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{
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"results": [
{
"id": "mp-1198797",
"created_at": "2022-09-04T14:40:10.426397Z",
"structure_string": "Sn4 H32 Cl16 O16\n1.0\n0.000000 6.922268 0.000000\n0.694669 0.000000 -12.060373\n-12.423850 -3.461134 0.000000\nSn H Cl O\n4 32 16 16\ndirect\n0.735893 0.939625 0.147060 Sn\n0.411166 0.439625 0.147060 Sn\n0.690341 0.688936 0.639910 Sn\n0.949569 0.188936 0.639910 Sn\n0.680623 0.158716 0.198239 H\n0.517616 0.658716 0.198239 H\n0.541873 0.091368 0.256083 H\n0.714210 0.591368 0.256083 H\n0.021149 0.034762 0.067341 H\n0.046192 0.534762 0.067341 H\n0.106326 0.059166 0.198738 H\n0.092413 0.559166 0.198738 H\n0.880580 0.523618 0.536183 H\n0.655603 0.023618 0.536183 H\n0.684557 0.469327 0.566522 H\n0.881965 0.969327 0.566522 H\n0.895768 0.591620 0.830814 H\n0.935046 0.091620 0.830814 H\n0.037994 0.691051 0.807844 H\n0.769850 0.191051 0.807844 H\n0.187486 0.541403 0.543717 H\n0.356231 0.041403 0.543717 H\n0.987953 0.688109 0.306291 H\n0.318338 0.188109 0.306291 H\n0.017071 0.574003 0.362884 H\n0.345813 0.074003 0.362884 H\n0.018689 0.932899 0.914367 H\n0.895678 0.432899 0.914367 H\n0.203561 0.012799 0.944931 H\n0.741370 0.512799 0.944931 H\n0.303047 0.798949 0.819732 H\n0.516684 0.298949 0.819732 H\n0.303521 0.764313 0.934158 H\n0.630638 0.264313 0.934158 H\n0.095595 0.426946 0.486808 H\n0.391212 0.926946 0.486808 H\n0.942743 0.888999 0.319921 Cl\n0.377178 0.388999 0.319921 Cl\n0.841730 0.788074 0.048210 Cl\n0.206480 0.288074 0.048210 Cl\n0.557850 0.030527 0.984840 Cl\n0.426990 0.530527 0.984840 Cl\n0.432187 0.852238 0.166631 Cl\n0.734444 0.352238 0.166631 Cl\n0.435532 0.730316 0.476810 Cl\n0.041278 0.230316 0.476810 Cl\n0.631810 0.849881 0.744955 Cl\n0.113145 0.349881 0.744955 Cl\n0.470808 0.565810 0.701199 Cl\n0.230391 0.065810 0.701199 Cl\n0.966266 0.768482 0.584211 Cl\n0.617945 0.268482 0.584211 Cl\n0.673640 0.090741 0.235909 O\n0.562269 0.590741 0.235909 O\n0.982952 0.047324 0.136782 O\n0.153831 0.547324 0.136782 O\n0.747738 0.538138 0.554300 O\n0.806562 0.038138 0.554300 O\n0.929335 0.633944 0.773342 O\n0.844007 0.133944 0.773342 O\n0.069613 0.507027 0.490999 O\n0.421386 0.007027 0.490999 O\n0.965236 0.607623 0.292122 O\n0.326886 0.107623 0.292122 O\n0.058292 0.010063 0.938313 O\n0.880022 0.510063 0.938313 O\n0.214360 0.782630 0.865058 O\n0.650698 0.282630 0.865058 O\n",
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"formula_full": "Sn4 H32 Cl16 O16",
"formula_reduced": "SnH8(ClO)4",
"formula_anonymous": "AB4C4D8",
"energy": -323.34895782,
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"spacegroup": 9
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{
"id": "mp-1382260",
"created_at": "2022-09-04T14:40:10.427921Z",
"structure_string": "Sr2 U2 Se4 O16\n1.0\n5.812316 0.000000 0.000000\n-2.291431 6.496605 0.000000\n-0.809191 -3.386011 10.932136\nSr U Se O\n2 2 4 16\ndirect\n0.769379 0.188718 0.562548 Sr\n0.230621 0.811282 0.437452 Sr\n0.005728 0.099453 0.163204 U\n0.994272 0.900547 0.836796 U\n0.820995 0.313419 0.877671 Se\n0.385828 0.350077 0.341689 Se\n0.179005 0.686581 0.122329 Se\n0.614172 0.649923 0.658311 Se\n0.063468 0.835420 0.029692 O\n0.961754 0.425753 0.157659 O\n0.651819 0.754360 0.910952 O\n0.348181 0.245640 0.089048 O\n0.492991 0.195207 0.426845 O\n0.928717 0.227228 0.752736 O\n0.338639 0.053002 0.757047 O\n0.231912 0.451515 0.442532 O\n0.661361 0.946998 0.242953 O\n0.936532 0.164580 0.970308 O\n0.507009 0.804793 0.573155 O\n0.071283 0.772772 0.247264 O\n0.768088 0.548485 0.557468 O\n0.901066 0.862736 0.658588 O\n0.098934 0.137264 0.341412 O\n0.038246 0.574247 0.842341 O\n",
