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{
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{
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"structure_string": "Sn4 N16 O48\n1.0\n14.300385 0.000000 0.000000\n0.000000 8.070140 0.000000\n0.000000 6.015236 8.845432\nSn N O\n4 16 48\ndirect\n0.671237 0.181047 0.534281 Sn\n0.171237 0.818953 0.965719 Sn\n0.328763 0.818953 0.465719 Sn\n0.828763 0.181047 0.034281 Sn\n0.934369 0.491386 0.841034 N\n0.757861 0.865049 0.052275 N\n0.257861 0.134951 0.447725 N\n0.242139 0.134951 0.947725 N\n0.742139 0.865049 0.552275 N\n0.434369 0.508614 0.658966 N\n0.065631 0.508614 0.158966 N\n0.565631 0.491386 0.341034 N\n0.675339 0.398022 0.968787 N\n0.175339 0.601978 0.531213 N\n0.324661 0.601978 0.031213 N\n0.824661 0.398022 0.468787 N\n0.946885 0.993596 0.264802 N\n0.446885 0.006404 0.235198 N\n0.053115 0.006404 0.735198 N\n0.553115 0.993596 0.764802 N\n0.130375 0.924381 0.730021 O\n0.722516 0.721995 0.062762 O\n0.222516 0.278005 0.437238 O\n0.277484 0.278005 0.937238 O\n0.916705 0.346563 0.824913 O\n0.416705 0.653437 0.675087 O\n0.083295 0.653437 0.175087 O\n0.583295 0.346563 0.324913 O\n0.896500 0.463483 0.964919 O\n0.396500 0.536517 0.535081 O\n0.103500 0.536517 0.035081 O\n0.603500 0.463483 0.464919 O\n0.980193 0.637646 0.753812 O\n0.480193 0.362354 0.746188 O\n0.019807 0.362354 0.246188 O\n0.519807 0.637646 0.253812 O\n0.716201 0.357965 0.877078 O\n0.216201 0.642035 0.622922 O\n0.283799 0.642035 0.122922 O\n0.783799 0.357965 0.377078 O\n0.715309 0.308254 0.100655 O\n0.215309 0.691746 0.399345 O\n0.284691 0.691746 0.899345 O\n0.784691 0.308254 0.600655 O\n0.608754 0.507888 0.930725 O\n0.108754 0.492112 0.569275 O\n0.391246 0.492112 0.069275 O\n0.891246 0.507888 0.430725 O\n0.869625 0.075619 0.269979 O\n0.369625 0.924381 0.230021 O\n0.777484 0.721995 0.562762 O\n0.630375 0.075619 0.769979 O\n0.958312 0.013991 0.133807 O\n0.458312 0.986009 0.366193 O\n0.041688 0.986009 0.866193 O\n0.684894 0.988692 0.445114 O\n0.002308 0.908554 0.366789 O\n0.502308 0.091446 0.133211 O\n0.997692 0.091446 0.633211 O\n0.497692 0.908554 0.866789 O\n0.741431 0.911652 0.150919 O\n0.241431 0.088348 0.349081 O\n0.258569 0.088348 0.849081 O\n0.758569 0.911652 0.650919 O\n0.815106 0.988692 0.945114 O\n0.315106 0.011308 0.554886 O\n0.184894 0.011308 0.054886 O\n0.541688 0.013991 0.633807 O\n",
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"elements": [
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"volume": 1020.8168895785853,
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"formula_full": "Sn4 N16 O48",
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},
{
"id": "mp-1186040",
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"structure_string": "Na8\n1.0\n6.741988 0.000000 0.000000\n0.000000 6.741988 0.000000\n0.000000 0.000000 6.741988\nNa\n8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.250000 0.000000 Na\n0.500000 0.750000 0.000000 Na\n0.000000 0.500000 0.250000 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.750000 Na\n",
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{
