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{
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"updated_at": "2022-09-04T16:03:14.747411Z",
"structure_string": "Sm4 Zn2 Rh2 O12\n1.0\n5.414471 0.000000 0.000000\n0.000000 5.729857 0.000000\n-5.413969 0.000000 7.741559\nO Rh Sm Zn\n12 2 4 2\ndirect\n0.749240 0.807591 0.055239 O\n0.873297 0.298203 0.057443 O\n0.358547 0.965029 0.246612 O\n0.641453 0.465029 0.253388 O\n0.126703 0.798203 0.442557 O\n0.250760 0.307591 0.444761 O\n0.749240 0.692409 0.555239 O\n0.873297 0.201797 0.557443 O\n0.358547 0.534971 0.746612 O\n0.641453 0.034971 0.753388 O\n0.126703 0.701797 0.942557 O\n0.250760 0.192409 0.944761 O\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.770159 0.072351 0.249046 Sm\n0.229841 0.572351 0.250954 Sm\n0.770159 0.427649 0.749046 Sm\n0.229841 0.927649 0.750954 Sm\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
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"structure_string": "Sm4 Ti2 Zn2 O12\n1.0\n5.391841 0.000000 0.000000\n0.000000 5.695179 0.000000\n-5.333050 0.000000 7.736225\nO Sm Ti Zn\n12 4 2 2\ndirect\n0.847250 0.311974 0.051454 O\n0.743317 0.791373 0.057663 O\n0.637081 0.464354 0.242882 O\n0.362919 0.964354 0.257118 O\n0.256683 0.291373 0.442337 O\n0.152750 0.811974 0.448546 O\n0.847250 0.188026 0.551454 O\n0.743317 0.708627 0.557663 O\n0.637081 0.035646 0.742882 O\n0.362919 0.535646 0.757118 O\n0.256683 0.208627 0.942337 O\n0.152750 0.688026 0.948546 O\n0.230874 0.565814 0.248447 Sm\n0.769126 0.065814 0.251553 Sm\n0.230874 0.934186 0.748447 Sm\n0.769126 0.434186 0.751553 Sm\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
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"structure_string": "Eu4 Fe2 W2 O12\n1.0\n5.556416 0.000000 0.000000\n0.000000 5.534610 0.000000\n-5.541467 0.000000 7.839370\nEu Fe O W\n4 2 12 2\ndirect\n0.755394 0.959412 0.247001 Eu\n0.244606 0.459412 0.252999 Eu\n0.755394 0.540588 0.747001 Eu\n0.244606 0.040588 0.752999 Eu\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.766634 0.208029 0.042432 O\n0.844612 0.722584 0.045380 O\n0.320185 0.018438 0.237841 O\n0.679815 0.518438 0.262159 O\n0.155388 0.222584 0.454620 O\n0.233366 0.708029 0.457568 O\n0.766634 0.291971 0.542432 O\n0.844612 0.777416 0.545380 O\n0.320185 0.481562 0.737841 O\n0.679815 0.981562 0.762159 O\n0.155388 0.277416 0.954620 O\n0.233366 0.791971 0.957568 O\n0.000000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n",
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"structure_string": "Mn2 Ni2 Sn4 O12\n1.0\n5.192303 0.000000 0.000000\n0.000000 5.380716 0.000000\n-5.032829 0.000000 7.863917\nMn Ni O Sn\n2 2 12 4\ndirect\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.395674 0.315092 0.068678 O\n0.289688 0.816943 0.093290 O\n0.900442 0.911789 0.244608 O\n0.099558 0.411789 0.255392 O\n0.710312 0.316943 0.406710 O\n0.604326 0.815092 0.431322 O\n0.395674 0.184908 0.568678 O\n0.289688 0.683057 0.593290 O\n0.900442 0.588211 0.744608 O\n0.099558 0.088211 0.755392 O\n0.710312 0.183057 0.906710 O\n0.604326 0.684908 0.931322 O\n0.711505 0.565300 0.237425 Sn\n0.288495 0.065300 0.262575 Sn\n0.711505 0.934700 0.737425 Sn\n0.288495 0.434700 0.762575 Sn\n",
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"structure_string": "Ce2 Eu4 Ir2 O12\n1.0\n5.746995 0.000000 0.000000\n0.000000 5.935292 0.000000\n-5.560045 0.000000 8.220232\nCe Eu Ir O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.226955 0.440572 0.247847 Eu\n0.773045 0.940572 0.252153 Eu\n0.226955 0.059428 0.747847 Eu\n0.773045 0.559428 0.752153 Eu\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.781710 0.181426 0.059524 O\n0.892616 0.720669 0.063757 O\n0.339764 0.041738 0.223917 O\n0.660236 0.541738 0.276083 O\n0.107384 0.220669 0.436243 O\n0.218290 0.681426 0.440476 O\n0.781710 0.318574 0.559524 O\n0.892616 0.779331 0.563757 O\n0.339764 0.458262 0.723917 O\n0.660236 0.958262 0.776083 O\n0.107384 0.279331 0.936243 O\n0.218290 0.818574 0.940476 O\n",
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"structure_string": "Sr4 Fe2 Re2 O12\n1.0\n5.583588 0.000000 0.000000\n0.001493 5.584363 0.000000\n0.002224 0.000472 7.892399\nFe O Re Sr\n2 12 2 4\ndirect\n0.047006 0.051861 0.497042 Fe\n0.546708 0.552013 0.997387 Fe\n0.046936 0.051661 0.243911 O\n0.547308 0.551803 0.250568 O\n0.295158 0.793332 0.496698 O\n0.788201 0.803950 0.496956 O\n0.306214 0.299666 0.497300 O\n0.799835 0.311249 0.497546 O\n0.547562 0.552845 0.743961 O\n0.045157 0.050912 0.750280 O\n0.290525 0.302113 0.996155 O\n0.297321 0.808963 0.996447 O\n0.797467 0.296550 0.997946 O\n0.803115 0.802708 0.998210 O\n0.547026 0.551803 0.497261 Re\n0.046731 0.052107 0.997253 Re\n0.045872 0.552123 0.246445 Sr\n0.547173 0.051039 0.246522 Sr\n0.046307 0.552316 0.747843 Sr\n0.547033 0.051270 0.747860 Sr\n",
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"structure_string": "Nd4 Ti2 Mn2 O12\n1.0\n5.466267 0.000000 0.000000\n0.000000 5.751764 0.000000\n-5.432657 0.000000 7.843421\nMn Nd O Ti\n2 4 12 2\ndirect\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.232687 0.938327 0.248521 Nd\n0.767313 0.438327 0.251479 Nd\n0.232687 0.561673 0.748521 Nd\n0.767313 0.061673 0.751479 Nd\n0.842279 0.187583 0.050086 O\n0.741865 0.711845 0.056985 O\n0.636793 0.035520 0.239735 O\n0.363207 0.535520 0.260265 O\n0.258135 0.211845 0.443015 O\n0.157721 0.687583 0.449914 O\n0.842279 0.312417 0.550086 O\n0.741865 0.788155 0.556985 O\n0.636793 0.464480 0.739735 O\n0.363207 0.964480 0.760265 O\n0.258135 0.288155 0.943015 O\n0.157721 0.812417 0.949914 O\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n",
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"formula_reduced": "Nd2TiMnO6",
"formula_anonymous": "ABC2D6",
"formation_energy": -3.2759338176270667,
"spacegroup": 14
}
]
}