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{
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{
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{
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{
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"structure_string": "Mn4 Cu3 Bi1 O12\n1.0\n-3.742395 -3.744388 3.729803\n-3.744455 3.745983 -3.730268\n3.743990 -3.745005 -3.728825\nMn Cu Bi O\n4 3 1 12\ndirect\n0.499998 0.499994 0.499996 Mn\n0.500001 0.999999 0.999999 Mn\n0.999996 0.500005 0.999996 Mn\n0.999997 0.000000 0.499998 Mn\n0.499995 0.500001 0.000001 Cu\n0.500023 0.999999 0.500025 Cu\n0.000002 0.499999 0.500000 Cu\n0.000000 0.000000 0.999999 Bi\n0.829505 0.690676 0.520413 O\n0.170493 0.309325 0.479585 O\n0.170404 0.690803 0.861170 O\n0.829594 0.309198 0.138828 O\n0.690250 0.520266 0.830051 O\n0.309748 0.479734 0.169947 O\n0.690362 0.860259 0.170087 O\n0.309636 0.139741 0.829910 O\n0.520613 0.829478 0.691142 O\n0.479385 0.170523 0.308855 O\n0.138335 0.829451 0.308876 O\n0.861662 0.170550 0.691121 O\n",
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"elements": [
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{
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"formula_full": "Na4 Li2 Mn2 P2 C2 O14",
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"spacegroup": 11
},
{
"id": "mp-1111742",
"created_at": "2022-09-04T14:40:41.044826Z",
"structure_string": "Na2 Hg1 As1 Br6\n1.0\n0.000000 5.563767 5.563767\n5.563767 0.000000 5.563767\n5.563767 5.563767 0.000000\nNa Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.760191 0.239808 0.239808 Br\n0.239808 0.239809 0.760191 Br\n0.239808 0.760191 0.760191 Br\n0.239808 0.760192 0.239809 Br\n0.760191 0.239808 0.760192 Br\n0.760191 0.760192 0.239808 Br\n",
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"density_atomic": 0.029031080600041392,
"volume": 344.45841468215076,
"volume_molar": 20.743770591823626,
"formula_full": "Na2 Hg1 As1 Br6",
"formula_reduced": "Na2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -27.71922161,
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"updated_at": "2021-11-28T01:35:03.930000Z",
"spacegroup": 225
},
{
"id": "mp-1095821",
"created_at": "2022-09-04T14:40:41.050694Z",
"structure_string": "Ti2 Cr1 Co1\n1.0\n-4.946828 5.263248 7.399021\n4.946828 -5.263248 7.399021\n4.946828 5.263248 -7.399021\nTi Cr Co\n2 1 1\ndirect\n0.000000 0.292079 0.292079 Ti\n0.000000 0.707921 0.707921 Ti\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.4453459951384875,
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"volume": 770.5749658152095,
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"formula_full": "Ti2 Cr1 Co1",
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"updated_at": "2021-11-28T01:35:06.659000Z",
"spacegroup": 71
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{
"id": "mp-684724",
"created_at": "2022-09-04T14:40:41.012418Z",
"structure_string": "Fe4 H16 S8 N4 O32\n1.0\n-2.560902 4.189232 -0.001565\n-4.693532 0.011156 10.210031\n11.611326 4.198390 4.689856\nFe H S N O\n4 16 8 4 32\ndirect\n0.250402 0.248244 0.748871 Fe\n0.000193 0.998200 0.998492 Fe\n0.499981 0.498200 0.498581 Fe\n0.750258 0.748227 0.248871 Fe\n0.614745 0.698015 0.927327 H\n0.864568 0.947984 0.677324 H\n0.364579 0.447962 0.177318 H\n0.114737 0.198032 0.427307 H\n0.772648 0.631983 0.830871 H\n0.022475 0.882142 0.580789 H\n0.522489 0.382112 0.080780 H\n0.272684 0.131956 0.330867 H\n0.425890 0.632236 0.830541 H\n0.675694 0.882328 0.580478 H\n0.175702 0.382299 0.080472 H\n0.925903 0.132205 0.330534 H\n0.685514 0.545522 0.917340 H\n0.935451 0.795555 0.667181 H\n0.435454 0.295539 0.167172 H\n0.185516 0.045539 0.417352 H\n0.683087 0.213346 0.580937 S\n0.932906 0.463177 0.330604 S\n0.432940 0.963165 0.830593 S\n0.182859 0.713332 0.080937 S\n0.567847 0.033545 0.167032 S\n0.817479 0.284001 0.917123 S\n0.317419 0.784025 0.417126 S\n0.067502 0.533842 0.666994 S\n0.624737 0.626438 0.876162 N\n0.874595 0.876495 0.626061 N\n0.374604 0.376470 0.126055 N\n0.124742 0.126441 0.376156 N\n0.696800 0.111761 0.508691 O\n0.948711 0.361541 0.258383 O\n0.448704 0.861545 0.758372 O\n0.196710 0.611746 0.008698 O\n0.552674 0.136900 0.240717 O\n0.802032 0.387665 0.990528 O\n0.302014 0.887684 0.490533 O\n0.052471 0.637322 0.740567 O\n0.714888 0.325578 0.530565 O\n0.964713 0.575372 0.280275 O\n0.464725 0.075370 0.780267 O\n0.214858 0.825540 0.030566 O\n0.916104 0.183408 0.673331 O\n0.165358 0.433484 0.423164 O\n0.665341 0.933472 0.923154 O\n0.415598 0.683408 0.173364 O\n0.402993 0.240148 0.616652 O\n0.652065 0.489704 0.365980 O\n0.152059 0.989704 0.865965 O\n0.902843 0.740174 0.116695 O\n0.846514 0.010521 0.132074 O\n0.096731 0.260729 0.882513 O\n0.596710 0.760712 0.382544 O\n0.346140 0.510840 0.632046 O\n0.332228 0.064699 0.076863 O\n0.582236 0.315293 0.826727 O\n0.082206 0.815310 0.326728 O\n0.832025 0.564832 0.576783 O\n0.539864 0.923068 0.219381 O\n0.788874 0.173720 0.969631 O\n0.288744 0.673772 0.469628 O\n0.039468 0.423418 0.719368 O\n",
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}
]
}