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{
"id": "mp-1184061",
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"structure_string": "Dy1 Tl1 Rh2\n1.0\n0.000000 3.352315 3.352315\n3.352315 0.000000 3.352315\n3.352315 3.352315 0.000000\nDy Tl Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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],
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{
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"structure_string": "Sr2 Li2 Mg12\n1.0\n5.289043 0.000000 0.000000\n0.000000 6.739340 0.000000\n0.000000 0.000000 11.837796\nSr Li Mg\n2 2 12\ndirect\n0.500000 0.500000 0.171187 Sr\n0.500000 0.000000 0.671187 Sr\n0.000000 0.500000 0.344755 Li\n0.000000 0.000000 0.844755 Li\n0.000000 0.766524 0.074620 Mg\n0.000000 0.233476 0.074620 Mg\n0.000000 0.000000 0.331118 Mg\n0.500000 0.258155 0.421562 Mg\n0.500000 0.741845 0.421562 Mg\n0.500000 0.000000 0.160575 Mg\n0.000000 0.266524 0.574620 Mg\n0.000000 0.733476 0.574620 Mg\n0.000000 0.500000 0.831118 Mg\n0.500000 0.758155 0.921562 Mg\n0.500000 0.241845 0.921562 Mg\n0.500000 0.500000 0.660575 Mg\n",
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{
"id": "mp-864666",
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"structure_string": "Nd6 Si2 Ag2 S14\n1.0\n5.158770 -8.935252 0.000000\n5.158770 8.935252 0.000000\n0.000000 0.000000 5.785584\nNd Si Ag S\n6 2 2 14\ndirect\n0.125302 0.359856 0.247229 Nd\n0.874698 0.640144 0.747229 Nd\n0.640144 0.765446 0.247229 Nd\n0.234554 0.874698 0.247229 Nd\n0.765446 0.125302 0.747229 Nd\n0.359856 0.234554 0.747229 Nd\n0.333333 0.666667 0.659334 Si\n0.666667 0.333333 0.159334 Si\n0.000000 0.000000 0.313360 Ag\n0.000000 0.000000 0.813360 Ag\n0.333333 0.666667 0.025382 S\n0.666667 0.333333 0.525382 S\n0.410114 0.525083 0.513549 S\n0.589886 0.474917 0.013549 S\n0.474917 0.885031 0.513549 S\n0.114969 0.589886 0.513549 S\n0.885031 0.410114 0.013549 S\n0.525083 0.114969 0.013549 S\n0.093772 0.269360 0.765325 S\n0.906228 0.730640 0.265325 S\n0.730640 0.824412 0.765325 S\n0.175588 0.906228 0.765325 S\n0.824412 0.093772 0.265325 S\n0.269360 0.175588 0.265325 S\n",
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"formula_full": "Nd6 Si2 Ag2 S14",
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"formula_anonymous": "ABC3D7",
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},
{
"id": "mp-1221203",
"created_at": "2022-09-04T14:39:35.646070Z",
"structure_string": "Na3 Tl4\n1.0\n-3.802389 -3.802389 0.000000\n0.000000 3.802389 -3.802389\n3.750631 -3.750631 -7.553021\nNa Tl\n3 4\ndirect\n0.374946 0.749892 0.875162 Na\n0.994710 0.989420 0.015870 Na\n0.505456 0.010913 0.483631 Na\n0.628498 0.256995 0.114507 Tl\n0.124799 0.249599 0.625602 Tl\n0.246220 0.492441 0.261339 Tl\n0.750370 0.500740 0.748890 Tl\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Na-Tl",
"density": 6.763257148855579,
"density_atomic": 0.03216065418907707,
"volume": 217.65726402348668,
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"formula_full": "Na3 Tl4",
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"spacegroup": 160
},
{
"id": "mp-684470",
"created_at": "2022-09-04T14:39:34.350498Z",
