n0.416608 0.814674 0.797926 O\n0.398067 0.083392 0.881318 O\n0.101933 0.983252 0.685326 O\n0.983252 0.685326 0.101933 O\n0.797926 0.416608 0.814674 O\n0.516748 0.618682 0.702074 O\n0.702074 0.516748 0.618682 O\n0.083392 0.881318 0.398067 O\n0.983252 0.797926 0.881318 O\n0.083392 0.702074 0.685326 O\n0.381318 0.297926 0.483252 O\n0.618682 0.416608 0.101933 O\n0.101933 0.618682 0.416608 O\n0.702074 0.685326 0.083392 O\n0.685326 0.101933 0.983252 O\n0.483252 0.601933 0.185326 O\n0.185326 0.483252 0.601933 O\n0.202074 0.118682 0.016748 O\n0.583392 0.898067 0.381318 O\n0.118682 0.601933 0.916608 O\n0.314674 0.916608 0.297926 O\n0.185326 0.202074 0.583392 O\n0.601933 0.185326 0.483252 O\n0.314674 0.898067 0.016748 O\n0.297926 0.314674 0.916608 O\n0.898067 0.381318 0.583392 O\n0.118682 0.016748 0.202074 O\n0.381318 0.583392 0.898067 O\n0.916608 0.297926 0.314674 O\n0.016748 0.202074 0.118682 O\n0.916608 0.118682 0.601933 O\n0.297926 0.483252 0.381318 O\n0.483252 0.381318 0.297926 O\n0.202074 0.583392 0.185326 O\n0.016748 0.314674 0.898067 O\n0.898067 0.016748 0.314674 O\n0.601933 0.916608 0.118682 O\n0.583392 0.185326 0.202074 O\n0.881318 0.983252 0.797926 O\n",
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"formula_full": "Li12 Ge12 Mo8 O48",
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{
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"structure_string": "Y16 B4 Br24\n1.0\n5.654757 9.159224 0.000000\n-5.654757 9.159224 0.000000\n0.000000 1.417840 12.567282\nY B Br\n16 4 24\ndirect\n0.711200 0.470088 0.191578 Y\n0.529912 0.288800 0.308422 Y\n0.288800 0.529912 0.808422 Y\n0.470088 0.711200 0.691578 Y\n0.783761 0.543228 0.453517 Y\n0.456772 0.216239 0.046483 Y\n0.216239 0.456772 0.546483 Y\n0.543228 0.783761 0.953517 Y\n0.581008 0.359486 0.587672 Y\n0.640514 0.418992 0.912328 Y\n0.418992 0.640514 0.412328 Y\n0.359486 0.581008 0.087672 Y\n0.116622 0.811170 0.604589 Y\n0.188830 0.883378 0.895411 Y\n0.883378 0.188830 0.395411 Y\n0.811170 0.116622 0.104589 Y\n0.660403 0.412226 0.394350 B\n0.587774 0.339597 0.105650 B\n0.339597 0.587774 0.605650 B\n0.412226 0.660403 0.894350 B\n0.142981 0.379533 0.748255 Br\n0.620467 0.857019 0.751745 Br\n0.857019 0.620467 0.251745 Br\n0.379533 0.142981 0.248255 Br\n0.158695 0.913836 0.396583 Br\n0.086164 0.841305 0.103417 Br\n0.841305 0.086164 0.603417 Br\n0.913836 0.158695 0.896583 Br\n0.052765 0.308239 0.466380 Br\n0.691761 0.947235 0.033620 Br\n0.947235 0.691761 0.533620 Br\n0.308239 0.052765 0.966380 Br\n0.984060 0.225224 0.180893 Br\n0.774776 0.015940 0.319107 Br\n0.015940 0.774776 0.819107 Br\n0.225224 0.984060 0.680893 Br\n0.469355 0.747022 0.184749 Br\n0.252978 0.530645 0.315251 Br\n0.530645 0.252978 0.815251 Br\n0.747022 0.469355 0.684749 Br\n0.806090 0.546453 0.974354 Br\n0.453547 0.193910 0.525646 Br\n0.193910 0.453547 0.025646 Br\n0.546453 0.806090 0.474354 Br\n",
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{
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{
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"structure_string": "Ca3 Mn2 Ir2 O12\n1.0\n5.370891 0.000000 0.000000\n-0.095685 5.505330 0.000000\n-0.009498 -0.008287 7.708221\nCa Mn Ir O\n3 2 2 12\ndirect\n0.009362 0.947903 0.249440 Ca\n0.482781 0.444835 0.250850 Ca\n0.987968 0.052130 0.750890 Ca\n0.996761 0.499480 0.992634 Mn\n0.501291 0.989529 0.506977 Mn\n0.997422 0.500108 0.506813 Ir\n0.501310 0.993828 0.993569 Ir\n0.091939 0.482479 0.744530 O\n0.207554 0.197948 0.043083 O\n0.197060 0.208444 0.456257 O\n0.293245 0.710518 0.054464 O\n0.285528 0.708313 0.444290 O\n0.409444 0.966847 0.754720 O\n0.582963 0.023701 0.245366 O\n0.708829 0.293671 0.547295 O\n0.701037 0.289206 0.953415 O\n0.805288 0.810604 0.964888 O\n0.816450 0.803325 0.535432 O\n0.908673 0.515819 0.254945 O\n",
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{
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{
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