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{
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{
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{
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"structure_string": "Na8 Cr4 Si4 C4 O28\n1.0\n0.144246 -0.000139 5.257320\n18.132813 0.000251 0.037822\n0.000090 6.449349 -0.000173\nNa Cr Si C O\n8 4 4 4 28\ndirect\n0.244863 0.117095 0.010215 Na\n0.244662 0.617135 0.010235 Na\n0.244852 0.117096 0.489810 Na\n0.244629 0.617132 0.489813 Na\n0.755240 0.382899 0.510200 Na\n0.755122 0.882838 0.510173 Na\n0.755249 0.382878 0.989778 Na\n0.755087 0.882834 0.989795 Na\n0.801747 0.674777 0.750149 Cr\n0.198596 0.825207 0.249932 Cr\n0.801556 0.174768 0.750029 Cr\n0.198668 0.325224 0.249835 Cr\n0.704230 0.214378 0.249999 Si\n0.704142 0.714418 0.250051 Si\n0.295857 0.285631 0.749906 Si\n0.295772 0.785637 0.749994 Si\n0.727828 0.040562 0.749998 C\n0.727689 0.540624 0.750016 C\n0.272239 0.459419 0.249989 C\n0.272219 0.959383 0.250008 C\n0.309624 0.027116 0.250025 O\n0.309701 0.527161 0.250032 O\n0.690576 0.472877 0.750039 O\n0.690383 0.972822 0.749993 O\n0.953936 0.069884 0.750007 O\n0.953883 0.569963 0.750019 O\n0.046165 0.430059 0.249941 O\n0.046041 0.930082 0.250002 O\n0.542190 0.091637 0.750005 O\n0.542007 0.591663 0.749995 O\n0.457858 0.408334 0.249961 O\n0.457886 0.908305 0.250002 O\n0.137045 0.208495 0.750035 O\n0.136900 0.708478 0.750000 O\n0.863029 0.291508 0.249961 O\n0.862935 0.791572 0.249983 O\n0.394929 0.230412 0.249973 O\n0.394670 0.730344 0.249973 O\n0.605177 0.269564 0.750046 O\n0.605153 0.769710 0.750014 O\n0.785268 0.165842 0.043421 O\n0.785268 0.665892 0.043503 O\n0.785260 0.165842 0.456605 O\n0.785275 0.665910 0.456642 O\n0.214804 0.334155 0.543373 O\n0.214488 0.834126 0.543359 O\n0.214830 0.334161 0.956555 O\n0.214471 0.834150 0.956612 O\n",
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{
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"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n6.589762 0.000000 0.000000\n0.000000 8.877973 0.000000\n0.000000 0.235550 10.358941\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.528822 0.744142 0.627691 Na\n0.988165 0.747037 0.126084 Na\n0.509333 0.749068 0.129290 Na\n0.028822 0.255858 0.372309 Na\n0.488165 0.252963 0.873916 Na\n0.009333 0.250932 0.870710 Na\n0.246969 0.651711 0.362349 Ni\n0.243588 0.656364 0.856759 Ni\n0.746969 0.348289 0.637651 Ni\n0.743588 0.343636 0.143241 Ni\n0.747022 0.575306 0.387993 P\n0.747888 0.577181 0.894548 P\n0.247022 0.424694 0.612007 P\n0.247888 0.422819 0.105452 P\n0.252386 0.927850 0.393304 C\n0.252103 0.929871 0.893070 C\n0.752386 0.072150 0.606696 C\n0.752103 0.070129 0.106930 C\n0.750858 0.933495 0.588752 O\n0.750313 0.930949 0.088918 O\n0.246747 0.869194 0.279182 O\n0.255326 0.870367 0.780393 O\n0.259078 0.828727 0.487366 O\n0.249716 0.829099 0.987529 O\n0.935305 0.669807 0.347682 O\n0.559605 0.669253 0.347402 O\n0.935819 0.675475 0.866126 O\n0.561190 0.673605 0.855171 O\n0.257478 0.577162 0.682102 O\n0.249628 0.572978 0.178346 O\n0.741072 0.539719 0.535113 O\n0.741433 0.540774 0.044080 O\n0.241072 0.460281 0.464887 O\n0.241433 0.459226 0.955920 O\n0.757478 0.422838 0.317898 O\n0.749628 0.427022 0.821654 O\n0.435305 0.330193 0.652318 O\n0.059605 0.330747 0.652598 O\n0.435819 0.324525 0.133874 O\n0.061190 0.326395 0.144829 O\n0.759078 0.171273 0.512634 O\n0.749716 0.170901 0.012471 O\n0.746747 0.130806 0.720818 O\n0.755326 0.129633 0.219607 O\n0.250858 0.066505 0.411248 O\n0.250313 0.069051 0.911082 O\n",
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{
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"volume_molar": 7.0546243270169455,
"formula_full": "Na6 Li2 Cu2 P2 C2 O14",
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},
{
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"structure_string": "Ce2 Se4\n1.0\n13.265172 -2.095183 0.000000\n13.265172 2.095183 0.000000\n12.934246 0.000000 3.613844\nCe Se\n2 4\ndirect\n0.916652 0.916652 0.916652 Ce\n0.083329 0.083329 0.083329 Ce\n0.788300 0.788300 0.788300 Se\n0.625399 0.625399 0.625399 Se\n0.541316 0.541316 0.541316 Se\n0.378403 0.378403 0.378403 Se\n",
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"formula_full": "Ce2 Se4",
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},
{
"id": "mp-1215348",
"created_at": "2022-09-04T14:46:58.012814Z",
"structure_string": "Zr5 Si3\n1.0\n3.723335 0.000000 0.000000\n0.000000 6.461146 0.000000\n0.000000 0.300303 7.150323\nZr Si\n5 3\ndirect\n0.500000 0.292009 0.837680 Zr\n0.500000 0.689667 0.139045 Zr\n0.500000 0.836557 0.708973 Zr\n0.500000 0.147542 0.332394 Zr\n0.000000 0.543743 0.484358 Zr\n0.000000 0.131365 0.605799 Si\n0.000000 0.369161 0.133500 Si\n0.000000 0.599956 0.868253 Si\n",
"nsites": 8,
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"elements": [
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"volume": 172.01539936422304,
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"formula_full": "Zr5 Si3",
"formula_reduced": "Zr5Si3",
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"energy": -62.16846163,
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]
}