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{
"id": "mp-1204258",
"created_at": "2022-09-04T14:47:23.410793Z",
"structure_string": "La1 Ga40 Mo8\n1.0\n6.580648 -7.093975 0.000000\n6.580648 7.093975 0.000000\n-1.066697 0.000000 9.617254\nLa Ga Mo\n1 40 8\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.268947 0.637323 0.611320 Ga\n0.611320 0.268947 0.637323 Ga\n0.637323 0.611320 0.268947 Ga\n0.731053 0.362677 0.388680 Ga\n0.388680 0.731053 0.362677 Ga\n0.362677 0.388680 0.731053 Ga\n0.674212 0.776993 0.532306 Ga\n0.532306 0.674212 0.776993 Ga\n0.776993 0.532306 0.674212 Ga\n0.325788 0.223007 0.467694 Ga\n0.467694 0.325788 0.223007 Ga\n0.223007 0.467694 0.325788 Ga\n0.778592 0.073168 0.443576 Ga\n0.443576 0.778592 0.073168 Ga\n0.073168 0.443576 0.778592 Ga\n0.221408 0.926832 0.556424 Ga\n0.556424 0.221408 0.926832 Ga\n0.926832 0.556424 0.221408 Ga\n0.966158 0.786204 0.596928 Ga\n0.596928 0.966158 0.786204 Ga\n0.786204 0.596928 0.966158 Ga\n0.033842 0.213796 0.403072 Ga\n0.403072 0.033842 0.213796 Ga\n0.213796 0.403072 0.033842 Ga\n0.043342 0.711770 0.858778 Ga\n0.858778 0.043342 0.711770 Ga\n0.711770 0.858778 0.043342 Ga\n0.956658 0.288230 0.141222 Ga\n0.141222 0.956658 0.288230 Ga\n0.288230 0.141222 0.956658 Ga\n0.121915 0.172309 0.687417 Ga\n0.687417 0.121915 0.172309 Ga\n0.172309 0.687417 0.121915 Ga\n0.878085 0.827691 0.312583 Ga\n0.312583 0.878085 0.827691 Ga\n0.827691 0.312583 0.878085 Ga\n0.789410 0.789410 0.789410 Mo\n0.210590 0.210590 0.210590 Mo\n0.291333 0.610442 0.886414 Mo\n0.886414 0.291333 0.610442 Mo\n0.610442 0.886414 0.291333 Mo\n0.708667 0.389558 0.113586 Mo\n0.113586 0.708667 0.389558 Mo\n0.389558 0.113586 0.708667 Mo\n",
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"formula_full": "La1 Ga40 Mo8",
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{
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"created_at": "2022-09-04T14:47:23.413112Z",
"structure_string": "Li2 Ga1 Pt1\n1.0\n0.000000 3.036611 3.036611\n3.036611 0.000000 3.036611\n3.036611 3.036611 0.000000\nLi Ga Pt\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Pt\n",
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"formula_full": "Li2 Ga1 Pt1",
"formula_reduced": "Li2GaPt",
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"updated_at": "2021-11-28T01:38:09.099000Z",
"spacegroup": 216
},
{
"id": "mp-562774",
"created_at": "2022-09-04T14:47:23.421151Z",
"structure_string": "Co2 Sb4 S4 O8 F24\n1.0\n5.201592 0.000325 -0.138940\n-2.236396 15.733562 -1.178238\n0.034773 0.108172 8.779329\nCo Sb S O F\n2 4 4 8 24\ndirect\n0.500000 0.750000 0.500000 Co\n0.499999 0.250000 0.500000 Co\n0.968560 0.131144 0.735319 Sb\n0.968759 0.630799 0.735457 Sb\n0.031440 0.368856 0.264681 Sb\n0.031241 0.869201 0.264543 Sb\n0.500804 0.398954 0.785567 S\n0.500036 0.899442 0.786437 S\n0.499195 0.101046 0.214433 S\n0.499964 0.600557 0.213562 S\n0.594416 0.153975 0.353322 O\n0.596486 0.653604 0.352126 O\n0.405585 0.346025 0.646679 O\n0.403514 0.846396 0.647874 O\n0.752690 0.388472 0.845714 O\n0.751976 0.888662 0.846237 O\n0.247312 0.111527 0.154287 O\n0.248023 0.611338 0.153762 O\n0.159084 0.224802 0.851423 F\n0.158927 0.724511 0.851632 F\n0.840915 0.275198 0.148577 F\n0.841074 0.775489 0.148368 F\n0.835041 0.328954 0.444007 F\n0.834984 0.829134 0.443857 F\n0.164958 0.171046 0.555993 F\n0.165017 0.670866 0.556142 F\n0.221741 0.059376 0.773814 F\n0.221714 0.559044 0.774068 F\n0.778260 0.440624 0.226186 F\n0.778286 0.940956 0.225932 F\n0.226252 0.455830 0.395778 F\n0.226204 0.956337 0.395174 F\n0.773748 0.044170 0.604222 F\n0.773796 0.543663 0.604826 F\n0.717675 0.206854 0.675409 F\n0.716809 0.706201 0.674819 F\n0.282324 0.293146 0.324591 F\n0.283193 0.793800 0.325181 F\n0.236270 0.400727 0.095767 F\n0.235903 0.901075 0.095590 F\n0.763730 0.099273 0.904233 F\n0.764097 0.598925 0.904410 F\n",