"structure_string": "Li6 Sn4 P10 O32\n1.0\n7.523722 0.000000 0.000000\n0.000000 5.259701 0.000000\n0.000000 1.781209 18.620281\nLi Sn P O\n6 4 10 32\ndirect\n0.628850 0.205256 0.459230 Li\n0.371150 0.794744 0.540770 Li\n0.371150 0.205256 0.959230 Li\n0.628850 0.794744 0.040770 Li\n0.965970 0.500000 0.750000 Li\n0.034030 0.500000 0.250000 Li\n0.854605 0.270242 0.921244 Sn\n0.145395 0.270242 0.421244 Sn\n0.145395 0.729758 0.078756 Sn\n0.854605 0.729758 0.578756 Sn\n0.155811 0.723479 0.906010 P\n0.248723 0.000000 0.250000 P\n0.844189 0.276521 0.093990 P\n0.844189 0.723479 0.406010 P\n0.524454 0.267973 0.624353 P\n0.155811 0.276521 0.593990 P\n0.524454 0.732027 0.875647 P\n0.475546 0.267973 0.124353 P\n0.475546 0.732027 0.375647 P\n0.751277 0.000000 0.750000 P\n0.795103 0.483579 0.033077 O\n0.147407 0.190639 0.289212 O\n0.426873 0.546997 0.107707 O\n0.854725 0.011965 0.067323 O\n0.145275 0.011965 0.567323 O\n0.996183 0.639732 0.862155 O\n0.384826 0.158315 0.197809 O\n0.147407 0.809361 0.210788 O\n0.996183 0.360268 0.637845 O\n0.573127 0.546997 0.607707 O\n0.145275 0.988035 0.932677 O\n0.321746 0.259012 0.651774 O\n0.795103 0.516421 0.466923 O\n0.426873 0.453003 0.392293 O\n0.003817 0.639732 0.362156 O\n0.204897 0.483579 0.533077 O\n0.852593 0.190639 0.789212 O\n0.615174 0.841685 0.802191 O\n0.615174 0.158315 0.697809 O\n0.384826 0.841685 0.302191 O\n0.678254 0.740988 0.348226 O\n0.204897 0.516421 0.966923 O\n0.573127 0.453003 0.892293 O\n0.556939 0.096108 0.565541 O\n0.556939 0.903892 0.934459 O\n0.443061 0.096108 0.065541 O\n0.321746 0.740988 0.848226 O\n0.852593 0.809361 0.710788 O\n0.003817 0.360268 0.137845 O\n0.854725 0.988035 0.432677 O\n0.443061 0.903892 0.434459 O\n0.678254 0.259012 0.151774 O\n",
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"elements": [
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],
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"volume": 736.8515936074152,
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"formula_full": "Li6 Sn4 P10 O32",
"formula_reduced": "Li3Sn2P5O16",
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{
"id": "mp-13222",
"created_at": "2022-09-04T14:39:34.361012Z",
"structure_string": "Sm2 Mg4 Cu18\n1.0\n2.515669 -4.357267 0.000000\n2.515669 4.357267 0.000000\n0.000000 0.000000 16.177380\nSm Mg Cu\n2 4 18\ndirect\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.467940 Mg\n0.333333 0.666667 0.967940 Mg\n0.666667 0.333333 0.032060 Mg\n0.333333 0.666667 0.532060 Mg\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.168125 0.831875 0.377367 Cu\n0.168125 0.336251 0.377367 Cu\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.168125 0.336251 0.122633 Cu\n0.831875 0.168125 0.622633 Cu\n0.336251 0.168125 0.622633 Cu\n0.663749 0.831875 0.122633 Cu\n0.168125 0.831875 0.122633 Cu\n0.831875 0.663749 0.877367 Cu\n0.831875 0.168125 0.877367 Cu\n0.831875 0.663749 0.622633 Cu\n0.336251 0.168125 0.877367 Cu\n0.663749 0.831875 0.377367 Cu\n",
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{
"id": "mp-1096653",
"created_at": "2022-09-04T14:39:34.363138Z",
"structure_string": "Y2 Ag1 Pb1\n1.0\n-5.842950 6.613923 9.285546\n5.842950 -6.613923 9.285546\n5.842950 6.613923 -9.285546\nY Ag Pb\n2 1 1\ndirect\n0.000000 0.255946 0.255946 Y\n0.000000 0.744054 0.744054 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:39:36.175733Z",
