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{
"id": "mp-561433",
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"structure_string": "K2 Pu2 C2 O10\n1.0\n2.566463 -4.445244 0.000000\n2.566463 4.445244 0.000000\n0.000000 0.000000 10.563032\nK Pu C O\n2 2 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.250000 Pu\n0.666667 0.333333 0.750000 Pu\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.750000 C\n0.333333 0.666667 0.423017 O\n0.624716 0.812358 0.750000 O\n0.375284 0.187642 0.250000 O\n0.187642 0.375284 0.750000 O\n0.333333 0.666667 0.076983 O\n0.666667 0.333333 0.923017 O\n0.812358 0.624716 0.250000 O\n0.187642 0.812358 0.750000 O\n0.666667 0.333333 0.576983 O\n0.812358 0.187642 0.250000 O\n",
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{
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"structure_string": "Tb12 Ge24 Pt16\n1.0\n4.401550 0.000000 0.000000\n0.000000 8.869772 0.000000\n0.000000 0.000000 25.942302\nTb Ge Pt\n12 24 16\ndirect\n0.250000 0.374953 0.279833 Tb\n0.750000 0.625047 0.720167 Tb\n0.750000 0.874953 0.220167 Tb\n0.250000 0.125047 0.779833 Tb\n0.250000 0.134728 0.407540 Tb\n0.750000 0.865272 0.592460 Tb\n0.750000 0.634728 0.092460 Tb\n0.250000 0.365272 0.907540 Tb\n0.250000 0.613879 0.408085 Tb\n0.750000 0.386121 0.591915 Tb\n0.750000 0.113879 0.091915 Tb\n0.250000 0.886121 0.908085 Tb\n0.250000 0.727427 0.285613 Ge\n0.750000 0.272573 0.714387 Ge\n0.750000 0.227427 0.214387 Ge\n0.250000 0.772573 0.785613 Ge\n0.250000 0.374054 0.142401 Ge\n0.750000 0.625946 0.857599 Ge\n0.750000 0.874054 0.357599 Ge\n0.250000 0.125946 0.642401 Ge\n0.250000 0.022028 0.285388 Ge\n0.750000 0.977972 0.714612 Ge\n0.750000 0.522028 0.214612 Ge\n0.250000 0.477972 0.785388 Ge\n0.250000 0.873979 0.139014 Ge\n0.750000 0.126021 0.860986 Ge\n0.750000 0.373979 0.360986 Ge\n0.250000 0.626021 0.639014 Ge\n0.250000 0.127496 0.002921 Ge\n0.750000 0.872504 0.997079 Ge\n0.750000 0.627496 0.497079 Ge\n0.250000 0.372504 0.502921 Ge\n0.250000 0.877179 0.499068 Ge\n0.750000 0.122821 0.500932 Ge\n0.750000 0.377179 0.000932 Ge\n0.250000 0.622821 0.999068 Ge\n0.250000 0.626100 0.187421 Pt\n0.750000 0.373900 0.812579 Pt\n0.750000 0.126100 0.312579 Pt\n0.250000 0.873900 0.687421 Pt\n0.250000 0.628120 0.544555 Pt\n0.750000 0.371880 0.455445 Pt\n0.750000 0.128120 0.955445 Pt\n0.250000 0.871880 0.044555 Pt\n0.250000 0.122182 0.187419 Pt\n0.750000 0.877818 0.812581 Pt\n0.750000 0.622182 0.312581 Pt\n0.250000 0.377818 0.687419 Pt\n0.250000 0.378717 0.049154 Pt\n0.750000 0.621283 0.950846 Pt\n0.750000 0.878717 0.450846 Pt\n0.250000 0.121283 0.549154 Pt\n",
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{
"id": "mp-1043670",
"created_at": "2022-09-04T14:48:08.923122Z",
"structure_string": "Zn2 Ni8 O12\n1.0\n1.456814 -4.877556 0.000000\n1.456814 4.877556 0.000000\n0.000000 0.000000 14.899220\nZn Ni O\n2 8 12\ndirect\n0.343430 0.656570 0.750000 Zn\n0.656570 0.343430 0.250000 Zn\n0.136358 0.863642 0.044573 Ni\n0.595524 0.404476 0.634784 Ni\n0.863642 0.136358 0.955427 Ni\n0.404476 0.595524 0.365216 Ni\n0.136358 0.863642 0.455427 Ni\n0.863642 0.136358 0.544573 Ni\n0.404476 0.595524 0.134784 Ni\n0.595524 0.404476 0.865216 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.953748 0.046252 0.839525 O\n0.046252 0.953748 0.160475 O\n0.046252 0.953748 0.339525 O\n0.953748 0.046252 0.660475 O\n0.221568 0.778432 0.923890 O\n0.778432 0.221568 0.076110 O\n0.778432 0.221568 0.423890 O\n0.221568 0.778432 0.576110 O\n0.697182 0.302818 0.750000 O\n0.302818 0.697182 0.250000 O\n",
