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{
"id": "mp-17092",
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"structure_string": "Sc6 Sn6 Pd6\n1.0\n3.771795 -6.532940 0.000000\n3.771795 6.532940 0.000000\n0.000000 0.000000 7.246529\nSc Sn Pd\n6 6 6\ndirect\n0.400882 0.014980 0.250000 Sc\n0.614098 0.599118 0.250000 Sc\n0.985020 0.385902 0.250000 Sc\n0.385902 0.985020 0.750000 Sc\n0.599118 0.614098 0.750000 Sc\n0.014980 0.400882 0.750000 Sc\n0.725122 0.000000 0.000000 Sn\n0.274878 0.274878 0.500000 Sn\n0.000000 0.725122 0.500000 Sn\n0.000000 0.725122 0.000000 Sn\n0.274878 0.274878 0.000000 Sn\n0.725122 0.000000 0.500000 Sn\n0.333333 0.666667 0.032206 Pd\n0.333333 0.666667 0.467794 Pd\n0.666667 0.333333 0.967794 Pd\n0.666667 0.333333 0.532206 Pd\n0.000000 0.000000 0.250000 Pd\n0.000000 0.000000 0.750000 Pd\n",
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{
"id": "mp-861500",
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"structure_string": "Pr2 B4 H2 F20\n1.0\n5.932165 0.000000 0.000000\n0.000000 7.140339 0.000000\n0.000000 3.366646 8.196489\nPr B H F\n2 4 2 20\ndirect\n0.750000 0.231835 0.342127 Pr\n0.250000 0.768165 0.657873 Pr\n0.250000 0.252320 0.048864 B\n0.250000 0.581745 0.306084 B\n0.750000 0.418255 0.693916 B\n0.750000 0.747680 0.951136 B\n0.750000 0.929346 0.149730 H\n0.250000 0.070654 0.850270 H\n0.250000 0.075564 0.013178 F\n0.750000 0.575613 0.098255 F\n0.250000 0.664717 0.138992 F\n0.444131 0.253007 0.141912 F\n0.055869 0.253007 0.141912 F\n0.750000 0.935240 0.258402 F\n0.250000 0.729425 0.377607 F\n0.445312 0.454709 0.365827 F\n0.054688 0.454709 0.365827 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.945312 0.545291 0.634173 F\n0.554688 0.545291 0.634173 F\n0.750000 0.270575 0.622393 F\n0.250000 0.064760 0.741598 F\n0.944131 0.746993 0.858088 F\n0.555869 0.746993 0.858088 F\n0.750000 0.335283 0.861008 F\n0.250000 0.424387 0.901745 F\n0.750000 0.924436 0.986822 F\n",
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},
{
"id": "mp-1233477",
"created_at": "2022-09-04T14:42:03.523153Z",
"structure_string": "Mg1 Co6 O2 F10\n1.0\n5.005186 -0.084928 -0.087216\n-0.087288 4.930175 -0.049380\n-0.166724 -0.097156 9.274137\nMg Co O F\n1 6 2 10\ndirect\n0.001660 0.500564 0.161951 Mg\n0.958670 0.966425 0.979693 Co\n0.043339 0.034905 0.345137 Co\n0.999753 0.998338 0.662376 Co\n0.501262 0.502798 0.162780 Co\n0.512159 0.511929 0.836423 Co\n0.487843 0.485745 0.489003 Co\n0.274864 0.361288 0.312674 O\n0.727825 0.639634 0.011828 O\n0.217158 0.836771 0.156038 F\n0.208084 0.816825 0.829970 F\n0.231814 0.831158 0.503232 F\n0.225310 0.328966 0.004234 F\n0.289440 0.321369 0.667484 F\n0.709489 0.676142 0.657743 F\n0.778824 0.672814 0.320265 F\n0.785830 0.165116 0.168405 F\n0.768382 0.167432 0.821532 F\n0.792185 0.181783 0.494945 F\n",
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{
"id": "mp-1176971",
