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{
"id": "mp-1190927",
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"structure_string": "Pr6 In2 Fe2 S14\n1.0\n5.034516 -8.720038 0.000000\n5.034516 8.720038 0.000000\n0.000000 0.000000 6.422952\nPr In Fe S\n6 2 2 14\ndirect\n0.845657 0.220135 0.318872 Pr\n0.779865 0.625521 0.318872 Pr\n0.374479 0.154343 0.318872 Pr\n0.154343 0.779865 0.818872 Pr\n0.220135 0.374479 0.818872 Pr\n0.625521 0.845657 0.818872 Pr\n0.333333 0.666667 0.390330 In\n0.666667 0.333333 0.890330 In\n0.000000 0.000000 0.477349 Fe\n0.000000 0.000000 0.977349 Fe\n0.128257 0.224103 0.219198 S\n0.775897 0.904154 0.219198 S\n0.095846 0.871743 0.219198 S\n0.871743 0.775897 0.719198 S\n0.224103 0.095846 0.719198 S\n0.904154 0.128257 0.719198 S\n0.565932 0.080575 0.058672 S\n0.919425 0.485357 0.058672 S\n0.514643 0.434068 0.058672 S\n0.434068 0.919425 0.558672 S\n0.080575 0.514643 0.558672 S\n0.485357 0.565932 0.558672 S\n0.333333 0.666667 0.011752 S\n0.666667 0.333333 0.511752 S\n",
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{
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"formula_full": "K2 Eu2 Mo4 O16",
"formula_reduced": "KEu(MoO4)2",
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{
"id": "mp-1203654",
"created_at": "2022-09-04T14:45:40.659300Z",
"structure_string": "La16 Si8 I16 O32\n1.0\n8.614798 0.000000 0.000000\n0.000000 8.564509 0.000000\n0.000000 1.050452 22.647650\nLa Si I O\n16 8 16 32\ndirect\n0.436993 0.624413 0.654566 La\n0.936993 0.375587 0.845434 La\n0.563007 0.375587 0.345434 La\n0.063007 0.624413 0.154566 La\n0.296800 0.124971 0.654992 La\n0.796800 0.875029 0.845008 La\n0.703200 0.875029 0.345008 La\n0.203200 0.124971 0.154992 La\n0.306028 0.757394 0.812656 La\n0.806028 0.242606 0.687344 La\n0.693972 0.242606 0.187344 La\n0.193972 0.757394 0.312656 La\n0.426852 0.258575 0.812266 La\n0.926852 0.741425 0.687734 La\n0.573148 0.741425 0.187734 La\n0.073148 0.258575 0.312266 La\n0.563215 0.962619 0.737453 Si\n0.063215 0.037381 0.762547 Si\n0.436785 0.037381 0.262547 Si\n0.936785 0.962619 0.237453 Si\n0.670953 0.536212 0.762790 Si\n0.170953 0.463788 0.737210 Si\n0.329047 0.463788 0.237210 Si\n0.829047 0.536212 0.262790 Si\n0.548827 0.332744 0.571889 I\n0.048827 0.667256 0.928111 I\n0.451173 0.667256 0.428111 I\n0.951173 0.332744 0.071889 I\n0.184927 0.835040 0.571927 I\n0.684927 0.164960 0.928073 I\n0.815073 0.164960 0.428073 I\n0.315073 0.835040 0.071927 I\n0.044177 0.363912 0.580478 I\n0.544177 0.636088 0.919522 I\n0.955823 0.636088 0.419522 I\n0.455823 0.363912 0.080478 I\n0.693325 0.860153 0.579784 I\n0.193325 0.139847 0.920216 I\n0.306675 0.139847 0.420216 I\n0.806675 0.860153 0.079784 I\n0.691894 0.631868 0.295667 O\n0.191894 0.368132 0.204333 O\n0.308106 0.368132 0.704333 O\n0.808106 0.631868 0.795667 O\n0.489808 0.586155 0.769507 O\n0.989808 0.413845 0.730493 O\n0.510192 0.413845 0.230493 O\n0.010192 0.586155 0.269507 O\n0.745814 0.917258 0.731203 O\n0.245814 0.082742 0.768797 O\n0.254186 0.082742 0.268797 O\n0.754186 0.917258 0.231203 O\n0.528020 0.945500 0.809467 O\n0.028020 0.054500 0.690533 O\n0.471980 0.054500 0.190533 O\n0.971980 0.945500 0.309467 O\n0.541681 0.147371 0.715264 O\n0.041681 0.852629 0.784736 O\n0.458319 0.852629 0.284736 O\n0.958319 0.147371 0.215264 O\n0.569575 0.132919 0.297726 O\n0.069575 0.867081 0.202274 O\n0.430425 0.867081 0.702274 O\n0.930425 0.132919 0.797726 O\n0.691798 0.352528 0.786366 O\n0.191798 0.647472 0.713634 O\n0.308202 0.647472 0.213634 O\n0.808202 0.352528 0.286366 O\n0.704427 0.548473 0.690523 O\n0.204427 0.451527 0.809477 O\n0.295573 0.451527 0.309477 O\n0.795573 0.548473 0.190523 O\n",