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"formula_full": "Sr2 U2 Se4 O16",
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{
"id": "mp-1205150",
"created_at": "2022-09-04T14:40:10.431454Z",
"structure_string": "Dy16 Bi8 S36\n1.0\n28.066051 0.000000 0.000000\n0.000000 3.850270 0.000000\n0.000000 0.000000 12.603863\nDy Bi S\n16 8 36\ndirect\n0.688534 0.250000 0.891573 Dy\n0.188534 0.250000 0.608427 Dy\n0.311466 0.750000 0.108427 Dy\n0.811466 0.750000 0.391573 Dy\n0.817763 0.250000 0.741321 Dy\n0.317763 0.250000 0.758679 Dy\n0.182237 0.750000 0.258679 Dy\n0.682237 0.750000 0.241321 Dy\n0.057636 0.250000 0.739940 Dy\n0.557636 0.250000 0.760060 Dy\n0.942364 0.750000 0.260060 Dy\n0.442364 0.750000 0.239940 Dy\n0.804319 0.250000 0.073721 Dy\n0.304319 0.250000 0.426279 Dy\n0.195681 0.750000 0.926279 Dy\n0.695681 0.750000 0.573721 Dy\n0.561273 0.250000 0.432877 Bi\n0.061273 0.250000 0.067123 Bi\n0.438727 0.750000 0.567123 Bi\n0.938727 0.750000 0.932877 Bi\n0.933239 0.250000 0.564811 Bi\n0.433239 0.250000 0.935189 Bi\n0.066761 0.750000 0.435189 Bi\n0.566761 0.750000 0.064811 Bi\n0.992817 0.250000 0.383582 S\n0.492817 0.250000 0.116418 S\n0.007183 0.750000 0.616418 S\n0.507183 0.750000 0.883582 S\n0.639420 0.250000 0.106608 S\n0.139420 0.250000 0.393392 S\n0.360580 0.750000 0.893392 S\n0.860580 0.750000 0.606608 S\n0.957453 0.250000 0.107383 S\n0.457453 0.250000 0.392617 S\n0.042547 0.750000 0.892617 S\n0.542547 0.750000 0.607383 S\n0.441863 0.250000 0.710958 S\n0.941863 0.250000 0.789042 S\n0.558137 0.750000 0.289042 S\n0.058137 0.750000 0.210958 S\n0.768999 0.250000 0.536211 S\n0.268999 0.250000 0.963789 S\n0.231001 0.750000 0.463789 S\n0.731001 0.750000 0.036211 S\n0.883302 0.250000 0.375665 S\n0.383302 0.250000 0.124335 S\n0.116698 0.750000 0.624335 S\n0.616698 0.750000 0.875665 S\n0.659309 0.250000 0.407658 S\n0.159309 0.250000 0.092342 S\n0.340691 0.750000 0.592342 S\n0.840691 0.750000 0.907658 S\n0.755543 0.250000 0.267903 S\n0.255543 0.250000 0.232097 S\n0.244457 0.750000 0.732097 S\n0.744457 0.750000 0.767903 S\n0.650003 0.250000 0.681788 S\n0.150003 0.250000 0.818212 S\n0.349997 0.750000 0.318212 S\n0.849997 0.750000 0.181788 S\n",
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"volume": 1361.997057735474,
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"formula_full": "Dy16 Bi8 S36",
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"energy": -358.68866304,
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{
"id": "mp-1094138",
"created_at": "2022-09-04T14:40:10.434830Z",
"structure_string": "Na4 Co8 P8 O36\n1.0\n6.257613 0.000000 0.000000\n0.000000 7.496208 0.000000\n0.000000 0.000000 14.204910\nNa Co P O\n4 8 8 36\ndirect\n0.750000 0.890287 0.778889 Na\n0.750000 0.609713 0.278889 Na\n0.250000 0.390287 0.721111 Na\n0.250000 0.109713 0.221111 Na\n0.750000 0.355446 0.873470 Co\n0.250000 0.644554 0.126530 Co\n0.250000 0.855446 0.626530 Co\n0.750000 0.144554 0.373470 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.360959 0.935883 P\n0.750000 0.639041 0.064117 P\n0.750000 0.860959 0.564117 P\n0.250000 0.139041 0.435883 P\n0.750000 0.391197 0.687842 P\n0.750000 0.108803 0.187842 P\n0.250000 0.891197 0.812158 P\n0.250000 0.608803 0.312158 P\n0.047378 0.597722 0.375251 O\n0.547378 0.402278 0.624749 O\n0.952622 0.097722 0.124749 O\n0.452622 0.902278 0.875251 O\n0.952622 0.402278 0.624749 O\n0.452622 0.597722 0.375251 O\n0.047378 0.902278 0.875251 O\n0.547378 0.097722 0.124749 O\n0.250000 0.328307 0.484278 O\n0.750000 0.671693 0.515722 O\n0.750000 0.828307 0.015722 O\n0.250000 0.171693 0.984278 O\n0.750000 0.127916 0.953890 O\n0.250000 0.872084 0.046110 O\n0.250000 0.627916 0.546110 O\n0.750000 0.372084 