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{
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{
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"formula_full": "Li4 Mn12 O24",
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{
"id": "mp-1222231",
"created_at": "2022-09-04T14:40:13.938968Z",
"structure_string": "Mg13 Nb2 H32\n1.0\n6.714528 0.000000 0.000000\n0.000000 6.714528 0.000000\n0.000000 0.000000 9.450813\nMg Nb H\n13 2 32\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.744563 0.255437 0.243692 Mg\n0.255437 0.744563 0.756308 Mg\n0.744563 0.744563 0.243692 Mg\n0.255437 0.255437 0.756308 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.255437 0.744563 0.243692 Mg\n0.744563 0.255437 0.756308 Mg\n0.744563 0.744563 0.756308 Mg\n0.255437 0.255437 0.243692 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.742452 0.000000 0.630443 H\n0.220292 0.500000 0.136967 H\n0.000000 0.257548 0.369557 H\n0.500000 0.779708 0.863033 H\n0.000000 0.742452 0.369557 H\n0.500000 0.220292 0.863033 H\n0.257548 0.000000 0.630443 H\n0.779708 0.500000 0.136967 H\n0.257548 0.000000 0.369557 H\n0.779708 0.500000 0.863033 H\n0.000000 0.742452 0.630443 H\n0.500000 0.220292 0.136967 H\n0.000000 0.257548 0.630443 H\n0.500000 0.779708 0.136967 H\n0.742452 0.000000 0.369557 H\n0.220292 0.500000 0.863033 H\n0.233138 0.000000 0.881199 H\n0.737879 0.500000 0.382707 H\n0.500000 0.262121 0.617293 H\n0.000000 0.766862 0.118801 H\n0.500000 0.737879 0.617293 H\n0.000000 0.233138 0.118801 H\n0.766862 0.000000 0.881199 H\n0.262121 0.500000 0.382707 H\n0.766862 0.000000 0.118801 H\n0.262121 0.500000 0.617293 H\n0.500000 0.737879 0.382707 H\n0.000000 0.233138 0.881199 H\n0.500000 0.262121 0.382707 H\n0.000000 0.766862 0.881199 H\n0.233138 0.000000 0.118801 H\n0.737879 0.500000 0.617293 H\n",
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{
"id": "mp-1043901",
"created_at": "2022-09-04T14:40:13.941300Z",
"structure_string": "Zn4 Cu4 Bi4 O20\n1.0\n10.961163 0.000000 0.000000\n0.000000 5.167229 0.000000\n0.000000 2.276830 7.678408\nZn Cu Bi O\n4 4 4 20\ndirect\n0.088007 0.537409 0.810470 Zn\n0.911993 0.462591 0.189530 Zn\n0.588007 0.462591 0.689530 Zn\n0.411993 0.537409 0.310470 Zn\n0.359638 0.157510 0.037168 Cu\n0.640362 0.842490 0.962832 Cu\n0.859638 0.842490 0.462832 Cu\n0.140362 0.157510 0.537168 Cu\n0.897950 0.014930 0.837916 Bi\n0.102050 0.985070 0.162084 Bi\n0.602050 0.014930 0.337916 Bi\n0.397950 0.985070 0.662084 Bi\n0.935134 0.741402 0.681541 O\n0.021043 0.278630 0.661958 O\n0.790971 0.131491 0.285606 O\n0.461215 0.743162 0.494744 O\n0.705899 0.749944 0.549165 O\n0.794101 0.749944 0.049165 O\n0.478957 0.278630 0.161958 O\n0.521043 0.721370 0.838042 O\n0.538785 0.256838 0.505256 O\n0.435134 0.258598 0.818459 O\n0.294101 0.250056 0.450835 O\n0.064866 0.258598 0.318459 O\n0.564866 0.741402 0.181541 O\n0.205899 0.250056 0.950835 O\n0.961215 0.256838 0.005256 O\n0.038785 0.743162 0.994744 O\n0.209029 0.868509 0.714394 O\n0.978957 0.721370 0.338042 O\n0.290971 0.868509 0.214394 O\n0.709029 0.131491 0.785606 O\n",
