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{
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{
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"structure_string": "Cs2 Ga2 O4\n1.0\n0.000000 4.254310 4.254310\n4.254310 0.000000 4.254310\n4.254310 4.254310 0.000000\nCs Ga O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ga\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
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{
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"structure_string": "Li4 Fe4 F12\n1.0\n3.031441 0.000000 0.000000\n0.000000 7.838957 0.000000\n0.000000 0.000000 9.990446\nLi Fe F\n4 4 12\ndirect\n0.750000 0.502698 0.814001 Li\n0.250000 0.997302 0.314001 Li\n0.750000 0.002698 0.685999 Li\n0.250000 0.497302 0.185999 Li\n0.250000 0.690590 0.513502 Fe\n0.750000 0.809410 0.013502 Fe\n0.250000 0.190590 0.986498 Fe\n0.750000 0.309410 0.486498 Fe\n0.250000 0.473632 0.388989 F\n0.250000 0.675419 0.912483 F\n0.750000 0.649544 0.164247 F\n0.250000 0.850456 0.664247 F\n0.750000 0.824581 0.412483 F\n0.750000 0.026368 0.888989 F\n0.250000 0.973632 0.111011 F\n0.250000 0.175419 0.587517 F\n0.750000 0.149544 0.335753 F\n0.250000 0.350456 0.835753 F\n0.750000 0.324581 0.087517 F\n0.750000 0.526368 0.611011 F\n",
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{
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"structure_string": "Cs2 K1 As1 Cl6\n1.0\n0.000000 5.546009 5.546009\n5.546009 0.000000 5.546009\n5.546009 5.546009 0.000000\nCs K As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.773049 0.226951 0.226951 Cl\n0.226951 0.226951 0.773049 Cl\n0.226951 0.773049 0.773049 Cl\n0.226951 0.773049 0.226951 Cl\n0.773049 0.226951 0.773049 Cl\n0.773049 0.773049 0.226951 Cl\n",
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{
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"created_at": "2022-09-04T14:48:12.790465Z",
"structure_string": "Ta4 Ni2 O12\n1.0\n4.777402 0.000000 0.000000\n0.000000 4.777402 0.000000\n0.000000 0.000000 9.177888\nTa Ni O\n4 2 12\ndirect\n0.500000 0.500000 0.168650 Ta\n0.000000 0.000000 0.668650 Ta\n0.500000 0.500000 0.831350 Ta\n0.000000 0.000000 0.331350 Ta\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.189350 0.810650 0.500000 O\n0.810650 0.189350 0.500000 O\n0.310650 0.310650 0.000000 O\n0.689350 0.689350 0.000000 O\n0.202965 0.797035 0.174648 O\n0.797035 0.202965 0.174648 O\n0.297035 0.297035 0.674648 O\n0.702965 0.702965 0.674648 O\n0.797035 0.202965 0.825352 O\n0.202965 0.797035 0.825352 O\n0.702965 0.702965 0.325352 O\n0.297035 0.297035 0.325352 O\n",
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"formula_full": "Ta4 Ni2 O12",
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{
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"structure_string": "Ho2 In8 Co1\n1.0\n4.644532 0.000000 0.000000\n0.000000 4.644532 0.000000\n0.000000 0.000000 11.960912\nHo In Co\n2 8 1\ndirect\n0.000000 0.000000 0.694202 Ho\n0.000000 0.000000 0.305798 Ho\n0.500000 0.000000 0.880163 In\n0.000000 0.500000 0.880163 In\n0.500000 0.000000 0.119837 In\n0.000000 0.500000 0.119837 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.696052 In\n0.500000 0.500000 0.303948 In\n0.000000 0.000000 0.000000 Co\n",
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"density": 8.413732756245453,
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"volume": 258.01693625820616,
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{
