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{
"id": "mp-568203",
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"structure_string": "K8 Th4 P12 Se36\n1.0\n7.977739 0.000000 0.000000\n0.000000 10.536452 0.000000\n0.000000 9.102792 20.845782\nK Th P Se\n8 4 12 36\ndirect\n0.087506 0.758348 0.500027 K\n0.601198 0.559396 0.677116 K\n0.912494 0.241652 0.499973 K\n0.412494 0.758348 0.000027 K\n0.398802 0.440604 0.322884 K\n0.587506 0.241652 0.999973 K\n0.898802 0.559396 0.177116 K\n0.101198 0.440604 0.822884 K\n0.093085 0.104273 0.145560 Th\n0.906915 0.895727 0.854440 Th\n0.593085 0.895727 0.354440 Th\n0.406915 0.104273 0.645560 Th\n0.623190 0.620471 0.841561 P\n0.376810 0.379529 0.158439 P\n0.388122 0.069989 0.486182 P\n0.888122 0.930011 0.013818 P\n0.586944 0.220235 0.193308 P\n0.413056 0.779765 0.806692 P\n0.123190 0.379529 0.658439 P\n0.086944 0.779765 0.306692 P\n0.611878 0.930011 0.513818 P\n0.876810 0.620471 0.341561 P\n0.913056 0.220235 0.693308 P\n0.111878 0.069989 0.986182 P\n0.323503 0.794021 0.712437 Se\n0.455498 0.019512 0.208704 Se\n0.213580 0.363129 0.568327 Se\n0.172254 0.278047 0.226103 Se\n0.469337 0.573151 0.157269 Se\n0.281920 0.706463 0.382646 Se\n0.804587 0.924488 0.106503 Se\n0.695413 0.924488 0.606503 Se\n0.823503 0.205979 0.787563 Se\n0.195413 0.075512 0.893497 Se\n0.672254 0.721953 0.273897 Se\n0.969337 0.426849 0.342731 Se\n0.793461 0.019552 0.433812 Se\n0.977356 0.737923 0.006274 Se\n0.522644 0.737923 0.506274 Se\n0.206539 0.980448 0.566188 Se\n0.176497 0.794021 0.212437 Se\n0.030663 0.573151 0.657269 Se\n0.286420 0.363129 0.068327 Se\n0.044502 0.019512 0.708704 Se\n0.022644 0.262077 0.993726 Se\n0.706539 0.019552 0.933812 Se\n0.304587 0.075512 0.393497 Se\n0.713580 0.636871 0.931673 Se\n0.327746 0.278047 0.726103 Se\n0.955498 0.980488 0.291296 Se\n0.827746 0.721953 0.773897 Se\n0.786420 0.636871 0.431673 Se\n0.544502 0.980488 0.791296 Se\n0.530663 0.426849 0.842731 Se\n0.676497 0.205979 0.287563 Se\n0.218080 0.706463 0.882646 Se\n0.293461 0.980448 0.066188 Se\n0.718080 0.293537 0.617354 Se\n0.477356 0.262077 0.493726 Se\n0.781920 0.293537 0.117354 Se\n",
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"spacegroup": 14
},
{
"id": "mp-1200225",
"created_at": "2022-09-04T14:47:04.371403Z",
"structure_string": "Nd4 Se6 O24\n1.0\n3.641332 6.273274 0.000000\n-3.641332 6.273274 0.000000\n0.000000 3.680112 12.978595\nNd Se O\n4 6 24\ndirect\n0.708140 0.701134 0.824967 Nd\n0.298866 0.291860 0.675033 Nd\n0.291860 0.298866 0.175033 Nd\n0.701134 0.708140 0.324967 Nd\n0.772463 0.823446 0.562436 Se\n0.176554 0.227537 0.937564 Se\n0.227537 0.176554 0.437564 Se\n0.823446 0.772463 0.062436 Se\n0.827266 0.172734 0.750000 Se\n0.172734 0.827266 0.250000 Se\n0.559824 0.910985 0.662314 O\n0.089015 0.440176 0.837686 O\n0.440176 0.089015 0.337686 O\n0.910985 0.559824 0.162314 O\n0.947328 0.615714 0.647238 O\n0.384286 0.052672 0.852762 O\n0.052672 0.384286 0.352762 O\n0.615714 0.947328 0.147238 O\n0.696650 0.695923 0.502927 O\n0.304077 0.303350 0.997073 O\n0.303350 0.304077 0.497073 O\n0.695923 0.696650 0.002927 O\n0.860645 0.934661 0.815144 O\n0.065339 0.139355 0.684856 O\n0.139355 0.065339 0.184856 O\n0.934661 0.860645 0.315144 O\n0.736634 0.349988 0.832053 O\n0.650012 0.263366 0.667947 O\n0.263366 0.650012 0.167947 O\n0.349988 0.736634 0.332053 O\n0.332010 0.762988 0.897824 O\n0.237012 0.667990 0.602176 O\n0.667990 0.237012 0.102176 O\n0.762988 0.332010 0.397824 O\n",
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},
{
"id": "mp-720809",
"created_at": "2022-09-04T14:47:04.379012Z",
"structure_string": "Co2 Mo16 H72 C16 N4 O64\n1.0\n6.933400 8.142921 0.000000\n-6.933400 8.142921 0.000000\n0.000000 2.010968 16.903844\nCo Mo H C N O\n2 16 72 16 4 64\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.588205 0.910531 0.922207 Mo\n0.089469 0.411795 0.577793 Mo\n0.411795 0.089469 0.077793 Mo\n0.910531 0.588205 0.422207 Mo\n0.460005 0.746558 0.069864 Mo\n0.253442 0.539995 0.430136 Mo\n0.539995 0.253442 0.930136 Mo\n0.746558 0.460005 0.569864 Mo\n0.753955 0.034889 0.036805 Mo\n0.965111 0.246045 0.463195 Mo\n0.246045 0.965111 0.963195 Mo\n0.034889 0.753955 0.536805 Mo\n0.623474 0.874593 0.189713 Mo\n0.125407 0.376526 0.310287 Mo\n0.376526 0.125407 0.810287 Mo\n0.874593 0.623474 0.689713 Mo\n0.884926 0.642129 0.127661 H\n0.357871 0.115074 0.372339 H\n0.115074 0.357871 0.872339 H\n0.642129 0.884926 0.627661 H\n0.003175 0.540352 0.152091 H\n0.459648 0.996825 0.347909 H\n0.996825 0.459648 0.847909 H\n0.540352 0.003175 0.652091 H\n0.108701 0.298392 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{
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{
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"structure_string": "Ba1 Fe1 Cu1 Pb2 Cl1 O5\n1.0\n3.972834 0.000000 0.000000\n0.000000 3.972834 0.000000\n0.000000 0.000000 11.593928\nBa Fe Cu Pb Cl O\n1 1 1 2 1 5\ndirect\n0.500000 0.500000 0.514048 Ba\n0.000000 0.000000 0.325408 Fe\n0.000000 0.000000 0.689344 Cu\n0.500000 0.500000 0.832315 Pb\n0.500000 0.500000 0.161084 Pb\n0.000000 0.000000 0.006708 Cl\n0.000000 0.500000 0.706491 O\n0.500000 0.000000 0.706491 O\n0.000000 0.500000 0.285556 O\n0.500000 0.000000 0.285556 O\n0.000000 0.000000 0.486999 O\n",
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{
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