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{
"id": "mp-542426",
"created_at": "2022-09-04T14:42:25.235316Z",
"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.084681 0.000000 0.000000\n0.000000 7.210203 0.000000\n0.000000 0.000000 8.511795\nCu Hg S I\n4 4 4 4\ndirect\n0.296116 0.081362 0.360279 Cu\n0.796116 0.918638 0.639721 Cu\n0.796116 0.418638 0.860279 Cu\n0.296116 0.581362 0.139721 Cu\n0.184613 0.032016 0.951793 Hg\n0.684613 0.967984 0.048207 Hg\n0.684613 0.467984 0.451793 Hg\n0.184613 0.532016 0.548207 Hg\n0.875643 0.113015 0.840796 S\n0.375643 0.886985 0.159204 S\n0.375643 0.386985 0.340796 S\n0.875643 0.613015 0.659204 S\n0.410098 0.913883 0.622254 I\n0.910098 0.086117 0.377746 I\n0.910098 0.586117 0.122254 I\n0.410098 0.413883 0.877746 I\n",
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{
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"structure_string": "K12 Nb4 Se16\n1.0\n9.770728 0.000000 0.000000\n0.000000 9.909302 0.000000\n0.000000 0.000000 11.341905\nK Nb Se\n12 4 16\ndirect\n0.372129 0.583204 0.750000 K\n0.127871 0.083204 0.250000 K\n0.627871 0.416796 0.250000 K\n0.872129 0.916796 0.750000 K\n0.940804 0.708307 0.451879 K\n0.440804 0.791693 0.048121 K\n0.559196 0.208307 0.548121 K\n0.059196 0.291693 0.951879 K\n0.059196 0.291693 0.548121 K\n0.559196 0.208307 0.951879 K\n0.440804 0.791693 0.451879 K\n0.940804 0.708307 0.048121 K\n0.213130 0.513628 0.250000 Nb\n0.713130 0.986372 0.250000 Nb\n0.286870 0.013628 0.750000 Nb\n0.786870 0.486372 0.750000 Nb\n0.335278 0.447618 0.426295 Se\n0.664722 0.552382 0.926295 Se\n0.835278 0.052382 0.073705 Se\n0.164722 0.947618 0.573705 Se\n0.013249 0.587192 0.750000 Se\n0.513249 0.912808 0.750000 Se\n0.486751 0.087192 0.250000 Se\n0.986751 0.412808 0.250000 Se\n0.810813 0.242890 0.750000 Se\n0.310813 0.257110 0.750000 Se\n0.689187 0.742890 0.250000 Se\n0.189187 0.757110 0.250000 Se\n0.664722 0.552382 0.573705 Se\n0.164722 0.947618 0.926295 Se\n0.835278 0.052382 0.426295 Se\n0.335278 0.447618 0.073705 Se\n",
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{
"id": "mp-30953",
"created_at": "2022-09-04T14:42:12.041900Z",
"structure_string": "Ga4 Br12\n1.0\n6.236906 0.000000 0.000000\n0.000000 9.518657 0.000000\n0.000000 3.716984 11.202491\nGa Br\n4 12\ndirect\n0.003663 0.190739 0.953769 Ga\n0.503663 0.809261 0.546231 Ga\n0.996337 0.809261 0.046231 Ga\n0.496337 0.190739 0.453769 Ga\n0.782102 0.319284 0.801752 Br\n0.282102 0.680716 0.698248 Br\n0.217898 0.680716 0.198248 Br\n0.717898 0.319284 0.301752 Br\n0.230943 0.309279 0.046032 Br\n0.730943 0.690721 0.453968 Br\n0.769057 0.690721 0.953968 Br\n0.269057 0.309279 0.546032 Br\n0.795260 0.999757 0.108475 Br\n0.295260 0.000243 0.391525 Br\n0.204740 0.000243 0.891525 Br\n0.704740 0.999757 0.608475 Br\n",
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{
"id": "mp-1185974",
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"structure_string": "Mg2 Pb6\n1.0\n3.335227 -5.776783 0.000000\n3.335227 5.776783 0.000000\n0.000000 0.000000 6.139337\nMg Pb\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.168334 0.336669 0.250000 Pb\n0.168334 0.831666 0.250000 Pb\n0.663331 0.831666 0.250000 Pb\n0.336669 0.168334 0.750000 Pb\n0.831666 0.168334 0.750000 Pb\n0.831666 0.663331 0.750000 Pb\n",