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"structure_string": "V8 Hg16 O32\n1.0\n16.875051 0.000000 0.000000\n0.000000 3.738992 0.000000\n0.000000 3.715327 14.714796\nV Hg O\n8 16 32\ndirect\n0.827614 0.130708 0.870894 V\n0.327614 0.869292 0.629106 V\n0.172386 0.869292 0.129106 V\n0.672386 0.130708 0.370894 V\n0.678714 0.620859 0.880911 V\n0.178714 0.379141 0.619089 V\n0.321286 0.379141 0.119089 V\n0.821286 0.620859 0.380911 V\n0.678756 0.876675 0.125528 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.178756 0.123325 0.374472 Hg\n0.321244 0.123325 0.874472 Hg\n0.821244 0.876675 0.625528 Hg\n0.493983 0.750158 0.250299 Hg\n0.993983 0.249842 0.249701 Hg\n0.506017 0.249842 0.749701 Hg\n0.006017 0.750158 0.750299 Hg\n0.831887 0.995528 0.123778 Hg\n0.331887 0.004472 0.376222 Hg\n0.168113 0.004472 0.876222 Hg\n0.668113 0.995528 0.623778 Hg\n0.622749 0.225682 0.272266 O\n0.122749 0.774318 0.227734 O\n0.377251 0.774318 0.727734 O\n0.877251 0.225682 0.772266 O\n0.790245 0.125572 0.376454 O\n0.290245 0.874428 0.123546 O\n0.209755 0.874428 0.623546 O\n0.709755 0.125572 0.876454 O\n0.606502 0.045441 0.458612 O\n0.106502 0.954559 0.041388 O\n0.393498 0.954559 0.541388 O\n0.893498 0.045441 0.958612 O\n0.551454 0.811825 0.125933 O\n0.051454 0.188175 0.374067 O\n0.448546 0.188175 0.874067 O\n0.948546 0.811825 0.625933 O\n0.385767 0.287330 0.207722 O\n0.885767 0.712670 0.292278 O\n0.614233 0.712670 0.792278 O\n0.114233 0.287330 0.707722 O\n0.703281 0.625428 0.376334 O\n0.203281 0.374572 0.123666 O\n0.296719 0.374572 0.623666 O\n0.796719 0.625428 0.876334 O\n0.872248 0.522644 0.478875 O\n0.372248 0.477356 0.021125 O\n0.127752 0.477356 0.521125 O\n0.627752 0.522644 0.978875 O\n0.434835 0.628490 0.375428 O\n0.565165 0.371510 0.624572 O\n0.934835 0.371510 0.124572 O\n0.065165 0.628490 0.875428 O\n",
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{
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"structure_string": "Mg2 Ti3 Co1 S8\n1.0\n6.308712 0.032069 3.696971\n2.135063 5.928502 3.693747\n0.046396 0.028808 7.313603\nMg Ti Co S\n2 3 1 8\ndirect\n0.877410 0.877691 0.877808 Mg\n0.122589 0.122312 0.122188 Mg\n0.500000 0.499999 0.000007 Ti\n0.999999 0.500001 0.500006 Ti\n0.500001 0.999991 0.500001 Ti\n0.500001 0.500007 0.499991 Co\n0.741988 0.742407 0.742267 S\n0.266958 0.267092 0.712210 S\n0.266836 0.712296 0.267205 S\n0.711812 0.267172 0.267408 S\n0.733149 0.287719 0.732789 S\n0.288192 0.732816 0.732595 S\n0.258015 0.257580 0.257743 S\n0.733054 0.732911 0.287783 S\n",
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{
"id": "mp-1220065",
"created_at": "2022-09-04T14:48:12.990939Z",
"structure_string": "Rb3 Cr20 Se32\n1.0\n-10.965164 0.000000 0.000000\n5.309508 10.286743 0.000000\n-1.718781 -3.876500 -10.938403\nRb Cr Se\n3 20 32\ndirect\n0.231790 0.731676 0.731863 Rb\n0.500000 0.000000 0.000000 Rb\n0.768210 0.268324 0.268137 Rb\n0.793745 0.609328 0.129278 Cr\n0.042885 0.858881 0.378633 Cr\n0.292103 0.107320 0.627232 Cr\n0.543152 0.358451 0.878142 Cr\n0.957115 0.141119 0.621367 Cr\n0.206255 0.390672 0.870722 Cr\n0.456848 0.641549 0.121858 Cr\n0.707897 0.892680 0.372768 Cr\n0.374241 0.874535 0.375788 Cr\n0.625759 0.125465 0.624212 Cr\n0.875567 0.375311 0.874256 Cr\n0.124433 0.624689 0.125744 Cr\n0.412548 0.322383 0.486215 Cr\n0.662506 0.571135 0.735649 Cr\n0.911192 0.820666 0.985153 Cr\n0.161744 0.071013 0.235792 Cr\n0.337494 0.428865 0.264351 Cr\n0.587452 0.677617 0.513785 Cr\n0.838256 