"created_at": "2022-09-04T14:42:04.261758Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n6.630459 7.255335 0.000000\n-6.630459 7.255335 0.000000\n0.000000 0.751633 9.863496\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.987981 0.510660 0.239895 Li\n0.023311 0.249441 0.384732 Li\n0.786103 0.566451 0.462200 Li\n0.769732 0.735726 0.177042 Li\n0.750559 0.976689 0.615268 Li\n0.630160 0.748659 0.813243 Li\n0.489340 0.012019 0.760105 Li\n0.433549 0.213897 0.537800 Li\n0.297344 0.924687 0.982865 Li\n0.264274 0.230268 0.822958 Li\n0.251341 0.369840 0.186757 Li\n0.075313 0.702656 0.017135 Li\n0.249514 0.976722 0.278563 Mn\n0.023278 0.750486 0.721437 Mn\n0.969993 0.249872 0.782735 V\n0.747514 0.252486 0.000000 V\n0.750128 0.030007 0.217265 V\n0.534758 0.465242 0.000000 V\n0.466478 0.533522 0.500000 V\n0.253590 0.746410 0.500000 V\n0.947495 0.817505 0.401947 P\n0.827569 0.947849 0.907821 P\n0.839822 0.551592 0.929445 P\n0.680217 0.342938 0.302908 P\n0.657062 0.319783 0.697092 P\n0.556961 0.836326 0.430270 P\n0.448408 0.160178 0.070555 P\n0.352829 0.684055 0.804801 P\n0.315945 0.647171 0.195199 P\n0.163674 0.443039 0.569730 P\n0.182495 0.052505 0.598053 P\n0.052151 0.172431 0.092179 P\n0.970248 0.876404 0.882132 O\n0.904413 0.824869 0.553321 O\n0.886354 0.611964 0.792405 O\n0.896801 0.954304 0.327637 O\n0.898132 0.692869 0.337029 O\n0.871472 0.390017 0.927314 O\n0.903349 0.601629 0.054207 O\n0.890322 0.167097 0.120932 O\n0.832903 0.109678 0.879068 O\n0.814023 0.313311 0.670946 O\n0.784367 0.911341 0.059674 O\n0.805751 0.406537 0.346044 O\n0.719358 0.911594 0.812689 O\n0.679158 0.588003 0.944066 O\n0.686689 0.185977 0.329054 O\n0.668988 0.379018 0.141191 O\n0.626556 0.880511 0.293073 O\n0.594069 0.908964 0.552342 O\n0.620982 0.331012 0.858809 O\n0.599103 0.457237 0.632255 O\n0.594114 0.675990 0.447442 O\n0.593463 0.194249 0.653956 O\n0.609983 0.128528 0.072686 O\n0.542763 0.400897 0.367745 O\n0.428744 0.805871 0.840270 O\n0.454866 0.580786 0.136754 O\n0.419214 0.545134 0.863246 O\n0.394761 0.863799 0.421093 O\n0.376010 0.670307 0.642769 O\n0.398371 0.096651 0.945793 O\n0.411997 0.320842 0.055934 O\n0.388036 0.113646 0.207595 O\n0.329693 0.623990 0.357231 O\n0.301307 0.798799 0.151624 O\n0.324010 0.405886 0.552558 O\n0.307131 0.101868 0.662971 O\n0.201201 0.698693 0.848376 O\n0.187125 0.889855 0.619692 O\n0.194129 0.571256 0.159730 O\n0.175131 0.095587 0.446679 O\n0.136201 0.605239 0.578907 O\n0.110145 0.812875 0.380308 O\n0.119489 0.373444 0.706927 O\n0.088659 0.215633 0.940326 O\n0.091036 0.405931 0.447658 O\n0.123596 0.029752 0.117868 O\n0.088406 0.280642 0.187311 O\n0.045696 0.103199 0.672363 O\n",
"nsites": 80,
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"elements": [
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],
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"density": 2.8669925829242677,
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"volume": 948.990647184777,
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"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"spacegroup": 5
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{
"id": "mp-571016",
"created_at": "2022-09-04T14:42:01.308158Z",
"structure_string": "K2 Sn2 Se4\n1.0\n-4.120312 4.120312 3.598762\n4.120312 -4.120312 3.598762\n4.120312 4.120312 -3.598762\nK Sn Se\n2 2 4\ndirect\n0.704736 0.704736 0.000000 K\n0.204736 0.204736 0.000000 K\n0.186408 0.686408 0.500000 Sn\n0.686408 0.186408 0.500000 Sn\n0.257330 0.757330 0.138803 Se\n0.618527 0.118527 0.861197 Se\n0.118527 0.257330 0.500000 Se\n0.757330 0.618527 0.500000 Se\n",