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{
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"structure_string": "Ho3 Ga6 Ni9\n1.0\n0.000000 0.000000 -4.092740\n-4.366349 -7.562738 0.000000\n-4.380892 7.571135 0.000000\nHo Ga Ni\n3 6 9\ndirect\n0.500000 0.332869 0.666329 Ho\n0.500000 0.666541 0.333671 Ho\n0.000000 0.999853 0.000000 Ho\n0.000000 0.514692 0.000000 Ga\n0.000000 0.485420 0.485382 Ga\n0.000000 0.000038 0.514618 Ga\n0.500000 0.271080 0.000000 Ga\n0.500000 0.727779 0.727947 Ga\n0.500000 0.999831 0.272053 Ga\n0.000000 0.176803 0.370848 Ni\n0.000000 0.194733 0.823283 Ni\n0.000000 0.628503 0.805354 Ni\n0.000000 0.805956 0.629152 Ni\n0.000000 0.371450 0.176717 Ni\n0.000000 0.823149 0.194646 Ni\n0.500000 0.704933 0.000000 Ni\n0.500000 0.295930 0.295589 Ni\n0.500000 0.000340 0.704411 Ni\n",
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{
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{
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"structure_string": "Sm18 Ga10 S42\n1.0\n7.892772 -8.567939 0.000000\n7.892772 8.567939 0.000000\n-1.408089 0.000000 11.563854\nSm Ga S\n18 10 42\ndirect\n0.259452 0.121259 0.884712 Sm\n0.918004 0.773077 0.542018 Sm\n0.602384 0.449973 0.227039 Sm\n0.449973 0.227039 0.602384 Sm\n0.121259 0.884712 0.259452 Sm\n0.773077 0.542018 0.918004 Sm\n0.542018 0.918004 0.773077 Sm\n0.227039 0.602384 0.449973 Sm\n0.884712 0.259452 0.121259 Sm\n0.416804 0.561930 0.791482 Sm\n0.069421 0.215559 0.445913 Sm\n0.752393 0.895992 0.127720 Sm\n0.215559 0.445913 0.069421 Sm\n0.895992 0.127720 0.752393 Sm\n0.561930 0.791482 0.416804 Sm\n0.127720 0.752393 0.895992 Sm\n0.791482 0.416804 0.561930 Sm\n0.445913 0.069421 0.215559 Sm\n0.949857 0.609239 0.276187 Ga\n0.609239 0.276187 0.949857 Ga\n0.276187 0.949857 0.609239 Ga\n0.448695 0.773101 0.113582 Ga\n0.113582 0.448695 0.773101 Ga\n0.773101 0.113582 0.448695 Ga\n0.143970 0.143970 0.143970 Ga\n0.845920 0.845920 0.845920 Ga\n0.346775 0.346775 0.346775 Ga\n0.643783 0.643783 0.643783 Ga\n0.986560 0.550666 0.457539 S\n0.641687 0.216967 0.130347 S\n0.303956 0.894519 0.794206 S\n0.894519 0.794206 0.303956 S\n0.550666 0.457539 0.986560 S\n0.216967 0.130347 0.641687 S\n0.130347 0.641687 0.216967 S\n0.794206 0.303956 0.894519 S\n0.457539 0.986560 0.550666 S\n0.522473 0.931749 0.032031 S\n0.188366 0.612451 0.700601 S\n0.840965 0.278015 0.368968 S\n0.612451 0.700601 0.188366 S\n0.278015 0.368968 0.840965 S\n0.931749 0.032031 0.522473 S\n0.368968 0.840965 0.278015 S\n0.032031 0.522473 0.931749 S\n0.700601 0.188366 0.612451 S\n0.824235 0.490893 0.152553 S\n0.490893 0.152553 0.824235 S\n0.152553 0.824235 0.490893 S\n0.653032 0.992233 0.322455 S\n0.322455 0.653032 0.992233 S\n0.992233 0.322455 0.653032 S\n0.690435 0.592700 0.441938 S\n0.334770 0.240750 