0.928987 0.764208 Cr\n0.088808 0.179334 0.014847 Cr\n0.343856 0.500463 0.491714 Se\n0.593803 0.750849 0.741815 Se\n0.844264 0.001522 0.992325 Se\n0.094493 0.250585 0.242016 Se\n0.406197 0.249151 0.258185 Se\n0.656144 0.499537 0.508286 Se\n0.905507 0.749415 0.757984 Se\n0.155736 0.998478 0.007675 Se\n0.068374 0.392837 0.723371 Se\n0.318629 0.644289 0.973598 Se\n0.570090 0.895660 0.224867 Se\n0.820478 0.144947 0.475418 Se\n0.681371 0.355711 0.026402 Se\n0.931626 0.607163 0.276629 Se\n0.179522 0.855053 0.524582 Se\n0.429910 0.104340 0.775133 Se\n0.265531 0.616140 0.271818 Se\n0.515495 0.866373 0.521869 Se\n0.765577 0.116251 0.771756 Se\n0.015882 0.366311 0.021578 Se\n0.484505 0.133627 0.478131 Se\n0.734469 0.383860 0.728182 Se\n0.984118 0.633689 0.978422 Se\n0.234423 0.883749 0.228244 Se\n0.595322 0.618134 0.273817 Se\n0.845478 0.867537 0.523795 Se\n0.095587 0.117572 0.773581 Se\n0.345695 0.368289 0.024099 Se\n0.154522 0.132463 0.476205 Se\n0.404678 0.381866 0.726183 Se\n0.654305 0.631711 0.975901 Se\n0.904413 0.882428 0.226419 Se\n",
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{
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"structure_string": "Mn12 Fe8 Ge12 O48\n1.0\n-6.122952 6.122952 6.122952\n6.122952 -6.122952 6.122952\n6.122952 6.122952 -6.122952\nMn Fe Ge O\n12 8 12 48\ndirect\n0.125000 0.375000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.250000 0.375000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.875000 0.625000 0.250000 Mn\n0.625000 0.875000 0.750000 Mn\n0.625000 0.250000 0.875000 Mn\n0.875000 0.750000 0.625000 Mn\n0.250000 0.875000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.375000 0.625000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.625000 0.750000 0.375000 Ge\n0.875000 0.250000 0.125000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.375000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.875000 0.125000 Ge\n0.085102 0.876652 0.400847 O\n0.975805 0.684255 0.099153 O\n0.524195 0.623348 0.708450 O\n0.414898 0.815745 0.791550 O\n0.876652 0.400847 0.085102 O\n0.684255 0.099153 0.975805 O\n0.623348 0.708450 0.524195 O\n0.815745 0.791550 0.414898 O\n0.400847 0.085102 0.876652 O\n0.099153 0.975805 0.684255 O\n0.708450 0.524195 0.623348 O\n0.791550 0.414898 0.815745 O\n0.914898 0.123348 0.599153 O\n0.024195 0.315745 0.900847 O\n0.475805 0.376652 0.291550 O\n0.585102 0.184255 0.208450 O\n0.123348 0.599153 0.914898 O\n0.315745 0.900847 0.024195 O\n0.376652 0.291550 0.475805 O\n0.184255 0.208450 0.585102 O\n0.599153 0.914898 0.123348 O\n0.900847 0.024195 0.315745 O\n0.291550 0.475805 0.376652 O\n0.208450 0.585102 0.184255 O\n0.585102 0.900847 0.376652 O\n0.475805 0.599153 0.184255 O\n0.024195 0.208450 0.123348 O\n0.914898 0.291550 0.315745 O\n0.376652 0.585102 0.900847 O\n0.184255 0.475805 0.599153 O\n0.123348 0.024195 0.208450 O\n0.315745 0.914898 0.291550 O\n0.900847 0.376652 0.585102 O\n0.599153 0.184255 0.475805 O\n0.208450 0.123348 0.024195 O\n0.291550 0.315745 0.914898 O\n0.414898 0.099153 0.623348 O\n0.524195 0.400847 0.815745 O\n0.975805 0.791550 0.876652 O\n0.085102 0.708450 0.684255 O\n0.623348 0.414898 0.099153 O\n0.815745 0.524195 0.400847 O\n0.876652 0.975805 0.791550 O\n0.684255 0.085102 0.708450 O\n0.099153 0.623348 0.414898 O\n0.400847 0.815745 0.524195 O\n0.791550 0.876652 0.975805 O\n0.708450 0.684255 0.085102 O\n",
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{
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}