"structure_string": "Ga50 N50\n1.0\n11.868748 -0.272866 -0.092529\n-0.267701 11.837877 -0.669683\n-0.090543 -0.670083 11.582717\nGa N\n50 50\ndirect\n0.136730 0.648346 0.556056 Ga\n0.261621 0.401529 0.401151 Ga\n0.051898 0.654606 0.870204 Ga\n0.906734 0.728126 0.661480 Ga\n0.379106 0.211471 0.179908 Ga\n0.524676 0.557606 0.755056 Ga\n0.596732 0.769079 0.645315 Ga\n0.175575 0.819357 0.232906 Ga\n0.444254 0.556881 0.256202 Ga\n0.929856 0.014747 0.248055 Ga\n0.274829 0.826327 0.903722 Ga\n0.137532 0.011399 0.058908 Ga\n0.870089 0.506626 0.854491 Ga\n0.739512 0.234871 0.880636 Ga\n0.997958 0.271399 0.389482 Ga\n0.515389 0.827701 0.864233 Ga\n0.758031 0.139719 0.418043 Ga\n0.609441 0.669857 0.949057 Ga\n0.773761 0.598211 0.094914 Ga\n0.944505 0.048630 0.541882 Ga\n0.992706 0.819092 0.409161 Ga\n0.504695 0.768941 0.197185 Ga\n0.787081 0.455181 0.325851 Ga\n0.578317 0.379302 0.333317 Ga\n0.328983 0.348890 0.611945 Ga\n0.610357 0.031302 0.249596 Ga\n0.088927 0.221165 0.166326 Ga\n0.051969 0.483279 0.324610 Ga\n0.270075 0.664834 0.333426 Ga\n0.835968 0.959217 0.017171 Ga\n0.910325 0.378991 0.063527 Ga\n0.451873 0.568746 0.518517 Ga\n0.941054 0.231384 0.707382 Ga\n0.911616 0.462332 0.581806 Ga\n0.396998 0.928033 0.107896 Ga\n0.951438 0.130934 0.919826 Ga\n0.777601 0.987703 0.787959 Ga\n0.812078 0.768631 0.858268 Ga\n0.370012 0.779169 0.567093 Ga\n0.998948 0.666694 0.250050 Ga\n0.786009 0.200616 0.179181 Ga\n0.751952 0.814201 0.204243 Ga\n0.045406 0.928660 0.801302 Ga\n0.284967 0.628523 0.708405 Ga\n0.315207 0.042137 0.321172 Ga\n0.064282 0.538115 0.060390 Ga\n0.232354 0.892269 0.465698 Ga\n0.575011 0.831505 0.446248 Ga\n0.734536 0.581933 0.520278 Ga\n0.988294 0.785926 0.050804 Ga\n0.246970 0.091470 0.660516 N\n0.698416 0.308301 0.597779 N\n0.531670 0.207301 0.434783 N\n0.975019 0.974782 0.394251 N\n0.183754 0.555156 0.413475 N\n0.170346 0.944137 0.905030 N\n0.803684 0.463315 0.163315 N\n0.206492 0.682407 0.842123 N\n0.742623 0.795867 0.384483 N\n0.382166 0.581899 0.013598 N\n0.996959 0.604026 0.613524 N\n0.671422 0.849203 0.782747 N\n0.070211 0.297837 0.572349 N\n0.604572 0.390549 0.975917 N\n0.186977 0.395338 0.811219 N\n0.156651 0.355339 0.583770 N\n0.537766 0.028493 0.931644 N\n0.615732 0.024106 0.578465 N\n0.922698 0.414887 0.407953 N\n0.639224 0.701814 0.121441 N\n0.269504 0.359591 0.031795 N\n0.224330 0.429976 0.082132 N\n0.428862 0.238902 0.812402 N\n0.879888 0.721294 0.157772 N\n0.093422 0.823590 0.549966 N\n0.243073 0.953268 0.173797 N\n0.599433 0.601944 0.605288 N\n0.538594 0.899881 0.316165 N\n0.013751 0.866644 0.631581 N\n0.516512 0.399357 0.159484 N\n0.560126 0.059561 0.650586 N\n0.988609 0.950390 0.101109 N\n0.820143 0.785488 0.451494 N\n0.941885 0.178549 0.251276 N\n0.466071 0.075877 0.188174 N\n0.132574 0.332811 0.304270 N\n0.368920 0.675942 0.026290 N\n0.563581 0.393718 0.066808 N\n0.642041 0.312222 0.675430 N\n0.844785 0.225018 0.019306 N\n0.762061 0.973820 0.179030 N\n0.167263 0.104134 0.709913 N\n0.458107 0.186281 0.491420 N\n0.098257 0.368839 0.832825 N\n0.435229 0.453334 0.381202 N\n0.385820 0.505867 0.660326 N\n0.434954 0.763320 0.720693 N\n0.613345 0.082786 0.968491 N\n0.384048 0.187080 0.874881 N\n0.765469 0.622145 0.923440 N\n",
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{
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{
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"structure_string": "Ac6 Cd2\n1.0\n3.863506 -6.691789 0.000000\n3.863506 6.691789 0.000000\n0.000000 0.000000 6.019332\nAc Cd\n6 2\ndirect\n0.173860 0.347720 0.250000 Ac\n0.652280 0.826140 0.250000 Ac\n0.173860 0.826140 0.250000 Ac\n0.826140 0.652280 0.750000 Ac\n0.347720 0.173860 0.750000 Ac\n0.826140 0.173860 0.750000 Ac\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n",
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]
}