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{
"id": "mp-683897",
"created_at": "2022-09-04T14:39:29.235482Z",
"structure_string": "Pr6 Sn26 Rh8\n1.0\n9.845528 0.000000 0.000000\n0.000000 9.845528 0.000000\n0.000000 0.000000 9.845528\nPr Sn Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Pr\n0.250000 0.000000 0.500000 Pr\n0.000000 0.500000 0.250000 Pr\n0.750000 0.000000 0.500000 Pr\n0.500000 0.250000 0.000000 Pr\n0.500000 0.750000 0.000000 Pr\n0.346598 0.500000 0.807162 Sn\n0.000000 0.846598 0.692838 Sn\n0.307162 0.000000 0.153402 Sn\n0.153402 0.307162 0.000000 Sn\n0.692838 0.000000 0.846598 Sn\n0.000000 0.000000 0.000000 Sn\n0.653402 0.500000 0.807162 Sn\n0.192838 0.653402 0.500000 Sn\n0.807162 0.653402 0.500000 Sn\n0.000000 0.846598 0.307162 Sn\n0.500000 0.807162 0.346598 Sn\n0.346598 0.500000 0.192838 Sn\n0.846598 0.692838 0.000000 Sn\n0.307162 0.000000 0.846598 Sn\n0.500000 0.192838 0.653402 Sn\n0.500000 0.192838 0.346598 Sn\n0.846598 0.307162 0.000000 Sn\n0.653402 0.500000 0.192838 Sn\n0.807162 0.346598 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.192838 0.346598 0.500000 Sn\n0.000000 0.153402 0.307162 Sn\n0.000000 0.153402 0.692838 Sn\n0.500000 0.807162 0.653402 Sn\n0.692838 0.000000 0.153402 Sn\n0.153402 0.692838 0.000000 Sn\n0.750000 0.750000 0.250000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n",
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"volume": 954.3705620146326,
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"formula_full": "Pr6 Sn26 Rh8",
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{
"id": "mp-546711",
"created_at": "2022-09-04T14:39:34.050681Z",
"structure_string": "Cs1 Cl1 O4\n1.0\n0.000000 4.052803 4.052803\n4.052803 0.000000 4.052803\n4.052803 4.052803 0.000000\nCs Cl O\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cl\n0.354416 0.354416 0.936752 O\n0.354416 0.936752 0.354416 O\n0.936752 0.354416 0.354416 O\n0.354416 0.354416 0.354416 O\n",
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"density": 2.898054901103929,
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"formula_full": "Cs1 Cl1 O4",
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{
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"created_at": "2022-09-04T14:43:10.132320Z",
"structure_string": "Ho3 Sn3 Rh3\n1.0\n3.808863 -6.597144 0.000000\n3.808863 6.597144 0.000000\n0.000000 0.000000 3.778610\nHo Sn Rh\n3 3 3\ndirect\n0.000000 0.404857 0.000000 Ho\n0.595143 0.595143 0.000000 Ho\n0.404857 0.000000 0.000000 Ho\n0.263925 0.263925 0.500000 Sn\n0.000000 0.736075 0.500000 Sn\n0.736075 0.000000 0.500000 Sn\n0.666667 0.333333 0.500000 Rh\n0.333333 0.666667 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1206410",
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"structure_string": "Pb4 I2 O2 F2\n1.0\n3.002799 -6.886942 0.000000\n3.002799 6.886942 0.000000\n0.000000 0.000000 6.028552\nPb I O F\n4 2 2 2\ndirect\n0.407488 0.592512 0.219113 Pb\n0.592512 0.407488 0.780887 Pb\n0.092512 0.907488 0.219113 Pb\n0.907488 0.092512 0.780887 Pb\n0.750000 0.250000 0.241279 I\n0.250000 0.750000 0.758721 I\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
