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{
"id": "mp-1222541",
"created_at": "2022-09-04T14:42:39.896998Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.106205 0.000000 0.000000\n0.000000 8.525573 0.000000\n0.000000 6.463415 8.288871\nLi Fe Si O\n4 4 4 16\ndirect\n0.929372 0.995229 0.156887 Li\n0.070628 0.995229 0.656887 Li\n0.555333 0.500681 0.099794 Li\n0.444667 0.500681 0.599794 Li\n0.567931 0.003444 0.839516 Fe\n0.432069 0.003444 0.339516 Fe\n0.933985 0.501491 0.904454 Fe\n0.066015 0.501491 0.404454 Fe\n0.931404 0.750683 0.530353 Si\n0.068596 0.750683 0.030353 Si\n0.567883 0.249282 0.469174 Si\n0.432117 0.249282 0.969174 Si\n0.566778 0.450337 0.930263 O\n0.433222 0.450337 0.430263 O\n0.959310 0.550823 0.057125 O\n0.040690 0.550823 0.557125 O\n0.887107 0.261547 0.483923 O\n0.112893 0.261547 0.983923 O\n0.611551 0.766317 0.503860 O\n0.388449 0.766317 0.003860 O\n0.067421 0.946353 0.365646 O\n0.932579 0.946353 0.865646 O\n0.453889 0.054641 0.644076 O\n0.546111 0.054641 0.144076 O\n0.993039 0.734616 0.190688 O\n0.006961 0.734616 0.690688 O\n0.504248 0.234555 0.824241 O\n0.495752 0.234555 0.324241 O\n",
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{
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"formula_full": "Tl4 C4 O8",
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"updated_at": "2021-11-28T01:35:51.310000Z",
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{
"id": "mp-1103427",
"created_at": "2022-09-04T14:42:46.497316Z",
"structure_string": "Pd4 N8\n1.0\n5.136572 0.000000 0.000000\n0.000000 5.136572 0.000000\n0.000000 0.000000 5.136572\nPd N\n4 8\ndirect\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.068193 0.931807 0.431807 N\n0.931807 0.431807 0.068193 N\n0.431807 0.068193 0.931807 N\n0.568193 0.568193 0.568193 N\n0.931807 0.068193 0.568193 N\n0.068193 0.568193 0.931807 N\n0.568193 0.931807 0.068193 N\n0.431807 0.431807 0.431807 N\n",
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"spacegroup": 205
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{
"id": "mp-555582",
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"structure_string": "C24 Se2 F20\n1.0\n7.630529 0.000000 0.000000\n0.000000 9.460973 0.000000\n0.000000 2.723767 9.244474\nC Se F\n24 2 20\ndirect\n0.336905 0.453012 0.701282 C\n0.306088 0.545302 0.788455 C\n0.635050 0.434260 0.169640 C\n0.450211 0.927938 0.886483 C\n0.200755 0.377696 0.655923 C\n0.570514 0.095024 0.617426 C\n0.682011 0.993479 0.709089 C\n0.530499 0.600222 0.300765 C\n0.806088 0.454698 0.211545 C\n0.122263 0.089209 0.155454 C\n0.622263 0.910791 0.844546 C\n0.182011 0.006521 0.290911 C\n0.700755 0.622304 0.344077 C\n0.898148 0.885216 0.342584 C\n0.839791 0.972574 0.208036 C\n0.398148 0.114784 0.657416 C\n0.996671 0.492679 0.785685 C\n0.030499 0.399778 0.699235 C\n0.339791 0.027426 0.791964 C\n0.836905 0.546988 0.298718 C\n0.135050 0.565740 0.830360 C\n0.496671 0.507321 0.214315 C\n0.070514 0.904976 0.382574 C\n0.950211 0.072062 0.113517 C\n0.244942 0.255427 0.529811 Se\n0.744942 0.744573 0.470189 Se\n0.672763 0.962051 0.165918 F\n0.847372 0.974340 0.667869 F\n0.003885 0.561415 0.339807 F\n0.603459 0.342850 0.088126 F\n0.831819 0.512589 0.826692 F\n0.890786 0.153163 0.983719 F\n0.940053 0.382725 0.169905 F\n0.103459 0.657150 0.911874 F\n0.347372 0.025660 0.332131 F\n0.893047 0.331903 0.657224 F\n0.390786 0.846837 0.016281 F\n0.172763 0.037949 0.834082 F\n0.229604 0.186886 0.066715 F\n0.440053 0.617275 0.830095 F\n0.503885 0.438585 0.660193 F\n0.393047 0.668097 0.342776 F\n0.634414 0.174108 0.487978 F\n0.134414 0.825892 0.512022 F\n0.729604 0.813114 0.933285 F\n0.331819 0.487411 0.173308 F\n",
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"density": 2.0555717906674458,
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"volume": 667.3791825570363,