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"density": 4.958452875834884,
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"volume": 1670.9779282844622,
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"formula_full": "La16 Si8 I16 O32",
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"energy": -534.8976810300001,
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{
"id": "mp-1211552",
"created_at": "2022-09-04T14:45:40.863873Z",
"structure_string": "Li6 Mn4 Se8 O24\n1.0\n-7.602617 0.000000 0.000000\n3.498916 7.604033 0.000000\n-0.231300 -3.122865 -10.086069\nLi Mn Se O\n6 4 8 24\ndirect\n0.650917 0.542679 0.917902 Li\n0.349083 0.457321 0.082098 Li\n0.055629 0.380130 0.829773 Li\n0.944371 0.619870 0.170227 Li\n0.755193 0.546094 0.422023 Li\n0.244807 0.453906 0.577977 Li\n0.939686 0.288246 0.279373 Mn\n0.060314 0.711754 0.720627 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.715490 0.209021 0.979400 Se\n0.284510 0.790979 0.020600 Se\n0.674735 0.744942 0.704354 Se\n0.325265 0.255058 0.295646 Se\n0.312320 0.175930 0.767375 Se\n0.687680 0.824070 0.232625 Se\n0.735668 0.248030 0.569440 Se\n0.264332 0.751970 0.430560 Se\n0.729815 0.289963 0.419490 O\n0.270185 0.710037 0.580510 O\n0.961896 0.412071 0.646962 O\n0.038104 0.587929 0.353038 O\n0.190741 0.005103 0.846382 O\n0.809259 0.994897 0.153618 O\n0.776974 0.370209 0.897659 O\n0.223026 0.629791 0.102341 O\n0.858632 0.752658 0.596402 O\n0.141368 0.247342 0.403598 O\n0.359958 0.371768 0.891228 O\n0.640042 0.628232 0.108772 O\n0.122812 0.179466 0.676522 O\n0.877188 0.820534 0.323478 O\n0.808217 0.746609 0.842698 O\n0.191783 0.253391 0.157302 O\n0.766254 0.043280 0.523446 O\n0.233746 0.956720 0.476554 O\n0.913398 0.151223 0.933573 O\n0.086602 0.848777 0.066427 O\n0.517778 0.520598 0.652823 O\n0.482222 0.479402 0.347177 O\n0.784795 0.340646 0.141826 O\n0.215205 0.659354 0.858174 O\n",
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"elements": [
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"formula_full": "Li6 Mn4 Se8 O24",
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{
"id": "mp-1199538",
"created_at": "2022-09-04T14:45:40.782114Z",
"structure_string": "Mn8 Fe4 P8 O44\n1.0\n0.000000 0.000000 7.868215\n9.676993 0.000000 0.000000\n0.000000 9.398756 0.000000\nMn Fe P O\n8 4 8 44\ndirect\n0.637140 0.956859 0.617046 Mn\n0.862860 0.543141 0.117046 Mn\n0.137140 0.543141 0.382954 Mn\n0.362860 0.956859 0.882954 Mn\n0.362860 0.043141 0.382954 Mn\n0.137140 0.456859 0.882954 Mn\n0.862860 0.456859 0.617046 Mn\n0.637140 0.043141 0.117046 Mn\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.283900 0.791489 0.608304 P\n0.216100 0.708511 0.108304 P\n0.783900 0.708511 0.391696 P\n0.716100 0.791489 0.891696 P\n0.716100 0.208511 0.391696 P\n0.783900 0.291489 0.891696 P\n0.216100 0.291489 0.608304 P\n0.283900 0.208511 0.108304 P\n0.331726 0.796518 