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{
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"structure_string": "Ho4 Cd2 Se8\n1.0\n0.000000 5.887452 5.887452\n5.887452 0.000000 5.887452\n5.887452 5.887452 0.000000\nHo Cd Se\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Ho\n0.625000 0.125000 0.625000 Ho\n0.125000 0.625000 0.625000 Ho\n0.625000 0.625000 0.625000 Ho\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.382261 0.853216 0.382261 Se\n0.867739 0.867739 0.396784 Se\n0.867739 0.867739 0.867739 Se\n0.396784 0.867739 0.867739 Se\n0.382261 0.382261 0.382261 Se\n0.853216 0.382261 0.382261 Se\n0.867739 0.396784 0.867739 Se\n0.382261 0.382261 0.853216 Se\n",
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{
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{
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"structure_string": "Cs2 Tm1 Ag1 Cl6\n1.0\n0.000000 5.401103 5.401103\n5.401103 0.000000 5.401103\n5.401103 5.401103 0.000000\nCs Tm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Ag\n0.758248 0.241752 0.241752 Cl\n0.241752 0.241752 0.758248 Cl\n0.241752 0.758248 0.758248 Cl\n0.241752 0.758248 0.241752 Cl\n0.758248 0.241752 0.758248 Cl\n0.758248 0.758248 0.241752 Cl\n",
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"formula_full": "Cs2 Tm1 Ag1 Cl6",
"formula_reduced": "Cs2TmAgCl6",
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"updated_at": "2021-11-28T01:38:27.206000Z",
"spacegroup": 225
},
{
"id": "mp-1224251",
"created_at": "2022-09-04T14:44:00.235232Z",
"structure_string": "K6 Er14 S24\n1.0\n3.963797 0.000000 0.000000\n0.000000 11.899500 0.000000\n0.000000 0.000000 24.734789\nK Er S\n6 14 24\ndirect\n0.500000 0.551911 0.134872 K\n0.500000 0.945364 0.864133 K\n0.000000 0.054636 0.364133 K\n0.000000 0.448089 0.634872 K\n0.500000 0.817205 0.468473 K\n0.000000 0.182795 0.968473 K\n0.500000 0.310793 0.820318 Er\n0.500000 0.192183 0.178515 Er\n0.000000 0.807817 0.678515 Er\n0.000000 0.689207 0.320318 Er\n0.000000 0.251355 0.500186 Er\n0.500000 0.748645 0.000186 Er\n0.500000 0.479892 0.421562 Er\n0.500000 0.020237 0.580300 Er\n0.000000 0.979763 0.080300 Er\n0.000000 0.520108 0.921562 Er\n0.500000 0.645077 0.788431 Er\n0.500000 0.855481 0.210880 Er\n0.000000 0.144519 0.710880 Er\n0.000000 0.354923 0.288431 Er\n0.500000 0.520264 0.307635 S\n0.500000 0.980127 0.692597 S\n0.000000 0.019873 0.192597 S\n0.000000 0.479736 0.807635 S\n0.500000 0.655925 0.678415 S\n0.500000 0.844439 0.323070 S\n0.000000 0.155561 0.823070 S\n0.000000 0.344075 0.178415 S\n0.500000 0.402080 0.522315 S\n0.500000 0.094408 0.477117 S\n0.000000 0.905592 0.977117 S\n0.000000 0.597920 0.022315 S\n0.500000 0.364093 0.926241 S\n0.500000 0.135043 0.072604 S\n0.000000 0.864957 0.572604 S\n0.000000 0.635907 0.426241 S\n0.500000 0.294348 0.712746 S\n0.500000 0.205128 0.287308 S\n0.000000 0.794872 0.787308 S\n0.000000 0.705652 0.212746 S\n0.500000 0.670747 0.897873 S\n0.500000 0.828337 0.102308 S\n0.000000 0.171663 0.602308 S\n0.000000 0.329253 0.397873 S\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:09.322000Z",
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}
]
}