0.453890 O\n0.750000 0.217611 0.747622 O\n0.250000 0.782389 0.252378 O\n0.250000 0.717611 0.752378 O\n0.750000 0.282389 0.247622 O\n0.445808 0.136026 0.368994 O\n0.945808 0.863974 0.631006 O\n0.554192 0.636026 0.131006 O\n0.054192 0.363974 0.868994 O\n0.554192 0.863974 0.631006 O\n0.054192 0.136026 0.368994 O\n0.445808 0.363974 0.868994 O\n0.945808 0.636026 0.131006 O\n0.750000 0.490302 0.993171 O\n0.250000 0.039140 0.734870 O\n0.250000 0.460860 0.234870 O\n0.750000 0.539140 0.765130 O\n0.750000 0.009698 0.493171 O\n0.250000 0.990302 0.506829 O\n0.250000 0.509698 0.006829 O\n0.750000 0.960860 0.265130 O\n",
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"formula_full": "Na4 Co8 P8 O36",
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"spacegroup": 62
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{
"id": "mp-1174555",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.114960 0.000000 0.000000\n-0.062939 5.886443 0.000000\n-2.389048 -1.573155 7.144067\nLi Mn Co O\n7 2 3 12\ndirect\n0.493876 0.079104 0.831463 Li\n0.502706 0.264055 0.495940 Li\n0.483889 0.587019 0.823080 Li\n0.497294 0.735945 0.504060 Li\n0.506124 0.920896 0.168537 Li\n0.516111 0.412981 0.176920 Li\n0.000000 0.500000 0.500000 Li\n0.996878 0.830615 0.829794 Mn\n0.003122 0.169385 0.170206 Mn\n0.000000 0.000000 0.500000 Co\n0.997296 0.335098 0.824385 Co\n0.002704 0.664902 0.175615 Co\n0.781168 0.886793 0.005147 O\n0.768244 0.026386 0.675586 O\n0.781907 0.362332 0.009788 O\n0.762591 0.552816 0.684734 O\n0.771393 0.722436 0.327501 O\n0.776428 0.202145 0.326450 O\n0.228607 0.277564 0.672499 O\n0.237409 0.447184 0.315266 O\n0.223572 0.797855 0.673550 O\n0.231756 0.973614 0.324414 O\n0.218832 0.113207 0.994853 O\n0.218093 0.637668 0.990212 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-772986",
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"structure_string": "Na6 Si2 Sn2 B2 O14\n1.0\n6.761661 0.000000 0.000000\n0.000000 5.374394 0.000000\n0.000000 0.308266 9.112201\nNa Si Sn B O\n6 2 2 2 14\ndirect\n0.750000 0.238915 0.919166 Na\n0.993682 0.745465 0.752476 Na\n0.506318 0.745465 0.752476 Na\n0.493682 0.254535 0.247524 Na\n0.006318 0.254535 0.247524 Na\n0.250000 0.761085 0.080834 Na\n0.750000 0.280729 0.574451 Si\n0.250000 0.719271 0.425549 Si\n0.250000 0.216560 0.659815 Sn\n0.750000 0.783440 0.340185 Sn\n0.250000 0.275332 0.938382 B\n0.750000 0.724668 0.061618 B\n0.750000 0.684370 0.917208 O\n0.250000 0.038932 0.875059 O\n0.250000 0.472048 0.829051 O\n0.941042 0.206060 0.678556 O\n0.558958 0.206060 0.678556 O\n0.750000 0.585905 0.537584 O\n0.250000 0.862097 0.581497 O\n0.750000 0.137903 0.418503 O\n0.250000 0.414095 0.462416 O\n0.441042 0.793940 0.321444 O\n0.058958 0.793940 0.321444 O\n0.750000 0.527952 0.170949 O\n0.750000 0.961068 0.124941 O\n0.250000 0.315630 0.082792 O\n",
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{
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"structure_string": "Mg14 Mn1 W1\n1.0\n6.275141 0.074081 0.000000\n-3.073414 5.323309 0.000000\n0.000000 0.000000 9.982802\nMg Mn W\n14 1 1\ndirect\n0.168360 0.334180 0.625000 Mg\n0.167269 0.833634 0.625000 Mg\n0.664272 0.332616 0.125000 Mg\n0.664130 0.332224 0.625000 Mg\n0.664272 0.831655 0.125000 Mg\n0.664130 0.831905 0.625000 Mg\n0.326658 0.159889 0.360224 Mg\n0.326658 0.159889 0.889776 Mg\n0.326658 0.666770 0.360224 Mg\n0.326658 0.666770 0.889776 Mg\n0.844474 0.172238 0.369601 Mg\n0.844474 0.172238 0.880399 Mg\n0.846478 0.673239 0.367063 Mg\n0.846478 0.673239 0.882937 Mg\n0.164238 0.332118 0.125000 Mn\n0.154793 0.827396 0.125000 W\n",
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{
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