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{
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{
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{
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{
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{
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{
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"structure_string": "Mn10 Cr6 O32\n1.0\n5.834219 0.000000 0.000000\n-2.913009 5.062268 0.000000\n-0.025453 -3.355016 19.065310\nMn Cr O\n10 6 32\ndirect\n0.125041 0.000074 0.624989 Mn\n0.374903 0.999996 0.875048 Mn\n0.499919 0.999834 0.999987 Mn\n0.249256 0.999322 0.750252 Mn\n0.874985 0.999920 0.875027 Mn\n0.000859 0.000916 0.499744 Mn\n0.375089 0.000883 0.375082 Mn\n0.124833 0.999030 0.124919 Mn\n0.875657 0.000840 0.375057 Mn\n0.624302 0.999048 0.124919 Mn\n0.874613 0.499686 0.875069 Cr\n0.625131 0.000128 0.624987 Cr\n0.625100 0.500088 0.624946 Cr\n0.374993 0.500034 0.375182 Cr\n0.750035 0.000088 0.249993 Cr\n0.125396 0.500194 0.124757 Cr\n0.462757 0.233250 0.933814 O\n0.902384 0.232881 0.933920 O\n0.957152 0.766013 0.926091 O\n0.846723 0.766654 0.816331 O\n0.286816 0.766430 0.816328 O\n0.285536 0.204683 0.816380 O\n0.464081 0.795402 0.933798 O\n0.212205 0.795935 0.684293 O\n0.403346 0.234127 0.433702 O\n0.650788 0.233620 0.684144 O\n0.792745 0.233851 0.823959 O\n0.541713 0.233235 0.574164 O\n0.708408 0.766907 0.675768 O\n0.037920 0.204255 0.565716 O\n0.787109 0.767658 0.316561 O\n0.037552 0.767209 0.566208 O\n0.212733 0.233089 0.683725 O\n0.963709 0.234218 0.433717 O\n0.964238 0.795279 0.433834 O\n0.292875 0.233872 0.323798 O\n0.347791 0.767847 0.316473 O\n0.457636 0.766650 0.425933 O\n0.206991 0.765830 0.176167 O\n0.599393 0.766679 0.565791 O\n0.535945 0.204515 0.066051 O\n0.784992 0.204721 0.317168 O\n0.712846 0.232301 0.183451 O\n0.715025 0.795190 0.182790 O\n0.042390 0.233519 0.074132 O\n0.152237 0.231928 0.183544 O\n0.097486 0.766280 0.066100 O\n0.536363 0.765888 0.066196 O\n",
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"volume": 563.0821131926591,
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"formula_full": "Mn10 Cr6 O32",
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},
{
"id": "mp-1174351",
"created_at": "2022-09-04T14:40:13.857410Z",
"structure_string": "Li8 Mn6 O14\n1.0\n1.441501 7.686223 0.000000\n-1.441501 7.686223 0.000000\n0.000000 6.771624 11.749433\nLi Mn O\n8 6 14\ndirect\n0.069855 0.069855 0.649581 Li\n0.361938 0.361938 0.204623 Li\n0.638062 0.638062 0.795377 Li\n0.500000 0.500000 0.500000 Li\n0.794443 0.794443 0.063563 Li\n0.930145 0.930145 0.350419 Li\n0.205557 0.205557 0.936437 Li\n0.000000 0.000000 0.000000 Li\n0.429506 0.429506 0.868908 Mn\n0.570494 0.570494 0.131092 Mn\n0.713593 0.713593 0.426984 Mn\n0.286407 0.286407 0.573016 Mn\n0.855302 0.855302 0.723977 Mn\n0.144698 0.144698 0.276023 Mn\n0.026964 0.026964 0.824456 O\n0.311434 0.311434 0.390461 O\n0.603665 0.603665 0.982196 O\n0.453323 0.453323 0.695574 O\n0.741305 0.741305 0.244609 O\n0.885742 0.885742 0.535600 O\n0.164944 0.164944 0.106942 O\n0.114258 0.114258 0.464400 O\n0.396335 0.396335 0.017804 O\n0.688566 0.688566 0.609539 O\n0.546677 0.546677 0.304426 O\n0.835056 0.835056 0.893058 O\n0.973036 0.973036 0.175544 O\n0.258695 0.258695 0.755391 O\n",
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"elements": [
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],
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"density": 3.8850534147241804,
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"volume": 260.3603419292989,
"volume_molar": 5.599737955071313,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
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"updated_at": "2021-11-28T01:34:50.095000Z",
"spacegroup": 12
},
{
"id": "mp-724470",
"created_at": "2022-09-04T14:40:13.879346Z",
"structure_string": "Zn1 Mo1 N4 O8\n1.0\n-4.338462 4.338462 3.479448\n4.338462 -4.338462 3.479448\n4.338462 4.338462 -3.479448\nZn Mo N O\n1 1 4 8\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Mo\n0.522159 0.259867 0.622434 N\n0.637433 0.899725 0.377566 N\n0.740133 0.362567 0.262292 N\n0.100275 0.477841 0.737708 N\n0.922626 0.796278 0.696636 O\n0.099642 0.225991 0.303364 O\n0.203722 0.900358 0.126348 O\n0.774009 0.077374 0.873652 O\n0.141050 0.041471 0.787297 O\n0.254175 0.353754 0.212703 O\n0.958529 0.745825 0.099579 O\n0.646246 0.858950 0.900421 O\n",
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"elements": [
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"N",
"O"
],
"chemical_system": "Mo-N-O-Zn",
"density": 2.1892382530065144,
"density_atomic": 0.053442417834366276,
"volume": 261.9641956206043,
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"formula_full": "Zn1 Mo1 N4 O8",
"formula_reduced": "ZnMo(NO2)4",
"formula_anonymous": "ABC4D8",
"energy": -69.90653176,
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"updated_at": "2021-11-28T01:34:53.860000Z",
"spacegroup": 82
},
{
"id": "mp-1177950",
"created_at": "2022-09-04T14:40:26.128925Z",
"structure_string": "Li4 Fe2 Cu2 O8\n1.0\n5.131184 -0.229970 0.000000\n2.038884 4.714362 0.000000\n0.000000 0.000000 5.829087\nLi Fe Cu O\n4 2 2 8\ndirect\n0.000000 0.500000 0.250013 Li\n0.500000 0.000000 0.749987 Li\n0.500000 0.500000 0.000014 Li\n0.000000 0.000000 0.499986 Li\n0.500001 0.500002 0.500012 Fe\n0.000002 0.000001 0.999995 Fe\n0.500000 0.000000 0.249987 Cu\n0.000000 0.499999 0.750001 Cu\n0.271178 0.771183 0.249998 O\n0.771205 0.271199 0.750003 O\n0.728821 0.228816 0.249999 O\n0.228794 0.728801 0.750003 O\n0.235917 0.235952 0.999980 O\n0.735952 0.735912 0.500021 O\n0.764083 0.764048 0.999980 O\n0.264048 0.264088 0.500021 O\n",
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],
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"density": 4.55788094715467,
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"volume": 143.74027833970354,
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}
]
}