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"formula_full": "Zn2 Ni8 O12",
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{
"id": "mp-1220447",
"created_at": "2022-09-04T14:48:08.923684Z",
"structure_string": "Nd1 Fe3 O6\n1.0\n-2.681542 -4.644566 0.000000\n5.363083 0.000000 0.000000\n2.681542 1.548189 4.682759\nNd Fe O\n1 3 6\ndirect\n0.119260 0.880740 0.357781 Nd\n0.648897 0.351103 0.946691 Fe\n0.857508 0.142492 0.572524 Fe\n0.346452 0.653548 0.039357 Fe\n0.239902 0.048357 0.772085 O\n0.580540 0.760098 0.772085 O\n0.951643 0.419460 0.772085 O\n0.513415 0.320409 0.255797 O\n0.062792 0.486585 0.255797 O\n0.679591 0.937208 0.255797 O\n",
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"volume": 116.64374750202533,
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"formula_full": "Nd1 Fe3 O6",
"formula_reduced": "Nd(FeO2)3",
"formula_anonymous": "AB3C6",
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{
"id": "mp-1201612",
"created_at": "2022-09-04T14:48:08.930624Z",
"structure_string": "Cs16 Fe16 O32\n1.0\n6.046041 0.000000 0.000000\n0.000000 12.134242 0.000000\n0.000000 0.000000 17.148859\nCs Fe O\n16 16 32\ndirect\n0.250159 0.004725 0.437335 Cs\n0.750159 0.495275 0.562665 Cs\n0.749841 0.504725 0.062665 Cs\n0.249841 0.995275 0.937335 Cs\n0.749841 0.995275 0.562665 Cs\n0.249841 0.504725 0.437335 Cs\n0.250159 0.495275 0.937335 Cs\n0.750159 0.004725 0.062665 Cs\n0.789080 0.255067 0.187014 Cs\n0.289080 0.244933 0.812986 Cs\n0.210920 0.755067 0.312986 Cs\n0.710920 0.744933 0.687014 Cs\n0.210920 0.744933 0.812986 Cs\n0.710920 0.755067 0.187014 Cs\n0.789080 0.244933 0.687014 Cs\n0.289080 0.255067 0.312986 Cs\n0.758463 0.002585 0.311792 Fe\n0.258463 0.497415 0.688208 Fe\n0.241537 0.502585 0.188208 Fe\n0.741537 0.997415 0.811792 Fe\n0.241537 0.997415 0.688208 Fe\n0.741537 0.502585 0.311792 Fe\n0.758463 0.497415 0.811792 Fe\n0.258463 0.002585 0.188208 Fe\n0.275316 0.255546 0.062291 Fe\n0.775316 0.244454 0.937709 Fe\n0.724684 0.755546 0.437709 Fe\n0.224684 0.744454 0.562291 Fe\n0.724684 0.744454 0.937709 Fe\n0.224684 0.755546 0.062291 Fe\n0.275316 0.244454 0.562291 Fe\n0.775316 0.255546 0.437709 Fe\n0.798751 0.141601 0.361774 O\n0.298752 0.358399 0.638226 O\n0.201248 0.641601 0.138226 O\n0.701249 0.858399 0.861774 O\n0.201248 0.858399 0.638226 O\n0.701249 0.641601 0.361774 O\n0.798751 0.358399 0.861774 O\n0.298752 0.141601 0.138226 O\n0.688608 0.111145 0.886482 O\n0.188608 0.388855 0.113518 O\n0.311392 0.611145 0.613518 O\n0.811392 0.888855 0.386482 O\n0.311392 0.888855 0.113518 O\n0.811392 0.611145 0.886482 O\n0.688608 0.388855 0.386482 O\n0.188608 0.111145 0.613518 O\n0.555225 0.220486 0.513660 O\n0.055225 0.279514 0.486340 O\n0.444775 0.720486 0.986340 O\n0.944775 0.779514 0.013660 O\n0.444775 0.779514 0.486340 O\n0.944775 0.720486 0.513660 O\n0.555225 0.279514 0.013660 O\n0.055225 0.220486 0.986340 O\n0.463598 0.989158 0.272630 O\n0.963598 0.510842 0.727370 O\n0.536402 0.489158 0.227370 O\n0.036402 0.010842 0.772630 O\n0.536402 0.010842 0.727370 O\n0.036402 0.489158 0.272630 O\n0.463598 0.510842 0.772630 O\n0.963598 0.989158 0.227370 O\n",
