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{
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{
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"structure_string": "Li1 Mg14 Cr1 O16\n1.0\n8.495462 0.000000 0.000000\n0.000000 8.537144 0.000000\n0.000000 0.000000 4.229365\nLi Mg Cr O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.239526 0.500000 Mg\n0.000000 0.760474 0.500000 Mg\n0.500000 0.247415 0.500000 Mg\n0.500000 0.752585 0.500000 Mg\n0.244269 0.000000 0.500000 Mg\n0.251732 0.500000 0.500000 Mg\n0.755731 0.000000 0.500000 Mg\n0.748268 0.500000 0.500000 Mg\n0.248469 0.243023 0.000000 Mg\n0.248469 0.756977 0.000000 Mg\n0.751531 0.243023 0.000000 Mg\n0.751531 0.756977 0.000000 Mg\n0.000000 0.500000 0.000000 Cr\n0.255694 0.000000 0.000000 O\n0.241858 0.500000 0.000000 O\n0.744306 0.000000 0.000000 O\n0.758142 0.500000 0.000000 O\n0.249153 0.251961 0.500000 O\n0.249153 0.748039 0.500000 O\n0.750847 0.251961 0.500000 O\n0.750847 0.748039 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.265334 0.000000 O\n0.000000 0.734666 0.000000 O\n0.500000 0.254671 0.000000 O\n0.500000 0.745329 0.000000 O\n",
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"elements": [
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},
{
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"structure_string": "Sm1 Ga7 Co5\n1.0\n-2.477593 4.273546 4.465693\n2.477593 -4.273546 4.465693\n2.477593 4.273546 -4.465693\nSm Ga Co\n1 7 5\ndirect\n0.002364 0.002364 0.000000 Sm\n0.489927 0.505890 0.485700 Ga\n0.489927 0.004227 0.984037 Ga\n0.020190 0.505890 0.015963 Ga\n0.020190 0.004227 0.514300 Ga\n0.738517 0.238517 0.500000 Ga\n0.769460 0.507113 0.262347 Ga\n0.244766 0.507113 0.737653 Ga\n0.648431 0.648431 0.000000 Co\n0.364297 0.364297 0.000000 Co\n0.351143 0.996122 0.355021 Co\n0.641101 0.996122 0.644979 Co\n0.219687 0.719687 0.500000 Co\n",
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],
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"volume": 189.1329529487541,
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"formula_full": "Sm1 Ga7 Co5",
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"spacegroup": 44
},
{
"id": "mp-1025911",
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"structure_string": "Mo2 W1 S6\n1.0\n1.593906 -2.760726 0.000000\n1.593906 2.760726 0.000000\n0.000000 0.000000 29.108745\nMo W S\n2 1 6\ndirect\n0.333333 0.666667 0.768671 Mo\n0.333333 0.666667 0.231329 Mo\n0.666667 0.333333 0.000000 W\n0.333333 0.666667 0.054059 S\n0.666667 0.333333 0.714809 S\n0.666667 0.333333 0.177488 S\n0.666667 0.333333 0.822512 S\n0.666667 0.333333 0.285191 S\n0.333333 0.666667 0.945941 S\n",
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{
"id": "mp-18348",
"created_at": "2022-09-04T14:39:31.777070Z",
"structure_string": "K4 Ga4 P8 O28\n1.0\n9.985094 0.000000 0.000000\n0.000000 7.445138 0.000000\n0.000000 2.412591 7.938094\nK Ga P O\n4 4 8 28\ndirect\n0.320989 0.177023 0.943575 K\n0.820989 0.822977 0.556425 K\n0.679011 0.822977 0.056425 K\n0.179011 0.177023 0.443575 K\n0.600782 0.238021 0.240636 Ga\n0.100782 0.761979 0.259364 Ga\n0.399218 0.761979 0.759364 Ga\n0.899218 0.238021 0.740636 Ga\n0.596917 0.129407 0.669480 P\n0.096917 0.870593 0.830520 P\n0.403083 0.870593 0.330520 P\n0.903083 0.129407 0.169480 P\n0.865935 0.438364 0.309503 P\n0.365935 0.561636 0.190497 P\n0.134065 0.561636 0.690497 P\n0.634065 0.438364 0.809503 P\n0.555781 0.333726 0.688911 O\n0.055781 0.666274 0.811089 O\n0.444219 0.666274 0.311089 O\n0.944219 0.333726 0.188911 O\n0.763107 0.079837 0.247505 O\n0.263107 0.920163 0.252495 O\n0.236893 0.920163 0.752495 O\n0.736893 0.079837 0.747505 O\n0.004616 0.991560 0.277927 O\n0.504616 