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{
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{
"id": "mp-1018762",
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"structure_string": "Li3 Ce1 Bi2\n1.0\n2.362601 -4.092144 0.000000\n2.362601 4.092144 0.000000\n0.000000 0.000000 7.501720\nLi Ce Bi\n3 1 2\ndirect\n0.666667 0.333333 0.649340 Li\n0.333333 0.666667 0.350660 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.252125 Bi\n0.333333 0.666667 0.747875 Bi\n",
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{
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},
{
"id": "mp-1026801",
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"structure_string": "Li1 Mg14 B1\n1.0\n6.219886 0.000000 -0.000000\n-3.109943 5.386579 0.000000\n-0.000000 -0.000000 10.158131\nLi Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Li\n0.169109 0.834554 0.125000 Mg\n0.162859 0.831429 0.625000 Mg\n0.665446 0.330891 0.125000 Mg\n0.668571 0.337141 0.625000 Mg\n0.665446 0.834554 0.125000 Mg\n0.668571 0.831429 0.625000 Mg\n0.327904 0.172096 0.383853 Mg\n0.327904 0.172096 0.866147 Mg\n0.327904 0.655810 0.383853 Mg\n0.327904 0.655810 0.866147 Mg\n0.844190 0.172096 0.383853 Mg\n0.844190 0.172096 0.866147 Mg\n0.833333 0.666667 0.371271 Mg\n0.833333 0.666667 0.878729 Mg\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "B-Li-Mg",
"density": 1.7468255843110403,
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"volume": 340.33707946677663,
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"formula_full": "Li1 Mg14 B1",
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"updated_at": "2021-11-28T01:36:56.206000Z",
"spacegroup": 187
},
{
"id": "mp-532413",
"created_at": "2022-09-04T14:45:27.419074Z",
"structure_string": "Li20 B28 S52\n1.0\n10.958110 8.795670 0.000000\n-10.958110 8.795670 0.000000\n0.000000 8.788717 8.805805\nLi B S\n20 28 52\ndirect\n0.966775 0.684036 0.259617 Li\n0.684036 0.966775 0.759617 Li\n0.009493 0.022157 0.531312 Li\n0.321069 0.885683 0.892703 Li\n0.885683 0.321069 0.392703 Li\n0.442814 0.223332 0.590372 Li\n0.223332 0.442814 0.090372 Li\n0.782943 0.718514 0.103068 Li\n0.718514 0.782943 0.603068 Li\n0.545301 0.051508 0.433831 Li\n0.051508 0.545301 0.933831 Li\n0.298012 0.226100 0.386539 Li\n0.226100 0.298012 0.886539 Li\n0.778327 0.554060 0.917695 Li\n0.554060 0.778327 0.417695 Li\n0.112837 0.685058 0.585106 Li\n0.685058 0.112837 0.085106 Li\n0.301773 0.028570 0.253513 Li\n0.028570 0.301773 0.753513 Li\n0.022157 0.009493 0.031312 Li\n0.252961 0.306431 0.574728 B\n0.544551 0.792516 0.139905 B\n0.275304 0.726632 0.247859 B\n0.476011 0.524904 0.250250 B\n0.206898 0.455938 0.360119 B\n0.694454 0.747334 0.925213 B\n0.683725 0.433058 0.523078 B\n0.433058 0.683725 0.023078 B\n0.619748 0.173061 0.633131 B\n0.173061 0.619748 0.133131 B\n0.165955 0.015323 0.739402 B\n0.091487 0.745736 0.923764 B\n0.745736 0.091487 0.423764 B\n0.015323 0.165955 0.239402 B\n0.985163 0.831612 0.759450 B\n0.254969 0.906023 0.579620 B\n0.906023 0.254969 0.079620 B\n0.831612 0.985163 0.259450 B\n0.828817 0.380975 0.866437 B\n0.380975 0.828817 0.366437 B\n0.568492 0.315383 0.976751 B\n0.315383 0.568492 0.476751 B\n0.306431 0.252961 0.074728 B\n0.792516 0.544551 0.639905 B\n0.524904 0.476011 0.750250 B\n0.726632 0.275304 0.747859 B\n0.455938 0.206898 0.860119 B\n0.747334 0.694454 0.425213 B\n0.483088 0.628993 0.312604 S\n0.204677 0.560193 0.423059 S\n0.709949 0.860717 0.973171 S\n0.140162 0.290635 0.526066 S\n0.441562 0.795239 0.075126 S\n0.177016 