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"formula_full": "C24 Se2 F20",
"formula_reduced": "C12SeF10",
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{
"id": "mp-1234638",
"created_at": "2022-09-04T14:42:40.438997Z",
"structure_string": "Dy6 Mg1 Sb10 O24\n1.0\n-5.611578 5.611578 5.611578\n5.460785 -5.460785 5.309992\n5.460785 5.309992 -5.460785\nDy Mg Sb O\n6 1 10 24\ndirect\n0.731365 0.243244 0.487907 Dy\n0.731365 0.487907 0.243244 Dy\n0.488120 0.244662 0.756756 Dy\n0.488120 0.756756 0.244662 Dy\n0.243458 0.755338 0.512093 Dy\n0.243458 0.512093 0.755338 Dy\n0.308074 0.000000 0.000000 Mg\n0.578192 0.000000 0.000000 Sb\n0.246349 0.000000 0.299070 Sb\n0.246349 0.299070 0.000000 Sb\n0.718493 0.000000 0.713590 Sb\n0.718493 0.713590 0.000000 Sb\n0.993347 0.524306 0.000000 Sb\n0.993347 0.000000 0.524306 Sb\n0.469040 0.475694 0.475694 Sb\n0.004903 0.286410 0.286410 Sb\n0.947279 0.700930 0.700930 Sb\n0.509614 0.000000 0.184686 O\n0.509614 0.184686 0.000000 O\n0.703130 0.496484 0.000000 O\n0.703130 0.000000 0.496484 O\n0.810334 0.300275 0.300275 O\n0.481967 0.491418 0.191543 O\n0.481967 0.191543 0.491418 O\n0.510060 0.699725 0.000000 O\n0.510060 0.000000 0.699725 O\n0.691160 0.488947 0.488947 O\n0.805372 0.281067 0.796555 O\n0.805372 0.796555 0.281067 O\n0.202211 0.511053 0.000000 O\n0.202211 0.000000 0.511053 O\n0.524303 0.718933 0.515487 O\n0.524303 0.515487 0.718933 O\n0.008817 0.484513 0.203445 O\n0.008817 0.203445 0.484513 O\n0.290425 0.808457 0.299876 O\n0.290425 0.299876 0.808457 O\n0.206647 0.503516 0.503516 O\n0.990549 0.700124 0.508582 O\n0.990549 0.508582 0.700124 O\n0.324928 0.815314 0.815314 O\n",
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"formula_full": "Dy6 Mg1 Sb10 O24",
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{
"id": "mp-1233355",
"created_at": "2022-09-04T14:42:28.811479Z",
"structure_string": "Mg1 Al4 H12 O12\n1.0\n-4.250315 3.179283 4.596527\n4.896678 -1.824938 4.987576\n4.161413 1.915425 -5.527713\nMg Al H O\n1 4 12 12\ndirect\n0.949890 0.968572 0.043921 Mg\n0.508560 0.850313 0.326316 Al\n0.497265 0.181919 0.690521 Al\n0.007923 0.689960 0.657320 Al\n0.031971 0.340570 0.378795 Al\n0.998546 0.005421 0.560556 H\n0.747659 0.737574 0.028691 H\n0.574027 0.561202 0.810882 H\n0.478014 0.504600 0.151920 H\n0.907730 0.660445 0.241215 H\n0.954751 0.328131 0.666631 H\n0.480000 0.208666 0.315501 H\n0.373414 0.792295 0.564502 H\n0.565659 0.797773 0.019092 H\n0.521819 0.091659 0.021675 H\n0.089030 0.348903 0.062649 H\n0.941610 0.622230 0.942296 H\n0.925492 0.939191 0.618368 O\n0.092927 0.097225 0.417062 O\n0.449640 0.423249 0.646523 O\n0.570402 0.595368 0.339928 O\n0.041207 0.616620 0.416115 O\n0.046149 0.428788 0.659279 O\n0.448796 0.106380 0.367868 O\n0.522484 0.897562 0.618354 O\n0.422952 0.840748 0.007345 O\n0.604098 0.215378 0.031044 O\n0.938662 0.268452 0.024561 O\n0.063007 0.732586 0.974321 O\n",
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{
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"structure_string": "Ba1 Sr1 Y1 Bi1 O6\n1.0\n-0.000000 -4.328357 -4.328357\n4.328357 0.000000 -4.328357\n4.328357 -4.328357 0.000000\nBa Sr Y Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Bi\n0.755820 0.244180 0.244180 O\n0.244180 0.755820 0.755820 O\n0.755820 0.244180 0.755820 O\n0.244180 0.755820 0.244180 O\n0.755820 0.755820 0.244180 O\n0.244180 0.244180 0.755820 O\n",
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"formula_full": "Ba1 Sr1 Y1 Bi1 O6",
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{
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{
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"elements": [
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"chemical_system": "S-Zn",
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"density_atomic": 0.041002318566342476,
"volume": 2438.8864702418773,