0.008440 0.222073 O\n0.995384 0.008440 0.722073 O\n0.495384 0.991560 0.777927 O\n0.907831 0.143554 0.985259 O\n0.407831 0.856446 0.514741 O\n0.092169 0.856446 0.014741 O\n0.592169 0.143554 0.485259 O\n0.604122 0.320176 0.988647 O\n0.104122 0.679824 0.511353 O\n0.395878 0.679824 0.011353 O\n0.895878 0.320176 0.488647 O\n0.576089 0.637383 0.763235 O\n0.076089 0.362617 0.736765 O\n0.423911 0.362617 0.236765 O\n0.923911 0.637383 0.263235 O\n0.782677 0.451978 0.756726 O\n0.282677 0.548022 0.743274 O\n0.217323 0.548022 0.243274 O\n0.717323 0.451978 0.256726 O\n",
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"formula_full": "K4 Ga4 P8 O28",
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},
{
"id": "mp-1203501",
"created_at": "2022-09-04T14:39:31.821862Z",
"structure_string": "Yb8 H8 S8 O40\n1.0\n8.071546 0.000000 0.000000\n0.000000 11.257109 0.000000\n-7.587534 0.000000 8.275161\nYb H S O\n8 8 8 40\ndirect\n0.214427 0.061466 0.371120 Yb\n0.214427 0.438534 0.871120 Yb\n0.785573 0.938534 0.628880 Yb\n0.785573 0.561466 0.128880 Yb\n0.730015 0.072669 0.913539 Yb\n0.730015 0.427331 0.413539 Yb\n0.269985 0.927331 0.086461 Yb\n0.269985 0.572669 0.586461 Yb\n0.972890 0.876882 0.131872 H\n0.972890 0.623118 0.631872 H\n0.027110 0.123118 0.868128 H\n0.027110 0.376882 0.368128 H\n0.541382 0.091008 0.353188 H\n0.541382 0.408992 0.853188 H\n0.458618 0.908992 0.646812 H\n0.458618 0.591008 0.146812 H\n0.590421 0.306761 0.632956 S\n0.590421 0.193239 0.132956 S\n0.409579 0.693239 0.367044 S\n0.409579 0.806761 0.867044 S\n0.133853 0.171936 0.634095 S\n0.133853 0.328064 0.134095 S\n0.866147 0.828064 0.365905 S\n0.866147 0.671936 0.865905 S\n0.958629 0.093928 0.601847 O\n0.958629 0.406072 0.101847 O\n0.041371 0.906072 0.398153 O\n0.041371 0.593928 0.898153 O\n0.353983 0.126060 0.780888 O\n0.353983 0.373940 0.280888 O\n0.646017 0.873940 0.219112 O\n0.646017 0.626060 0.719112 O\n0.122810 0.168832 0.497484 O\n0.122810 0.331168 0.997484 O\n0.877190 0.831168 0.502516 O\n0.877190 0.668832 0.002516 O\n0.096512 0.296305 0.658890 O\n0.096512 0.203695 0.158890 O\n0.903488 0.703695 0.341110 O\n0.903488 0.796305 0.841110 O\n0.411580 0.395421 0.574032 O\n0.411580 0.104579 0.074032 O\n0.588420 0.604579 0.425968 O\n0.588420 0.895421 0.925968 O\n0.764517 0.370919 0.647003 O\n0.764517 0.129081 0.147003 O\n0.235483 0.629081 0.352997 O\n0.235483 0.870919 0.852997 O\n0.500518 0.207663 0.517934 O\n0.500518 0.292337 0.017934 O\n0.499482 0.792337 0.482066 O\n0.499482 0.707663 0.982066 O\n0.679774 0.262046 0.791188 O\n0.679774 0.237954 0.291188 O\n0.320226 0.737954 0.208812 O\n0.320226 0.762046 0.708812 O\n0.030918 0.953616 0.132536 O\n0.030918 0.546384 0.632536 O\n0.969082 0.046384 0.867464 O\n0.969082 0.453616 0.367464 O\n0.483871 0.014455 0.354133 O\n0.483871 0.485545 0.854133 O\n0.516129 0.985545 0.645867 O\n0.516129 0.514455 0.145867 O\n",
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{
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"structure_string": "Mg8 Sn16 O32\n1.0\n3.186324 5.491450 0.000000\n-3.186324 5.491450 0.000000\n0.000000 3.798098 23.279010\nMg Sn O\n8 16 32\ndirect\n0.645755 0.645755 0.044183 Mg\n0.125810 0.125810 0.124969 Mg\n0.891411 0.891411 0.294249 Mg\n0.371834 0.371834 0.379293 Mg\n0.625105 0.625105 0.625920 Mg\n0.498421 0.498421 0.501892 Mg\n0.882154 0.882154 0.869770 Mg\n0.751976 0.751976 0.749130 Mg\n0.625055 0.125145 0.124756 Sn\n0.247516 0.247516 0.256962 Sn\n0.125145 0.625055 0.124756 Sn\n0.149563 0.149563 0.531395 Sn\n0.864879 0.372520 0.377169 Sn\n0.602880 0.602880 0.215760 Sn\n0.404081 0.404081 0.782303 Sn\n0.372520 0.864879 0.377169 Sn\n0.124799 0.624671 0.625770 Sn\n0.846069 0.846069 0.471687 Sn\n0.624671 0.124799 0.625770 