0.102653 S\n0.005747 0.905272 0.759802 S\n0.905272 0.759802 0.005747 S\n0.592700 0.441938 0.690435 S\n0.240750 0.102653 0.334770 S\n0.102653 0.334770 0.240750 S\n0.759802 0.005747 0.905272 S\n0.441938 0.690435 0.592700 S\n0.618798 0.711495 0.849918 S\n0.273301 0.378293 0.519857 S\n0.960065 0.055037 0.208557 S\n0.378293 0.519857 0.273301 S\n0.055037 0.208557 0.960065 S\n0.711495 0.849918 0.618798 S\n0.208557 0.960065 0.055037 S\n0.849918 0.618798 0.711495 S\n0.519857 0.273301 0.378293 S\n",
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"elements": [
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"formula_full": "Sm18 Ga10 S42",
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"energy_uncorrected": -396.87643701,
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"total_magnetization": 5.13e-05,
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"updated_at": "2021-11-28T01:34:55.113000Z",
"spacegroup": 146
},
{
"id": "mp-698527",
"created_at": "2022-09-04T14:40:13.970296Z",
"structure_string": "Sb2 H6 C4 O8 F12\n1.0\n4.573045 6.497359 0.000000\n-4.573045 6.497359 0.000000\n0.000000 5.656079 6.480883\nSb H C O F\n2 6 4 8 12\ndirect\n0.145165 0.856364 0.500284 Sb\n0.856364 0.145165 0.000284 Sb\n0.434315 0.928636 0.612852 H\n0.928636 0.434315 0.112852 H\n0.624681 0.901289 0.955626 H\n0.901289 0.624681 0.455626 H\n0.385323 0.394104 0.531977 H\n0.394104 0.385323 0.031977 H\n0.524870 0.931822 0.780889 C\n0.931822 0.524870 0.280889 C\n0.489772 0.161030 0.705825 C\n0.161030 0.489772 0.205825 C\n0.487191 0.840661 0.718510 O\n0.840661 0.487191 0.218510 O\n0.593960 0.823117 0.912512 O\n0.823117 0.593960 0.412512 O\n0.414205 0.247092 0.573468 O\n0.247092 0.414205 0.073468 O\n0.531349 0.236760 0.771063 O\n0.236760 0.531349 0.271063 O\n0.043966 0.757742 0.789460 F\n0.757742 0.043966 0.289460 F\n0.250554 0.959560 0.210728 F\n0.959560 0.250554 0.710728 F\n0.330572 0.003384 0.457162 F\n0.003384 0.330572 0.957162 F\n0.954469 0.703707 0.558786 F\n0.703707 0.954469 0.058786 F\n0.947433 0.075686 0.495725 F\n0.075686 0.947433 0.995725 F\n0.340728 0.632892 0.506336 F\n0.632892 0.340728 0.006336 F\n",
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],
"chemical_system": "C-F-H-O-Sb",
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"density_atomic": 0.08308898675630015,
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"formula_full": "Sb2 H6 C4 O8 F12",
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"updated_at": "2021-11-28T01:34:50.912000Z",
"spacegroup": 9
},
{
"id": "mp-1095898",
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"structure_string": "Sc2 Ge1 Pd1\n1.0\n-4.997997 5.621156 7.970599\n4.997997 -5.621156 7.970599\n4.997997 5.621156 -7.970599\nSc Ge Pd\n2 1 1\ndirect\n0.000000 0.249376 0.249376 Sc\n0.000000 0.750624 0.750624 Sc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n",
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}
]
}