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"formula_full": "Zn50 S50",
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"updated_at": "2021-11-28T01:35:52.506000Z",
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},
{
"id": "mp-1520526",
"created_at": "2022-09-04T14:42:45.796621Z",
"structure_string": "Ba8 La4 Bi4 O24\n1.0\n8.933914 0.000000 -0.000000\n0.000000 8.933914 0.000000\n-0.000000 0.000000 8.933914\nBa La Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 La\n0.250000 0.750000 0.750000 La\n0.750000 0.250000 0.750000 La\n0.750000 0.750000 0.250000 La\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.223708 0.280385 0.511825 O\n0.223708 0.719615 0.488175 O\n0.776292 0.280385 0.488175 O\n0.776292 0.719615 0.511825 O\n0.280385 0.511825 0.223708 O\n0.719615 0.488175 0.223708 O\n0.280385 0.488175 0.776292 O\n0.719615 0.511825 0.776292 O\n0.511825 0.223708 0.280385 O\n0.488175 0.223708 0.719615 O\n0.488175 0.776292 0.280385 O\n0.511825 0.776292 0.719615 O\n0.276292 0.219615 0.988175 O\n0.276292 0.780385 0.011825 O\n0.723708 0.219615 0.011825 O\n0.723708 0.780385 0.988175 O\n0.219615 0.988175 0.276292 O\n0.780385 0.011825 0.276292 O\n0.219615 0.011825 0.723708 O\n0.780385 0.988175 0.723708 O\n0.988175 0.276292 0.219615 O\n0.011825 0.276292 0.780385 O\n0.011825 0.723708 0.219615 O\n0.988175 0.723708 0.780385 O\n",
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},
{
"id": "mp-1234116",
"created_at": "2022-09-04T14:42:50.769055Z",
"structure_string": "K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.313700 0.066238 -1.075635\n3.076395 -8.548589 -1.122359\n0.032274 0.019588 9.612086\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.405136 0.681687 0.689179 K\n0.594864 0.318313 0.310821 K\n0.500000 0.000000 0.500000 Mg\n0.216784 0.616233 0.229943 Zn\n0.783216 0.383767 0.770057 Zn\n0.689851 0.888089 0.111414 Zn\n0.310149 0.111911 0.888586 Zn\n0.086313 0.757974 0.948262 P\n0.913687 0.242026 0.051738 P\n0.842468 0.743998 0.390126 P\n0.157532 0.256002 0.609874 P\n0.969582 0.913779 0.600521 H\n0.030418 0.086221 0.399479 H\n0.976872 0.400323 0.152971 O\n0.023128 0.599677 0.847029 O\n0.291248 0.766111 0.096702 O\n0.708752 0.233889 0.903298 O\n0.752485 0.110983 0.120301 O\n0.247515 0.889017 0.879699 O\n0.826642 0.777288 0.975085 O\n0.173357 0.222712 0.024915 O\n0.570814 0.610477 0.326298 O\n0.429186 0.389523 0.673702 O\n0.872349 0.887653 0.315795 O\n0.127651 0.112347 0.684205 O\n0.074461 0.680515 0.392763 O\n0.925539 0.319485 0.607237 O\n0.851258 0.801609 0.556764 O\n0.148742 0.198391 0.443236 O\n",
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],
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},
{
"id": "mp-1026595",
"created_at": "2022-09-04T14:42:45.839529Z",
"structure_string": "Sr1 Mg14 C1\n1.0\n6.648485 0.320312 0.000000\n-3.046844 5.277288 0.000000\n0.000000 0.000000 10.240256\nSr Mg C\n1 14 1\ndirect\n0.115374 0.307686 0.125000 Sr\n0.167436 0.333718 0.625000 Mg\n0.146823 0.823411 0.625000 Mg\n0.591616 0.276572 0.125000 Mg\n0.656435 0.333010 0.625000 Mg\n0.591616 0.815043 0.125000 Mg\n0.656435 0.823424 0.625000 Mg\n0.343257 0.165355 0.379764 Mg\n0.343257 0.165355 0.870236 Mg\n0.343257 0.677903 0.379764 Mg\n0.343257 0.677903 0.870236 Mg\n0.827779 0.163890 0.391205 Mg\n0.827779 0.163890 0.858795 Mg\n0.879209 0.689605 0.323589 Mg\n0.879209 0.689605 0.926411 Mg\n0.287259 0.893629 0.125000 C\n",
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"elements": [
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"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 1.9780815936847476,
"density_atomic": 0.04332718105172848,
"volume": 369.28319848220775,
"volume_molar": 13.899221259767959,
"formula_full": "Sr1 Mg14 C1",
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"updated_at": "2021-11-28T01:35:55.909000Z",
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}
]
}