0.768013 O\n0.168274 0.703482 0.268013 O\n0.831726 0.703482 0.231987 O\n0.668274 0.796518 0.731987 O\n0.668274 0.203482 0.231987 O\n0.831726 0.296518 0.731987 O\n0.168274 0.296518 0.768013 O\n0.331726 0.203482 0.268013 O\n0.414237 0.888424 0.526101 O\n0.085763 0.611576 0.026101 O\n0.914237 0.611576 0.473899 O\n0.585763 0.888424 0.973899 O\n0.585763 0.111576 0.473899 O\n0.914237 0.388424 0.973899 O\n0.085763 0.388424 0.526101 O\n0.414237 0.111576 0.026101 O\n0.295725 0.640143 0.554098 O\n0.204275 0.859857 0.054098 O\n0.795725 0.859857 0.445902 O\n0.704275 0.640143 0.945902 O\n0.704275 0.359857 0.445902 O\n0.795725 0.140143 0.945902 O\n0.204275 0.140143 0.554098 O\n0.295725 0.359857 0.054098 O\n0.102499 0.843934 0.588004 O\n0.397501 0.656066 0.088004 O\n0.602499 0.656066 0.411996 O\n0.897501 0.843934 0.911996 O\n0.897501 0.156066 0.411996 O\n0.602499 0.343934 0.911996 O\n0.397501 0.343934 0.588004 O\n0.102499 0.156066 0.088004 O\n0.500000 0.045604 0.750000 O\n0.000000 0.454396 0.250000 O\n0.500000 0.954396 0.250000 O\n0.000000 0.545604 0.750000 O\n0.154915 0.024895 0.846452 O\n0.345085 0.475105 0.346452 O\n0.654915 0.475105 0.153548 O\n0.845085 0.024895 0.653548 O\n0.845085 0.975105 0.153548 O\n0.654915 0.524895 0.653548 O\n0.345085 0.524895 0.846452 O\n0.154915 0.975105 0.346452 O\n",
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"formula_full": "Mn8 Fe4 P8 O44",
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},
{
"id": "mp-1189956",
"created_at": "2022-09-04T14:45:41.260088Z",
"structure_string": "Ba2 Mn2 O2 F10\n1.0\n8.077134 0.000000 0.000000\n0.000000 5.623929 0.000000\n0.000000 2.308295 5.872215\nBa Mn O F\n2 2 2 10\ndirect\n0.250000 0.906953 0.377155 Ba\n0.750000 0.093047 0.622845 Ba\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.250000 0.329922 0.574825 O\n0.750000 0.670078 0.425175 O\n0.250000 0.390262 0.034600 F\n0.750000 0.609738 0.965400 F\n0.036358 0.704627 0.172337 F\n0.536358 0.295373 0.827663 F\n0.963642 0.295373 0.827663 F\n0.463642 0.704627 0.172337 F\n0.031813 0.788553 0.723188 F\n0.531813 0.211447 0.276812 F\n0.968187 0.211447 0.276812 F\n0.468187 0.788553 0.723188 F\n",
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{
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"structure_string": "Dy6 Ga2 Fe2 Se14\n1.0\n0.000000 0.000000 -6.418065\n-4.991572 -8.625832 0.000000\n-4.997002 8.628986 0.000000\nDy Ga Fe Se\n6 2 2 14\ndirect\n0.821437 0.157487 0.785424 Dy\n0.821884 0.214654 0.372481 Dy\n0.821792 0.627583 0.841930 Dy\n0.321437 0.842513 0.214576 Dy\n0.321884 0.785346 0.627519 Dy\n0.321792 0.372417 0.158070 Dy\n0.898189 0.666657 0.333316 Ga\n0.398189 0.333343 0.666684 Ga\n0.492627 0.000017 0.999773 Fe\n0.992627 0.999983 0.000227 Fe\n0.553400 0.437827 0.919769 Se\n0.553316 0.080158 0.518577 Se\n0.553756 0.481935 0.561942 Se\n0.053400 0.562173 0.080231 Se\n0.053316 0.919842 0.481423 Se\n0.053756 0.518065 0.438058 Se\n0.523878 0.666659 0.333116 Se\n0.023878 0.333341 0.666884 Se\n0.736787 0.869503 0.768605 Se\n0.736674 0.229989 0.100125 Se\n0.736860 0.900112 0.129068 Se\n0.236787 0.130497 0.231395 Se\n0.236674 0.770011 0.899875 Se\n0.236860 0.099888 0.870932 Se\n",
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{
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