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"formula_full": "Co2 Sb4 S4 O8 F24",
"formula_reduced": "CoSb2S2(OF3)4",
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"spacegroup": 2
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{
"id": "mp-1209007",
"created_at": "2022-09-04T14:47:23.426188Z",
"structure_string": "Sr4 In20 Au12\n1.0\n4.526423 0.000000 0.000000\n0.000000 12.823146 0.000000\n0.000000 0.000000 15.359346\nSr In Au\n4 20 12\ndirect\n0.250000 0.895936 0.295893 Sr\n0.750000 0.104064 0.704107 Sr\n0.750000 0.395936 0.204107 Sr\n0.250000 0.604064 0.795893 Sr\n0.250000 0.411680 0.006064 In\n0.750000 0.588320 0.993936 In\n0.750000 0.911680 0.493936 In\n0.250000 0.088320 0.506064 In\n0.250000 0.604729 0.310747 In\n0.750000 0.395271 0.689253 In\n0.750000 0.104729 0.189253 In\n0.250000 0.895271 0.810747 In\n0.250000 0.014679 0.069261 In\n0.750000 0.985321 0.930739 In\n0.750000 0.514679 0.430739 In\n0.250000 0.485321 0.569261 In\n0.250000 0.773968 0.025961 In\n0.750000 0.226032 0.974039 In\n0.750000 0.273968 0.474039 In\n0.250000 0.726032 0.525961 In\n0.250000 0.198611 0.304686 In\n0.750000 0.801389 0.695314 In\n0.750000 0.698611 0.195314 In\n0.250000 0.301389 0.804686 In\n0.250000 0.578704 0.124661 Au\n0.750000 0.421296 0.875339 Au\n0.750000 0.078704 0.375339 Au\n0.250000 0.921296 0.624661 Au\n0.250000 0.231552 0.110772 Au\n0.750000 0.768448 0.889228 Au\n0.750000 0.731552 0.389228 Au\n0.250000 0.268448 0.610772 Au\n0.250000 0.392064 0.381743 Au\n0.750000 0.607936 0.618257 Au\n0.750000 0.892064 0.118257 Au\n0.250000 0.107936 0.881743 Au\n",
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"volume": 891.5022585657296,
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"formula_full": "Sr4 In20 Au12",
"formula_reduced": "SrIn5Au3",
"formula_anonymous": "AB3C5",
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{
"id": "mp-1193476",
"created_at": "2022-09-04T14:47:23.427044Z",
"structure_string": "Ti3 Co20 B6\n1.0\n-5.247809 -5.247809 0.000000\n-5.247809 0.000000 -5.247809\n0.000000 -5.247809 -5.247809\nTi Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.852066 0.382645 0.382645 Co\n0.382645 0.852066 0.382645 Co\n0.382645 0.382645 0.852066 Co\n0.382645 0.382645 0.382645 Co\n0.147934 0.617355 0.617355 Co\n0.617355 0.147934 0.617355 Co\n0.617355 0.617355 0.147934 Co\n0.617355 0.617355 0.617355 Co\n0.658190 0.000000 0.000000 Co\n0.658190 0.000000 0.341810 Co\n0.658190 0.341810 0.000000 Co\n0.000000 0.658190 0.341810 Co\n0.000000 0.658190 0.000000 Co\n0.341810 0.658190 0.000000 Co\n0.000000 0.341810 0.658190 Co\n0.341810 0.000000 0.658190 Co\n0.000000 0.000000 0.658190 Co\n0.341810 0.000000 0.000000 Co\n0.000000 0.341810 0.000000 Co\n0.000000 0.000000 0.341810 Co\n0.728328 0.271672 0.271672 B\n0.728328 0.271672 0.728328 B\n0.728328 0.728328 0.271672 B\n0.271672 0.728328 0.728328 B\n0.271672 0.728328 0.271672 B\n0.271672 0.271672 0.728328 B\n",
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{
