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{
"id": "mp-1224841",
"created_at": "2022-09-04T14:41:14.092264Z",
"structure_string": "Ga2 Si4 Mo3\n1.0\n-2.371109 -4.101399 0.007839\n-4.737282 -0.002851 -0.007914\n-0.010941 0.018833 -6.571241\nGa Si Mo\n2 4 3\ndirect\n0.162912 0.669303 0.670202 Ga\n0.669313 0.162919 0.996459 Ga\n0.159495 0.159623 0.333359 Si\n0.841274 0.324309 0.665169 Si\n0.324421 0.841320 0.001495 Si\n0.840390 0.840367 0.333354 Si\n0.496764 0.997385 0.657641 Mo\n0.997312 0.496841 0.009001 Mo\n0.503520 0.503533 0.333320 Mo\n",
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{
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"spacegroup": 63
},
{
"id": "mp-759074",
"created_at": "2022-09-04T14:41:13.657403Z",
"structure_string": "Li6 Fe3 Co5 O16\n1.0\n5.242395 0.000000 -0.014414\n0.000000 2.908542 0.000000\n1.493859 0.000000 18.940319\nLi Fe Co O\n6 3 5 16\ndirect\n0.016627 0.000000 0.009219 Li\n0.233935 0.000000 0.239246 Li\n0.374013 0.500000 0.376646 Li\n0.518780 0.000000 0.511484 Li\n0.733155 0.000000 0.737820 Li\n0.872090 0.500000 0.874708 Li\n0.616476 0.000000 0.122090 Fe\n0.744295 0.500000 0.250901 Fe\n0.881136 0.000000 0.379581 Fe\n0.009172 0.500000 0.503781 Co\n0.122814 0.000000 0.625498 Co\n0.247113 0.500000 0.751642 Co\n0.372580 0.000000 0.874047 Co\n0.507218 0.500000 0.995465 Co\n0.045089 0.500000 0.317129 O\n0.167766 0.000000 0.446250 O\n0.072737 0.000000 0.810442 O\n0.359202 0.000000 0.048438 O\n0.269033 0.500000 0.569031 O\n0.219877 0.500000 0.935182 O\n0.457659 0.500000 0.184472 O\n0.381757 0.000000 0.689139 O\n0.580832 0.000000 0.315543 O\n0.543520 0.500000 0.809641 O\n0.775926 0.500000 0.057048 O\n0.719596 0.500000 0.443925 O\n0.663047 0.000000 0.937883 O\n0.898443 0.000000 0.192019 O\n0.873499 0.000000 0.560666 O\n0.972093 0.500000 0.681091 O\n",
"nsites": 30,
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"volume": 288.8594233190213,
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"formula_full": "Li6 Fe3 Co5 O16",
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},
{
"id": "mp-759813",
"created_at": "2022-09-04T14:41:13.672381Z",
"structure_string": "Li8 Ti4 V4 O16\n1.0\n1.462476 0.856895 4.850532\n-2.920937 5.194417 -0.036553\n-6.173440 -6.853961 4.933557\nLi Ti V O\n8 4 4 16\ndirect\n0.999987 0.500002 0.500004 Li\n0.500007 0.749999 0.999997 Li\n0.999987 0.000002 0.500004 Li\n0.500012 0.249998 0.999996 Li\n0.500014 0.250008 0.499996 Li\n0.999990 0.500012 0.000006 Li\n0.500013 0.750006 0.499996 Li\n0.999991 0.000012 0.000006 Li\n0.249985 0.624972 0.250011 Ti\n0.750026 0.874959 0.749983 Ti\n0.249984 0.124967 0.250011 Ti\n0.750025 0.374953 0.749983 Ti\n0.749981 0.375008 0.249993 V\n0.250021 0.625012 0.750000 V\n0.749980 0.875008 0.249993 V\n0.250022 0.125012 0.750001 V\n0.895171 0.684019 0.368009 O\n0.395247 0.934019 0.868014 O\n0.895170 0.184011 0.368009 O\n0.395247 0.434014 0.868014 O\n0.604763 0.065999 0.131989 O\n0.104825 0.315996 0.631986 O\n0.604763 0.566004 0.131989 O\n0.104825 0.816005 0.631987 O\n0.364843 0.432249 0.364533 O\n0.864838 0.682251 0.864536 O\n0.364825 0.932251 0.364537 O\n0.864822 0.182251 0.864537 O\n0.135166 0.317749 0.135472 O\n0.635161 0.567749 0.635472 O\n0.135183 0.817748 0.135470 O\n0.635179 0.067746 0.635467 O\n",
"nsites": 32,
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"elements": [
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"chemical_system": "Li-O-Ti-V",
"density": 3.8821285635272407,
"density_atomic": 0.10585308084044974,
"volume": 302.3057972987387,
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"formula_full": "Li8 Ti4 V4 O16",
"formula_reduced": "Li2TiVO4",
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"energy": -250.38095769,
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"spacegroup": 10
},
{
"id": "mp-1182795",
"created_at": "2022-09-04T14:41:13.702106Z",