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"formula_full": "Cs16 Fe16 O32",
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{
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"structure_string": "In2 Cu2 Ni2\n1.0\n-2.171325 -3.760312 0.000000\n-2.171325 3.760312 0.000000\n0.000000 0.000000 -5.344845\nIn Cu Ni\n2 2 2\ndirect\n0.666672 0.333328 0.750000 In\n0.333328 0.666672 0.250000 In\n0.666671 0.333329 0.250000 Cu\n0.333329 0.666671 0.750000 Cu\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "mp-1216591",
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"structure_string": "Tl1 In2 Ga1 Te4\n1.0\n-3.536060 4.314218 4.317946\n3.536060 -4.314218 4.317946\n3.536060 4.314218 -4.317946\nTl In Ga Te\n1 2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Ga\n0.849604 0.406412 0.906521 Te\n0.150396 0.056917 0.556808 Te\n0.499891 0.943083 0.093479 Te\n0.500109 0.593588 0.443192 Te\n",
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{
"id": "mp-1195170",
"created_at": "2022-09-04T14:48:08.934406Z",
"structure_string": "Ni10 H4 Se12 Cl8 O32\n1.0\n0.000000 -8.575910 0.000000\n-11.078377 4.287955 0.000000\n6.228394 0.000000 -11.431453\nNi H Se Cl O\n10 4 12 8 32\ndirect\n0.078465 0.328269 0.191301 Ni\n0.750196 0.671731 0.308699 Ni\n0.921535 0.671731 0.808699 Ni\n0.249804 0.328269 0.691301 Ni\n0.953128 0.513277 0.123949 Ni\n0.439852 0.486723 0.376051 Ni\n0.046872 0.486723 0.876051 Ni\n0.560148 0.513277 0.623949 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.680384 0.046133 0.924333 H\n0.634251 0.953867 0.575667 H\n0.319616 0.953867 0.075667 H\n0.365749 0.046133 0.424333 H\n0.741341 0.361474 0.289219 Se\n0.379866 0.638526 0.210781 Se\n0.258659 0.638526 0.710781 Se\n0.620134 0.361474 0.789219 Se\n0.600511 0.767729 0.900145 Se\n0.832782 0.232271 0.599855 Se\n0.399489 0.232271 0.099855 Se\n0.167218 0.767729 0.400145 Se\n0.910518 0.197511 0.900267 Se\n0.713007 0.802489 0.599733 Se\n0.089482 0.802489 0.099733 Se\n0.286993 0.197511 0.400267 Se\n0.950386 0.119231 0.197420 Cl\n0.831155 0.880769 0.302580 Cl\n0.049614 0.880769 0.802580 Cl\n0.168845 0.119231 0.697420 Cl\n0.160918 0.477389 0.403157 Cl\n0.683530 0.522611 0.096843 Cl\n0.839082 0.522611 0.596843 Cl\n0.316470 0.477389 0.903157 Cl\n0.864927 0.373150 0.188161 O\n0.491777 0.626850 0.311839 O\n0.135073 0.626850 0.811839 O\n0.508223 0.373150 0.688161 O\n0.743482 0.930300 0.947098 O\n0.813182 0.069700 0.552902 O\n0.256518 0.069700 0.052902 O\n0.186818 0.930300 0.447098 O\n0.026610 0.196881 0.008300 O\n0.829729 0.803119 0.491700 O\n0.973390 0.803119 0.991700 O\n0.170271 0.196881 0.508300 O\n0.678372 0.494160 0.330206 O\n0.184212 0.505840 0.169794 O\n0.321628 0.505840 0.669794 O\n0.815788 0.494160 0.830206 O\n0.317755 0.329931 0.208537 O\n0.987823 0.670069 0.291463 O\n0.682245 0.670069 0.791463 O\n0.012177 0.329931 0.708537 O\n0.543661 0.216740 0.193567 O\n0.326921 0.783260 0.306433 O\n0.456339 0.783260 0.806433 O\n0.673079 0.216740 0.693567 O\n0.071154 0.635826 0.046497 O\n0.435328 0.364174 0.453503 O\n0.928846 0.364174 0.953503 O\n0.564672 0.635826 0.546497 O\n0.695553 0.132097 0.921683 O\n0.563456 0.867903 0.578317 O\n0.304447 0.867903 0.078317 O\n0.436544 0.132097 0.421683 O\n",
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{
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}