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"structure_string": "Nb2 P2 S2\n1.0\n-1.726479 2.366267 6.036575\n1.726479 -2.366267 6.036575\n1.726479 2.366267 -6.036575\nNb P S\n2 2 2\ndirect\n0.375776 0.875776 0.500000 Nb\n0.624224 0.124224 0.500000 Nb\n0.763680 0.500000 0.263680 P\n0.236320 0.500000 0.736320 P\n0.212681 0.212681 0.000000 S\n0.787319 0.787319 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:47:23.432504Z",
"structure_string": "Ag2 C8 N6\n1.0\n-3.120527 4.000379 5.532483\n3.120527 -4.000379 5.532483\n3.120527 4.000379 -5.532483\nAg C N\n2 8 6\ndirect\n0.878073 0.148264 0.770191 Ag\n0.121927 0.892117 0.270191 Ag\n0.449473 0.156441 0.903073 C\n0.246632 0.453600 0.403073 C\n0.297700 0.637938 0.840238 C\n0.702300 0.542539 0.340238 C\n0.753368 0.156441 0.206968 C\n0.550527 0.453600 0.706968 C\n0.367258 0.519547 0.652288 C\n0.632742 0.285030 0.152288 C\n0.144818 0.399362 0.195187 N\n0.761721 0.757232 0.495511 N\n0.238279 0.733790 0.995511 N\n0.855182 0.050369 0.254544 N\n0.295825 0.050369 0.695187 N\n0.704175 0.399362 0.754544 N\n",
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"formula_full": "Ag2 C8 N6",
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{
"id": "mp-680477",
"created_at": "2022-09-04T14:47:23.446243Z",
"structure_string": "Al4 Rh2 C8 Cl14 O8\n1.0\n9.823981 0.000000 0.000000\n3.994882 9.039217 0.000000\n2.492735 1.545434 9.933087\nAl Rh C Cl O\n4 2 8 14 8\ndirect\n0.830546 0.196466 0.823164 Al\n0.299566 0.433159 0.418822 Al\n0.700434 0.566841 0.581178 Al\n0.169454 0.803534 0.176836 Al\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.210047 0.358261 0.977943 C\n0.938755 0.354454 0.142086 C\n0.534224 0.022256 0.302089 C\n0.699661 0.007210 0.487808 C\n0.061245 0.645546 0.857914 C\n0.789953 0.641739 0.022057 C\n0.300339 0.992790 0.512192 C\n0.465776 0.977744 0.697911 C\n0.737236 0.634225 0.368366 Cl\n0.180013 0.684898 0.395934 Cl\n0.062623 0.121414 0.840584 Cl\n0.937377 0.878586 0.159416 Cl\n0.314784 0.646734 0.047082 Cl\n0.188343 0.348172 0.321294 Cl\n0.532269 0.380740 0.336631 Cl\n0.811657 0.651828 0.678706 Cl\n0.244816 0.978458 0.174769 Cl\n0.819987 0.315102 0.604066 Cl\n0.685216 0.353266 0.952918 Cl\n0.755184 0.021542 0.825231 Cl\n0.467731 0.619260 0.663369 Cl\n0.262764 0.365775 0.631634 Cl\n0.184494 0.986847 0.521556 O\n0.095885 0.729377 0.774282 O\n0.554584 0.038363 0.187237 O\n0.332929 0.277329 0.964852 O\n0.815506 0.013153 0.478444 O\n0.667071 0.722671 0.035148 O\n0.445416 0.961637 0.812763 O\n0.904115 0.270623 0.225718 O\n",
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"formula_full": "Al4 Rh2 C8 Cl14 O8",
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{
"id": "mp-1017362",
"created_at": "2022-09-04T14:47:23.449876Z",
"structure_string": "Mg12 Ga2 Si2\n1.0\n4.788295 0.000000 0.000000\n0.000000 6.468093 0.000000\n0.000000 0.000000 10.620608\nMg Ga Si\n12 2 2\ndirect\n0.500000 0.250016 0.084402 Mg\n0.500000 0.749984 0.084402 Mg\n0.000000 0.249218 0.912513 Mg\n0.000000 0.750782 0.912513 Mg\n0.000000 0.500000 0.170382 Mg\n0.000000 0.500000 0.668952 Mg\n0.500000 0.750016 0.584402 Mg\n0.500000 0.249984 0.584402 Mg\n0.000000 0.749218 0.412513 Mg\n0.000000 0.250782 0.412513 Mg\n0.000000 0.000000 0.670382 Mg\n0.000000 0.000000 0.168952 Mg\n0.500000 0.500000 0.833204 Ga\n0.500000 0.000000 0.333204 Ga\n0.500000 0.500000 0.333637 Si\n0.500000 0.000000 0.833637 Si\n",
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"formula_full": "Mg12 Ga2 Si2",
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