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{
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{
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{
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"structure_string": "Lu4 P8 O26\n1.0\n3.354106 5.957461 0.000000\n-3.354106 5.957461 0.000000\n0.000000 3.613484 12.334873\nLu P O\n4 8 26\ndirect\n0.694667 0.699704 0.447837 Lu\n0.699704 0.694667 0.947837 Lu\n0.300296 0.305333 0.052163 Lu\n0.305333 0.300296 0.552163 Lu\n0.836997 0.138354 0.367361 P\n0.760111 0.773419 0.159876 P\n0.861646 0.163003 0.132639 P\n0.226581 0.239889 0.340124 P\n0.773419 0.760111 0.659876 P\n0.138354 0.836997 0.867361 P\n0.239889 0.226581 0.840124 P\n0.163003 0.861646 0.632639 P\n0.670467 0.316705 0.442673 O\n0.877246 0.895458 0.397156 O\n0.899893 0.907305 0.152854 O\n0.895458 0.877246 0.897156 O\n0.925109 0.572964 0.094299 O\n0.907305 0.899893 0.652854 O\n0.693498 0.704896 0.278140 O\n0.427036 0.074891 0.405701 O\n0.316705 0.670467 0.942673 O\n0.560474 0.927476 0.093037 O\n0.295104 0.306502 0.221860 O\n0.927476 0.560474 0.593037 O\n0.751774 0.248226 0.250000 O\n0.072524 0.439526 0.406963 O\n0.704896 0.693498 0.778140 O\n0.439526 0.072524 0.906963 O\n0.683295 0.329533 0.057327 O\n0.572964 0.925109 0.594299 O\n0.306502 0.295104 0.721860 O\n0.092695 0.100107 0.347146 O\n0.074891 0.427036 0.905701 O\n0.104542 0.122754 0.102844 O\n0.100107 0.092695 0.847146 O\n0.248226 0.751774 0.750000 O\n0.122754 0.104542 0.602844 O\n0.329533 0.683295 0.557327 O\n",
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"formula_full": "Lu4 P8 O26",
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{
"id": "mp-1367209",
"created_at": "2022-09-04T14:46:59.612014Z",
"structure_string": "Ca1 Nd2 Ti2 Mn2 O12\n1.0\n5.372140 0.000000 0.000000\n0.041787 5.438814 0.000000\n0.009794 0.034025 7.672894\nCa Nd Ti Mn O\n1 2 2 2 12\ndirect\n0.996265 0.963071 0.249623 Ca\n0.010121 0.042712 0.749846 Nd\n0.510795 0.455154 0.250369 Nd\n0.006623 0.508700 0.983896 Ti\n0.500812 0.982047 0.513346 Ti\n0.003798 0.498079 0.499368 Mn\n0.502433 0.994570 0.001116 Mn\n0.941268 0.493281 0.746667 O\n0.779355 0.210664 0.036475 O\n0.788439 0.216463 0.463833 O\n0.719140 0.722796 0.046591 O\n0.722808 0.717865 0.454666 O\n0.565797 0.984781 0.752695 O\n0.434948 0.012426 0.246273 O\n0.273872 0.275802 0.529395 O\n0.275032 0.273734 0.971677 O\n0.201307 0.791191 0.525098 O\n0.207193 0.797176 0.975129 O\n0.070434 0.509106 0.254231 O\n",
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"formula_full": "Ca1 Nd2 Ti2 Mn2 O12",
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"spacegroup": 1
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{
"id": "mp-1220725",
"created_at": "2022-09-04T14:46:59.613305Z",
"structure_string": "Nb2 C1 N1\n1.0\n5.270366 -1.588415 0.000000\n5.270366 1.588415 0.000000\n4.791640 0.000000 2.709245\nNb C N\n2 1 1\ndirect\n0.256596 0.256596 0.256596 Nb\n0.743404 0.743404 0.743404 Nb\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n",
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{
"id": "mp-1195473",
"created_at": "2022-09-04T14:46:59.614199Z",