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"formula_full": "K2 Sn2 Se4",
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{
"id": "mp-30432",
"created_at": "2022-09-04T14:42:03.452362Z",
"structure_string": "Ba2 Rh6 Pb12\n1.0\n4.206038 -13.768929 0.000000\n4.206038 13.768929 0.000000\n0.000000 0.000000 4.601793\nBa Rh Pb\n2 6 12\ndirect\n0.589272 0.410728 0.250000 Ba\n0.410728 0.589272 0.750000 Ba\n0.971448 0.406275 0.750000 Rh\n0.963025 0.036975 0.750000 Rh\n0.028552 0.593725 0.250000 Rh\n0.036975 0.963025 0.250000 Rh\n0.406275 0.971448 0.250000 Rh\n0.593725 0.028552 0.750000 Rh\n0.752979 0.845174 0.250000 Pb\n0.845174 0.752979 0.750000 Pb\n0.154826 0.247021 0.250000 Pb\n0.526066 0.869763 0.250000 Pb\n0.130237 0.473934 0.250000 Pb\n0.869763 0.526066 0.750000 Pb\n0.247021 0.154826 0.750000 Pb\n0.749871 0.250129 0.250000 Pb\n0.250129 0.749871 0.750000 Pb\n0.134762 0.865238 0.250000 Pb\n0.865238 0.134762 0.750000 Pb\n0.473934 0.130237 0.750000 Pb\n",
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{
"id": "mp-1080067",
"created_at": "2022-09-04T14:42:03.456991Z",
"structure_string": "Er2 Co2 Ge4\n1.0\n2.050753 -8.233230 0.000000\n2.050753 8.233230 0.000000\n0.000000 0.000000 4.162614\nEr Co Ge\n2 2 4\ndirect\n0.891643 0.108357 0.250000 Er\n0.108357 0.891643 0.750000 Er\n0.681140 0.318860 0.250000 Co\n0.318860 0.681140 0.750000 Co\n0.544610 0.455390 0.250000 Ge\n0.455390 0.544610 0.750000 Ge\n0.251417 0.748583 0.250000 Ge\n0.748583 0.251417 0.750000 Ge\n",
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{
"id": "mp-623463",
"created_at": "2022-09-04T14:42:03.459937Z",
"structure_string": "Tb4 Mn20 Ge12\n1.0\n4.119891 0.000000 0.000000\n0.000000 12.191259 0.000000\n0.000000 0.000000 13.988881\nTb Mn Ge\n4 20 12\ndirect\n0.750000 0.412450 0.293247 Tb\n0.250000 0.587550 0.706753 Tb\n0.250000 0.912450 0.206753 Tb\n0.750000 0.087550 0.793247 Tb\n0.750000 0.965748 0.563425 Mn\n0.750000 0.117296 0.313103 Mn\n0.250000 0.293479 0.684841 Mn\n0.750000 0.382704 0.813103 Mn\n0.250000 0.410587 0.498007 Mn\n0.250000 0.617296 0.186897 Mn\n0.750000 0.793479 0.815159 Mn\n0.250000 0.206521 0.184841 Mn\n0.250000 0.089413 0.998007 Mn\n0.750000 0.534252 0.063425 Mn\n0.250000 0.882704 0.686897 Mn\n0.750000 0.290587 0.019434 Mn\n0.750000 0.706521 0.315159 Mn\n0.250000 0.790587 0.480566 Mn\n0.750000 0.910587 0.001993 Mn\n0.750000 0.209413 0.519434 Mn\n0.250000 0.465748 0.936575 Mn\n0.750000 0.589413 0.501993 Mn\n0.250000 0.709413 0.980566 Mn\n0.250000 0.034252 0.436575 Mn\n0.750000 0.410845 0.619502 Ge\n0.250000 0.589155 0.380498 Ge\n0.250000 0.910845 0.880498 Ge\n0.750000 0.909618 0.379937 Ge\n0.250000 0.090382 0.620063 Ge\n0.250000 0.240122 0.378053 Ge\n0.750000 0.590382 0.879937 Ge\n0.750000 0.740122 0.121947 Ge\n0.750000 0.759878 0.621947 Ge\n0.750000 0.089155 0.119502 Ge\n0.250000 0.409618 0.120063 Ge\n0.250000 0.259878 0.878053 Ge\n",
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{
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