0.730910 0.182576 S\n0.730910 0.177016 0.682576 S\n0.371201 0.516575 0.188506 S\n0.451350 0.103558 0.800528 S\n0.103558 0.451350 0.300528 S\n0.748381 0.596538 0.355119 S\n0.596538 0.748381 0.855119 S\n0.681898 0.333863 0.457065 S\n0.204922 0.152047 0.748241 S\n0.333863 0.681898 0.957065 S\n0.130354 0.885046 0.925534 S\n0.045710 0.598868 0.106152 S\n0.598868 0.045710 0.606152 S\n0.885046 0.130354 0.425534 S\n0.152047 0.204922 0.248241 S\n0.415841 0.362245 0.410633 S\n0.021681 0.976158 0.748612 S\n0.362245 0.415841 0.910633 S\n0.942087 0.690646 0.940842 S\n0.308519 0.056695 0.559837 S\n0.226772 0.772848 0.753407 S\n0.772848 0.226772 0.253407 S\n0.690646 0.942087 0.440842 S\n0.056695 0.308519 0.059837 S\n0.639327 0.585848 0.090871 S\n0.976158 0.021681 0.248612 S\n0.585848 0.639327 0.590871 S\n0.847826 0.794977 0.750337 S\n0.117562 0.867133 0.574330 S\n0.400291 0.953923 0.394973 S\n0.953923 0.400291 0.894973 S\n0.867133 0.117562 0.074330 S\n0.667138 0.315515 0.043881 S\n0.794977 0.847826 0.250337 S\n0.315515 0.667138 0.543881 S\n0.404584 0.249829 0.145326 S\n0.249829 0.404584 0.645326 S\n0.895601 0.549037 0.701871 S\n0.549037 0.895601 0.201871 S\n0.628993 0.483088 0.812604 S\n0.273897 0.827517 0.309429 S\n0.827517 0.273897 0.809429 S\n0.560193 0.204677 0.923059 S\n0.860717 0.709949 0.473171 S\n0.290635 0.140162 0.026066 S\n0.795239 0.441562 0.575126 S\n0.516575 0.371201 0.688506 S\n",
"nsites": 100,
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"elements": [
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"B",
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],
"chemical_system": "B-Li-S",
"density": 2.0630183431448637,
"density_atomic": 0.05891099496599067,
"volume": 1697.4759984571645,
"volume_molar": 10.222439399430588,
"formula_full": "Li20 B28 S52",
"formula_reduced": "Li5B7S13",
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},
{
"id": "mp-1219347",
"created_at": "2022-09-04T14:45:27.419651Z",
"structure_string": "Si1 Pb7 Cl2 O8\n1.0\n2.859015 -11.461274 0.000000\n2.859015 11.461274 0.000000\n0.000000 0.000000 5.716984\nSi Pb Cl O\n1 7 2 8\ndirect\n0.143899 0.856101 0.500000 Si\n0.910022 0.089978 0.000000 Pb\n0.409586 0.590414 0.500000 Pb\n0.583316 0.416684 0.500000 Pb\n0.083319 0.916681 0.000000 Pb\n0.689983 0.310017 0.000000 Pb\n0.304918 0.695082 0.000000 Pb\n0.804793 0.195207 0.500000 Pb\n0.528006 0.471994 0.000000 Cl\n0.032394 0.967606 0.500000 Cl\n0.606299 0.894756 0.750228 O\n0.105244 0.393701 0.249772 O\n0.105244 0.393701 0.750228 O\n0.606299 0.894756 0.249772 O\n0.931399 0.638059 0.715382 O\n0.361941 0.068601 0.284618 O\n0.361941 0.068601 0.715382 O\n0.931399 0.638059 0.284618 O\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.04804256690298873,
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"formula_full": "Si1 Pb7 Cl2 O8",
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{
"id": "mp-723082",
"created_at": "2022-09-04T14:45:27.422914Z",
"structure_string": "Na5 Te2 H36 Au1 O28\n1.0\n5.994539 0.000000 0.000000\n-0.425701 9.006190 0.000000\n-1.881909 -1.904292 12.510433\nNa Te H Au O\n5 2 36 1 28\ndirect\n0.000000 0.000000 0.500000 Na\n0.652498 0.669806 0.045718 Na\n0.347502 0.330194 0.954282 Na\n0.671345 0.773691 0.318549 Na\n0.328655 0.226309 0.681451 Na\n0.816467 0.755262 0.805812 Te\n0.183533 0.244738 0.194188 Te\n0.145653 0.718196 0.701071 H\n0.854347 0.281804 0.298929 H\n0.399206 0.768726 0.834047 H\n0.600794 0.231274 0.165953 H\n0.112910 0.486261 0.790504 H\n0.887090 0.513739 0.209496 H\n0.375918 0.527843 