"structure_string": "Cs4 Mo2 N2 Cl8 O4\n1.0\n3.768546 8.788003 -0.004017\n-3.734145 8.772866 0.001335\n-0.005792 -0.001271 8.697253\nCs Mo N Cl O\n4 2 2 8 4\ndirect\n0.238104 0.236589 0.246681 Cs\n0.761739 0.766849 0.748675 Cs\n0.525825 0.520134 0.246916 Cs\n0.473516 0.480549 0.746712 Cs\n0.893398 0.895680 0.249478 Mo\n0.105918 0.104399 0.747973 Mo\n0.773676 0.774359 0.247792 N\n0.224847 0.226247 0.747084 N\n0.115128 0.645895 0.448755 Cl\n0.353372 0.884707 0.546574 Cl\n0.112748 0.651197 0.047145 Cl\n0.354673 0.884914 0.949149 Cl\n0.884255 0.351039 0.547358 Cl\n0.647473 0.113728 0.451674 Cl\n0.886023 0.350407 0.949205 Cl\n0.645571 0.117617 0.048497 Cl\n0.703779 0.707466 0.246670 O\n0.298593 0.289512 0.746345 O\n0.989191 0.996664 0.250671 O\n0.012444 0.001042 0.748586 O\n",
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"spacegroup": 11
},
{
"id": "mp-984628",
"created_at": "2022-09-04T14:41:13.784478Z",
"structure_string": "Ca1 B1 O3\n1.0\n3.479680 0.000000 0.000000\n0.000000 3.479680 0.000000\n0.000000 0.000000 3.479680\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-757579",
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"structure_string": "Li12 Fe4 P8 O32\n1.0\n4.880386 0.000000 0.000000\n0.000000 9.084686 0.000000\n0.000000 3.487627 14.379710\nLi Fe P O\n12 4 8 32\ndirect\n0.746375 0.892020 0.923503 Li\n0.753625 0.892020 0.423503 Li\n0.347196 0.733713 0.509184 Li\n0.152804 0.733713 0.009184 Li\n0.864134 0.600233 0.654374 Li\n0.635866 0.600233 0.154374 Li\n0.364134 0.399767 0.845626 Li\n0.135866 0.399767 0.345626 Li\n0.652804 0.266287 0.490816 Li\n0.847196 0.266287 0.990816 Li\n0.246375 0.107980 0.576497 Li\n0.253625 0.107980 0.076497 Li\n0.208598 0.810674 0.792738 Fe\n0.291402 0.810674 0.292738 Fe\n0.708598 0.189326 0.707262 Fe\n0.791402 0.189326 0.207262 Fe\n0.750447 0.932490 0.627603 P\n0.749553 0.932490 0.127603 P\n0.773900 0.593853 0.856616 P\n0.726100 0.593853 0.356616 P\n0.273900 0.406147 0.643384 P\n0.226100 0.406147 0.143384 P\n0.250447 0.067510 0.872397 P\n0.249553 0.067510 0.372397 P\n0.526021 0.967237 0.696721 O\n0.973979 0.967237 0.196721 O\n0.354809 0.902249 0.915968 O\n0.145191 0.902249 0.415968 O\n0.637868 0.848719 0.557938 O\n0.862132 0.848719 0.057938 O\n0.997747 0.840398 0.676785 O\n0.502253 0.840398 0.176785 O\n0.503042 0.672569 0.813796 O\n0.930857 0.716657 0.897996 O\n0.996958 0.672569 0.313796 O\n0.569143 0.716657 0.397996 O\n0.187906 0.551004 0.573598 O\n0.312094 0.551004 0.073598 O\n0.974722 0.564231 0.784102 O\n0.474722 0.435769 0.715898 O\n0.525278 0.564231 0.284102 O\n0.025278 0.435769 0.215898 O\n0.687906 0.448996 0.926402 O\n0.812094 0.448996 0.426402 O\n0.430857 0.283343 0.602004 O\n0.003042 0.327431 0.686204 O\n0.069143 0.283343 0.102004 O\n0.496958 0.327431 0.186204 O\n0.497747 0.159602 0.823215 O\n0.002253 0.159602 0.323215 O\n0.137868 0.151281 0.942062 O\n0.362132 0.151281 0.442062 O\n0.854809 0.097751 0.584032 O\n0.645191 0.097751 0.084032 O\n0.026021 0.032763 0.803279 O\n0.473979 0.032763 0.303279 O\n",
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{
"id": "mp-644529",
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"structure_string": "Tb3 Ga6 Co9\n1.0\n4.493635 -7.783204 0.000000\n4.493635 7.783204 0.000000\n0.000000 0.000000 3.827995\nTb Ga Co\n3 6 9\ndirect\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.684115 0.684115 0.500000 Ga\n0.315885 0.000000 0.500000 Ga\n0.000000 0.315885 0.500000 Ga\n0.315885 0.315885 0.500000 Ga\n0.684115 0.000000 0.500000 Ga\n0.000000 0.684115 0.500000 Ga\n0.816746 0.183254 0.000000 Co\n0.816746 0.633492 0.000000 Co\n0.366508 0.183254 0.000000 Co\n0.183254 0.816746 0.000000 Co\n0.633492 0.816746 0.000000 Co\n0.183254 0.366508 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n",
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{
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