"structure_string": "K4 Mn4 As12 F72\n1.0\n9.770821 0.000000 0.000000\n0.000000 10.840823 0.000000\n0.000000 0.000000 14.428471\nK Mn As F\n4 4 12 72\ndirect\n0.524891 0.919135 0.750000 K\n0.975109 0.419135 0.750000 K\n0.475109 0.080865 0.250000 K\n0.024891 0.580865 0.250000 K\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.117852 0.028008 0.750000 As\n0.382148 0.528008 0.750000 As\n0.882148 0.971992 0.250000 As\n0.617852 0.471992 0.250000 As\n0.689340 0.200219 0.553231 As\n0.810660 0.700219 0.946769 As\n0.310660 0.799781 0.053231 As\n0.189340 0.299781 0.446769 As\n0.310660 0.799781 0.446769 As\n0.189340 0.299781 0.053231 As\n0.689340 0.200219 0.946769 As\n0.810660 0.700219 0.553231 As\n0.115483 0.029151 0.623661 F\n0.384517 0.529151 0.876339 F\n0.884517 0.970849 0.123661 F\n0.615483 0.470849 0.376339 F\n0.884517 0.970849 0.376339 F\n0.615483 0.470849 0.123661 F\n0.115483 0.029151 0.876339 F\n0.384517 0.529151 0.623661 F\n0.174576 0.875175 0.750000 F\n0.325424 0.375175 0.750000 F\n0.825424 0.124825 0.250000 F\n0.674576 0.624825 0.250000 F\n0.289217 0.076710 0.750000 F\n0.210783 0.576710 0.750000 F\n0.710783 0.923290 0.250000 F\n0.789217 0.423290 0.250000 F\n0.065435 0.183368 0.750000 F\n0.434565 0.683368 0.750000 F\n0.934565 0.816632 0.250000 F\n0.565435 0.316632 0.250000 F\n0.946348 0.980569 0.750000 F\n0.553652 0.480569 0.750000 F\n0.053652 0.019431 0.250000 F\n0.446348 0.519431 0.250000 F\n0.816768 0.076577 0.557138 F\n0.683232 0.576577 0.942862 F\n0.183232 0.923423 0.057138 F\n0.316768 0.423423 0.442862 F\n0.183232 0.923423 0.442862 F\n0.316768 0.423423 0.057138 F\n0.816768 0.076577 0.942862 F\n0.683232 0.576577 0.557138 F\n0.787364 0.278505 0.471102 F\n0.712636 0.778505 0.028898 F\n0.212636 0.721495 0.971102 F\n0.287364 0.221495 0.528898 F\n0.212636 0.721495 0.528898 F\n0.287364 0.221495 0.971102 F\n0.787364 0.278505 0.028898 F\n0.712636 0.778505 0.471102 F\n0.600401 0.123457 0.464798 F\n0.899599 0.623457 0.035202 F\n0.399599 0.876543 0.964798 F\n0.100401 0.376543 0.535202 F\n0.399599 0.876543 0.535202 F\n0.100401 0.376543 0.964798 F\n0.600401 0.123457 0.035202 F\n0.899599 0.623457 0.464798 F\n0.563269 0.324013 0.552227 F\n0.936731 0.824013 0.947773 F\n0.436731 0.675987 0.052227 F\n0.063269 0.175987 0.447773 F\n0.436731 0.675987 0.447773 F\n0.063269 0.175987 0.052227 F\n0.563269 0.324013 0.947773 F\n0.936731 0.824013 0.552227 F\n0.592452 0.120004 0.636591 F\n0.907548 0.620004 0.863409 F\n0.407548 0.879996 0.136591 F\n0.092452 0.379996 0.363409 F\n0.407548 0.879996 0.363409 F\n0.092452 0.379996 0.136591 F\n0.592452 0.120004 0.863409 F\n0.907548 0.620004 0.636591 F\n0.777438 0.276188 0.643357 F\n0.722562 0.776188 0.856643 F\n0.222562 0.723812 0.143357 F\n0.277438 0.223812 0.356643 F\n0.222562 0.723812 0.356643 F\n0.277438 0.223812 0.143357 F\n0.777438 0.276188 0.856643 F\n0.722562 0.776188 0.643357 F\n",
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"formula_full": "K4 Mn4 As12 F72",
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{
"id": "mp-1235490",
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"structure_string": "Rb2 Li1 Pu1 Cl4 O2\n1.0\n-0.596469 0.000000 5.579570\n-6.702335 3.761970 1.136964\n-6.702335 -3.761970 1.136964\nRb Li Pu Cl O\n2 1 1 4 2\ndirect\n0.771713 0.775342 0.775342 Rb\n0.228287 0.224658 0.224658 Rb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pu\n0.716537 0.863517 0.321418 Cl\n0.716537 0.321418 0.863517 Cl\n0.283463 0.136483 0.678582 Cl\n0.283463 0.678582 0.136483 Cl\n0.749544 0.382608 0.382608 O\n0.250456 0.617392 0.617392 O\n",