0.817461 H\n0.624082 0.472157 0.182539 H\n0.002401 0.683951 0.520287 H\n0.997599 0.316049 0.479713 H\n0.791636 0.750484 0.566839 H\n0.208364 0.249516 0.433161 H\n0.434747 0.659988 0.617009 H\n0.565253 0.340012 0.382991 H\n0.284525 0.503637 0.578173 H\n0.715475 0.496363 0.421827 H\n0.834739 0.194015 0.661995 H\n0.165261 0.805985 0.338005 H\n0.902588 0.066696 0.733140 H\n0.097412 0.933304 0.266860 H\n0.555067 0.059029 0.850534 H\n0.444933 0.940971 0.149466 H\n0.297339 0.011807 0.818514 H\n0.702661 0.988193 0.181486 H\n0.730182 0.429218 0.689551 H\n0.269818 0.570782 0.310449 H\n0.672526 0.361717 0.564252 H\n0.327474 0.638283 0.435748 H\n0.784267 0.458141 0.891168 H\n0.215733 0.541859 0.108832 H\n0.836244 0.357332 0.983930 H\n0.163756 0.642668 0.016070 H\n0.510034 0.922752 0.620241 H\n0.489966 0.077248 0.379759 H\n0.267822 0.915127 0.639337 H\n0.732178 0.084873 0.360663 H\n0.000000 0.000000 0.000000 Au\n0.122506 0.802566 0.756223 O\n0.877494 0.197434 0.243777 O\n0.653616 0.769022 0.669664 O\n0.346384 0.230978 0.330336 O\n0.857884 0.547746 0.787366 O\n0.142116 0.452254 0.212634 O\n0.530240 0.716121 0.865394 O\n0.469760 0.283879 0.134606 O\n0.973281 0.774174 0.956769 O\n0.026719 0.225826 0.043231 O\n0.822423 0.978866 0.849653 O\n0.177577 0.021134 0.150347 O\n0.263686 0.440762 0.794566 O\n0.736314 0.559238 0.205434 O\n0.868580 0.739252 0.500941 O\n0.131420 0.260748 0.499059 O\n0.285826 0.610729 0.573142 O\n0.714174 0.389271 0.426858 O\n0.942586 0.114420 0.672674 O\n0.057414 0.885580 0.327326 O\n0.402774 0.100375 0.843986 O\n0.597226 0.899625 0.156014 O\n0.661271 0.338196 0.636633 O\n0.338729 0.661804 0.363367 O\n0.722025 0.419136 0.950890 O\n0.277975 0.580864 0.049110 O\n0.364994 0.969626 0.600454 O\n0.635006 0.030374 0.399546 O\n",
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"formula_full": "Na5 Te2 H36 Au1 O28",
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{
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"structure_string": "Cu2 P2 O8\n1.0\n0.000000 4.787779 5.425491\n2.729800 0.000000 5.425491\n2.729800 4.787779 0.000000\nCu P O\n2 2 8\ndirect\n0.026006 0.473994 0.026006 Cu\n0.776006 0.223994 0.776006 Cu\n0.389234 0.110766 0.389234 P\n0.139234 0.860766 0.139234 P\n0.003572 0.177981 0.060983 O\n0.604182 0.759542 0.356183 O\n0.356183 0.280092 0.604182 O\n0.969908 0.893817 0.490458 O\n0.490458 0.645818 0.969908 O\n0.072019 0.246428 0.492537 O\n0.060983 0.757464 0.003572 O\n0.492536 0.189017 0.072019 O\n",
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{
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"structure_string": "Co6 Te2 O16\n1.0\n1.667065 -2.551951 -4.951157\n1.628110 -5.838435 0.109971\n-10.577574 -0.195581 -0.036597\nCo Te O\n6 2 16\ndirect\n0.999997 0.499997 0.500002 Co\n0.500003 0.999995 0.500001 Co\n0.500018 0.499977 0.999998 Co\n0.500021 0.000001 0.999997 Co\n0.999994 0.500013 0.000005 Co\n0.000000 0.000005 0.500002 Co\n0.999930 0.000018 0.999994 Te\n0.500022 0.499999 0.500003 Te\n0.132272 0.153667 0.420789 O\n0.625081 0.654573 0.918316 O\n0.374929 0.345420 0.081681 O\n0.867732 0.846330 0.579214 O\n0.647205 0.608693 0.395051 O\n0.141820 0.123458 0.897875 O\n0.138153 0.606426 0.394497 O\n0.638249 0.104314 0.894169 O\n0.633538 0.142962 0.408870 O\n0.139553 0.650307 0.905393 O\n0.860469 0.349694 0.094614 O\n0.366464 0.857036 0.591131 O\n0.361713 0.895702 0.105798 O\n0.861850 0.393573 0.605509 O\n0.858198 0.876528 0.102143 O\n0.352791 0.391311 0.604949 O\n",
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