"id": "mp-850540",
"created_at": "2022-09-04T14:40:40.853261Z",
"structure_string": "Zn4 Fe8 P12 O48\n1.0\n5.956416 0.000000 0.000000\n0.000000 4.893716 0.000000\n0.000000 0.007423 29.862200\nZn Fe P O\n4 8 12 48\ndirect\n0.000000 0.457267 0.924910 Zn\n0.500000 0.957163 0.908508 Zn\n0.000000 0.452319 0.591756 Zn\n0.000000 0.452584 0.258613 Zn\n0.000000 0.036718 0.757876 Fe\n0.500000 0.535688 0.741788 Fe\n0.500000 0.965875 0.575262 Fe\n0.000000 0.032779 0.425118 Fe\n0.500000 0.534145 0.409081 Fe\n0.500000 0.966205 0.242042 Fe\n0.000000 0.034642 0.091938 Fe\n0.500000 0.536335 0.075828 Fe\n0.500000 0.416428 0.968852 P\n0.000000 0.916396 0.864520 P\n0.500000 0.083190 0.800784 P\n0.000000 0.582640 0.698978 P\n0.500000 0.412188 0.634122 P\n0.000000 0.925526 0.532086 P\n0.500000 0.082330 0.468090 P\n0.000000 0.582106 0.365907 P\n0.500000 0.411433 0.300925 P\n0.000000 0.925334 0.198937 P\n0.500000 0.081875 0.134744 P\n0.000000 0.582774 0.032948 P\n0.000000 0.660182 0.983201 O\n0.500000 0.728416 0.963676 O\n0.297738 0.272486 0.945089 O\n0.702262 0.272486 0.945089 O\n0.797578 0.772095 0.888205 O\n0.202422 0.772095 0.888205 O\n0.000000 0.229285 0.869555 O\n0.500000 0.162288 0.850381 O\n0.000000 0.846849 0.814230 O\n0.500000 0.774292 0.793792 O\n0.299521 0.225985 0.775010 O\n0.700479 0.225985 0.775010 O\n0.798797 0.726266 0.724401 O\n0.201203 0.726266 0.724401 O\n0.000000 0.273498 0.706341 O\n0.500000 0.352889 0.684556 O\n0.000000 0.653587 0.649287 O\n0.500000 0.719829 0.626270 O\n0.301372 0.259802 0.609751 O\n0.698628 0.259802 0.609751 O\n0.204739 0.787163 0.556276 O\n0.795261 0.787163 0.556276 O\n0.000000 0.236903 0.535783 O\n0.500000 0.156852 0.517734 O\n0.000000 0.847143 0.481989 O\n0.500000 0.772820 0.461106 O\n0.298784 0.226372 0.442812 O\n0.701216 0.226372 0.442812 O\n0.798712 0.726229 0.391424 O\n0.201288 0.726229 0.391424 O\n0.000000 0.273140 0.373701 O\n0.500000 0.352673 0.351415 O\n0.000000 0.653251 0.316254 O\n0.500000 0.719467 0.293082 O\n0.301599 0.259828 0.276573 O\n0.698401 0.259828 0.276573 O\n0.204300 0.787370 0.222960 O\n0.795700 0.787370 0.222960 O\n0.000000 0.236715 0.202523 O\n0.500000 0.155082 0.184319 O\n0.000000 0.847279 0.148763 O\n0.500000 0.772534 0.127706 O\n0.298581 0.225709 0.109568 O\n0.701419 0.225709 0.109568 O\n0.799199 0.725607 0.058566 O\n0.200801 0.725607 0.058566 O\n0.000000 0.274095 0.040261 O\n0.500000 0.347167 0.019193 O\n",
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{
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"created_at": "2022-09-04T14:40:40.860423Z",
"structure_string": "Mg4 Co4 O10\n1.0\n-2.602654 2.604987 6.796533\n2.602654 -2.604987 6.796533\n2.602654 2.604987 -6.796533\nMg Co O\n4 4 10\ndirect\n0.410816 0.885646 0.523150 Mg\n0.637504 0.114354 0.525170 Mg\n0.910816 0.387666 0.525170 Mg\n0.137504 0.612334 0.523150 Mg\n0.979764 0.000000 0.979764 Co\n0.479764 0.500000 0.979764 Co\n0.791019 0.781601 0.072621 Co\n0.291019 0.218399 0.009418 Co\n0.782315 0.777973 0.475223 O\n0.697249 0.222027 0.004342 O\n0.282315 0.807093 0.004342 O\n0.197249 0.192907 0.475223 O\n0.802750 0.744559 0.816977 O\n0.072419 0.255441 0.058192 O\n0.302750 0.485773 0.058192 O\n0.572419 0.514227 0.816977 O\n0.162163 0.865139 0.527302 O\n0.662163 0.134861 0.297025 O\n",