Sn\n0.878153 0.386721 0.872602 Sn\n0.386721 0.878153 0.872602 Sn\n0.099588 0.099588 0.720299 Sn\n0.002697 0.002697 0.003351 Sn\n0.360006 0.360006 0.962277 Sn\n0.286136 0.812902 0.071461 O\n0.935432 0.935432 0.174009 O\n0.812902 0.286136 0.071461 O\n0.818043 0.818043 0.070491 O\n0.438316 0.438316 0.173353 O\n0.540473 0.049984 0.322936 O\n0.444246 0.950185 0.170426 O\n0.189505 0.189505 0.415052 O\n0.049984 0.540473 0.322936 O\n0.308190 0.308190 0.083683 O\n0.054105 0.054105 0.325365 O\n0.950185 0.444246 0.170426 O\n0.772880 0.317877 0.569243 O\n0.670527 0.670527 0.430863 O\n0.676095 0.225983 0.434705 O\n0.443701 0.443701 0.667689 O\n0.317877 0.772880 0.569243 O\n0.548898 0.548898 0.335252 O\n0.323909 0.323909 0.572051 O\n0.225983 0.676095 0.434705 O\n0.924865 0.924865 0.678275 O\n0.018053 0.583562 0.816908 O\n0.931804 0.477883 0.681570 O\n0.685479 0.685479 0.926631 O\n0.583562 0.018053 0.816908 O\n0.806285 0.806285 0.582940 O\n0.586610 0.586610 0.817383 O\n0.477883 0.931804 0.681570 O\n0.199093 0.199093 0.918198 O\n0.197805 0.704984 0.915253 O\n0.069327 0.069327 0.829722 O\n0.704984 0.197805 0.915253 O\n",
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{
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{
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{
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"formula_full": "Zr3 Ti2 Pb5 O15",
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{
"id": "mp-760191",
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"structure_string": "Li2 Mn2 V2 P4 H4 O20\n1.0\n-5.337768 -0.020667 0.109248\n-1.052526 9.235888 -4.784349\n2.684513 -5.056460 -4.706676\nLi Mn V P H O\n2 2 2 4 4 20\ndirect\n0.589789 0.032563 0.184640 Li\n0.410211 0.467437 0.315360 Li\n0.994526 0.997400 0.991545 Mn\n0.005474 0.502600 0.508455 Mn\n0.000000 0.750000 0.250000 V\n0.000000 0.250000 0.750000 V\n0.645911 0.275674 0.050939 P\n0.646598 0.777185 0.545303 P\n0.354089 0.224326 0.449061 P\n0.353402 0.722815 0.954697 P\n0.938633 0.496068 0.153608 H\n0.966620 0.992741 0.652855 H\n0.061367 0.003932 0.346392 H\n0.033380 0.507259 0.847145 H\n0.951559 0.935638 0.212722 O\n0.656982 0.685718 0.043329 O\n0.814978 0.834798 0.454089 O\n0.973372 0.429246 0.714221 O\n0.746771 0.359720 0.285522 O\n0.753961 0.849006 0.780851 O\n0.657909 0.622833 0.487360 O\n0.342091 0.877167 0.012640 O\n0.655044 0.183071 0.527065 O\n0.810101 0.326245 0.950409 O\n0.185022 0.665202 0.045911 O\n0.343018 0.814282 0.456671 O\n0.663925 0.123574 0.015251 O\n0.336075 0.376426 0.484749 O\n0.253229 0.140280 0.214478 O\n0.246039 0.650994 0.719149 O\n0.048441 0.564362 0.287278 O\n0.189899 0.173755 0.549591 O\n0.344956 0.316929 0.972935 O\n0.026628 0.070754 0.785779 O\n",
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"formula_full": "Li2 Mn2 V2 P4 H4 O20",
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{
"id": "mp-1215736",
"created_at": "2022-09-04T14:39:31.790009Z",
"structure_string": "Yb4 Zr3 O12\n1.0\n6.382710 0.000000 0.000000\n-1.183169 6.298030 0.000000\n-1.056189 -1.086185 6.354120\nYb Zr O\n4 3 12\ndirect\n0.853908 0.386990 0.699400 Yb\n0.395474 0.706292 0.868296 Yb\n0.146092 0.613010 0.300600 Yb\n0.604526 0.293708 0.131704 Yb\n0.000000 0.000000 0.000000 Zr\n0.716041 0.864353 0.384631 Zr\n0.283959 0.135647 0.615369 Zr\n0.468111 0.600506 0.200256 O\n0.555509 0.150812 0.437100 O\n0.188914 0.424509 0.584407 O\n0.531889 0.399494 0.799744 O\n0.444491 0.849188 0.562900 O\n0.811086 0.575491 0.415593 O\n0.926810 0.034745 0.675698 O\n0.049867 0.681756 0.945062 O\n0.691449 0.939933 0.080186 O\n0.073190 0.965255 0.324302 O\n0.950133 0.318244 0.054938 O\n0.308551 0.060067 0.919814 O\n",
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]
}