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"formula_full": "Rb2 Li1 Pu1 Cl4 O2",
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{
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"structure_string": "Sr2 Cr2 Sn2 P6 O24\n1.0\n8.085225 -4.294582 0.000000\n8.085225 4.294582 0.000000\n5.804097 0.000000 7.080025\nSr Cr Sn P O\n2 2 2 6 24\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.849935 0.849935 0.849935 Cr\n0.150065 0.150065 0.150065 Cr\n0.350752 0.350752 0.350752 Sn\n0.649248 0.649248 0.649248 Sn\n0.539573 0.960539 0.244893 P\n0.039461 0.755107 0.460427 P\n0.755107 0.460427 0.039461 P\n0.960539 0.244893 0.539573 P\n0.460427 0.039461 0.755107 P\n0.244893 0.539573 0.960539 P\n0.719167 0.475513 0.883416 O\n0.116584 0.280833 0.524487 O\n0.358713 0.982973 0.250410 O\n0.708996 0.955121 0.058107 O\n0.250410 0.358713 0.982973 O\n0.590696 0.767329 0.406972 O\n0.280833 0.524487 0.116584 O\n0.409304 0.232671 0.593028 O\n0.232671 0.593028 0.409304 O\n0.593028 0.409304 0.232671 O\n0.941893 0.291004 0.044879 O\n0.406972 0.590696 0.767329 O\n0.044879 0.941893 0.291004 O\n0.291004 0.044879 0.941893 O\n0.767329 0.406972 0.590696 O\n0.475513 0.883416 0.719167 O\n0.749590 0.641287 0.017027 O\n0.955121 0.058107 0.708996 O\n0.017027 0.749590 0.641287 O\n0.058107 0.708996 0.955121 O\n0.641287 0.017027 0.749590 O\n0.982973 0.250410 0.358713 O\n0.883416 0.719167 0.475513 O\n0.524487 0.116584 0.280833 O\n",
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{
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{
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"structure_string": "Li4 Mn12 O4 F32\n1.0\n5.735326 0.000000 0.000000\n0.000000 5.137873 0.000000\n0.000000 3.838197 22.836749\nLi Mn O F\n4 12 4 32\ndirect\n0.015718 0.100175 0.466332 Li\n0.984282 0.100175 0.966332 Li\n0.512893 0.881776 0.035498 Li\n0.487107 0.881776 0.535498 Li\n0.145256 0.770151 0.756778 Mn\n0.041034 0.623240 0.381383 Mn\n0.028334 0.868368 0.119514 Mn\n0.958966 0.623240 0.881383 Mn\n0.971666 0.868368 0.619514 Mn\n0.854744 0.770151 0.256778 Mn\n0.739484 0.377641 0.745817 Mn\n0.532262 0.360132 0.116916 Mn\n0.528469 0.113423 0.383557 Mn\n0.471531 0.113423 0.883557 Mn\n0.467738 0.360132 0.616916 Mn\n0.260516 0.377641 0.245817 Mn\n0.045935 0.532486 0.304677 O\n0.029600 0.651258 0.196222 O\n0.954065 0.532486 0.804677 O\n0.970400 0.651258 0.696222 O\n0.286691 0.926512 0.353226 F\n0.279055 0.145451 0.148903 F\n0.218381 0.297785 0.912043 F\n0.253007 0.634692 0.584691 F\n0.013551 0.084830 0.045958 F\n0.014588 0.746193 0.452060 F\n0.012012 0.093368 0.250638 F\n0.987988 0.093368 0.750638 F\n0.985412 0.746193 0.952060 F\n0.986449 0.084830 0.545958 F\n0.781619 0.297785 0.412043 F\n0.746993 0.634692 0.084691 F\n0.713309 0.926512 0.853226 F\n0.720945 0.145451 0.648903 F\n0.784868 0.850039 0.347220 F\n0.783063 0.068241 0.145635 F\n0.715651 0.683730 0.590136 F\n0.751295 0.340962 0.915452 F\n0.523327 0.351013 0.310998 F\n0.538181 0.473243 0.191014 F\n0.556959 0.894116 0.246316 F\n0.513527 0.886702 0.454573 F\n0.512169 0.240949 0.046153 F\n0.486473 0.886702 0.954573 F\n0.487831 0.240949 0.546153 F\n0.443041 0.894116 0.746316 F\n0.476673 0.351013 0.810998 F\n0.461819 0.473243 0.691014 F\n0.248705 0.340962 0.415452 F\n0.284349 0.683730 0.090136 F\n0.215132 0.850039 0.847220 F\n0.216937 0.068241 0.645635 F\n",
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}