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{
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"structure_string": "Ti16 Hg4 C5\n1.0\n3.767484 0.000000 0.000000\n0.000000 3.767484 0.000000\n0.000000 0.000000 33.408647\nTi Hg C\n16 4 5\ndirect\n0.500000 0.500000 0.027209 Ti\n0.500000 0.500000 0.172791 Ti\n0.500000 0.500000 0.344736 Ti\n0.500000 0.500000 0.600000 Ti\n0.500000 0.500000 0.855264 Ti\n0.500000 0.000000 0.100000 Ti\n0.500000 0.000000 0.401706 Ti\n0.500000 0.000000 0.547068 Ti\n0.500000 0.000000 0.652932 Ti\n0.500000 0.000000 0.798294 Ti\n0.000000 0.500000 0.100000 Ti\n0.000000 0.500000 0.401706 Ti\n0.000000 0.500000 0.547068 Ti\n0.000000 0.500000 0.652932 Ti\n0.000000 0.500000 0.798294 Ti\n0.500000 0.500000 0.100000 Ti\n0.500000 0.500000 0.258215 Hg\n0.500000 0.500000 0.474593 Hg\n0.500000 0.500000 0.725407 Hg\n0.500000 0.500000 0.941785 Hg\n0.000000 0.000000 0.050754 C\n0.000000 0.000000 0.149246 C\n0.000000 0.000000 0.368396 C\n0.000000 0.000000 0.600000 C\n0.000000 0.000000 0.831604 C\n",
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{
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"structure_string": "Ca4 Mn1 Fe3 Si10 O30\n1.0\n-0.029209 -0.099201 6.703961\n7.501355 0.170271 -0.442022\n-3.077004 11.442085 -0.454627\nCa Mn Fe Si O\n4 1 3 10 30\ndirect\n0.842279 0.214160 0.049967 Ca\n0.159488 0.790244 0.953841 Ca\n0.703778 0.770219 0.480651 Ca\n0.298769 0.231326 0.517394 Ca\n0.932945 0.405224 0.352184 Mn\n0.812226 0.955054 0.768662 Fe\n0.182313 0.045409 0.231187 Fe\n0.066388 0.594680 0.649240 Fe\n0.790901 0.194484 0.556276 Si\n0.209598 0.808576 0.446372 Si\n0.577036 0.536034 0.686493 Si\n0.420791 0.465318 0.312972 Si\n0.657265 0.715147 0.944720 Si\n0.344413 0.284514 0.053912 Si\n0.883170 0.674696 0.163790 Si\n0.115835 0.324285 0.836015 Si\n0.684727 0.014177 0.285220 Si\n0.316106 0.982989 0.711766 Si\n0.639840 0.451757 0.378017 O\n0.356081 0.548472 0.623224 O\n0.871589 0.131720 0.245351 O\n0.126990 0.855875 0.744215 O\n0.973582 0.336118 0.533325 O\n0.032338 0.674890 0.480924 O\n0.763589 0.668187 0.654647 O\n0.234700 0.332099 0.345098 O\n0.618522 0.318448 0.622668 O\n0.377346 0.682135 0.376821 O\n0.847933 0.032689 0.617673 O\n0.145921 0.968302 0.384350 O\n0.771459 0.600970 0.031786 O\n0.229739 0.399716 0.967047 O\n0.936910 0.491965 0.205625 O\n0.065771 0.506582 0.790761 O\n0.528383 0.949391 0.764920 O\n0.467010 0.046505 0.237883 O\n0.580345 0.557330 0.825184 O\n0.420833 0.441086 0.173930 O\n0.474800 0.811341 0.006714 O\n0.527769 0.188494 0.992696 O\n0.741095 0.796170 0.261657 O\n0.255425 0.198948 0.738832 O\n0.829308 0.862101 0.914208 O\n0.172888 0.135934 0.082945 O\n0.922503 0.195406 0.855437 O\n0.076513 0.804541 0.144799 O\n0.676592 0.073132 0.431339 O\n0.336196 0.933158 0.567262 O\n",
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{
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}