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{
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"structure_string": "Li4 Ti3 Fe3 Sb2 O16\n1.0\n5.837923 -0.014716 0.024690\n-2.906719 4.980924 0.056835\n-0.042589 -0.027467 10.054503\nLi Ti Fe Sb O\n4 3 3 2 16\ndirect\n0.669851 0.339713 0.899402 Li\n0.991117 0.982284 0.989516 Li\n-0.003398 -0.006800 0.494776 Li\n0.338580 0.677189 0.397189 Li\n0.350158 0.184717 0.214945 Ti\n0.834507 0.184718 0.214941 Ti\n0.176544 0.353083 0.718948 Ti\n0.173970 0.827262 0.722939 Fe\n0.653291 0.827263 0.722940 Fe\n0.819248 0.638536 0.204734 Fe\n0.672217 0.344439 0.508711 Sb\n0.336339 0.672714 0.990804 Sb\n0.158880 0.317806 0.088503 O\n0.150680 0.828559 0.094889 O\n0.337047 0.674086 0.606728 O\n0.484962 0.519203 0.845459 O\n0.034232 0.519201 0.845457 O\n0.846918 0.693830 0.619564 O\n0.988516 0.494500 0.320072 O\n0.513343 0.026729 0.319846 O\n0.842458 0.157690 0.613458 O\n-0.005277 -0.010549 0.811289 O\n-0.005116 -0.010186 0.302170 O\n0.657003 0.314059 0.094456 O\n0.484589 0.969188 0.837676 O\n0.315231 0.157685 0.613460 O\n0.505943 0.494497 0.320073 O\n0.677838 0.828558 0.094893 O\n",
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{
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"structure_string": "Li4 V2 H4 O2 F10\n1.0\n5.793814 -0.286755 0.058545\n1.934168 4.835033 0.134413\n0.707636 0.447280 7.653552\nLi V H O F\n4 2 4 2 10\ndirect\n0.703310 0.784445 0.445441 Li\n0.774529 0.667660 0.027625 Li\n0.236341 0.334982 -0.034192 Li\n0.307687 0.218153 0.547984 Li\n0.766147 0.226933 0.750044 V\n0.244779 0.775664 0.243384 V\n0.209468 0.909875 0.812112 H\n0.159748 0.805155 0.634473 H\n0.851202 0.197461 0.358981 H\n0.801455 0.092783 0.181337 H\n0.885303 0.032611 0.293046 O\n0.125649 0.970023 0.700387 O\n0.385823 0.001129 0.356027 F\n0.267964 0.970258 0.015761 F\n0.924873 0.448065 0.849520 F\n0.211242 0.590351 0.474964 F\n0.435666 0.457928 0.801406 F\n0.575229 0.544620 0.191983 F\n0.799660 0.412254 0.518453 F\n0.085998 0.554577 0.143895 F\n0.742961 0.032361 0.977665 F\n0.625164 0.001419 0.637399 F\n",
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{
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"created_at": "2022-09-04T14:37:59.680228Z",
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"structure_string": "Ba2 Nd2 Cu2 B2 O10\n1.0\n5.547599 -0.000000 0.000000\n-0.000000 5.547599 -0.000000\n-0.000000 -0.000000 7.577454\nBa Nd Cu B O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.510070 Ba\n0.000000 0.000000 0.510070 Ba\n0.500000 0.500000 0.003490 Nd\n0.000000 0.000000 0.003490 Nd\n0.000000 0.500000 0.780683 Cu\n0.500000 0.000000 0.780683 Cu\n0.500000 0.000000 0.266151 B\n0.000000 0.500000 0.266151 B\n0.247650 0.252350 0.797348 O\n0.252350 0.752350 0.797348 O\n0.655437 0.844563 0.178273 O\n0.844563 0.344563 0.178273 O\n0.344563 0.155437 0.178273 O\n0.000000 0.500000 0.449761 O\n0.155437 0.655437 0.178273 O\n0.752350 0.747650 0.797348 O\n0.500000 0.000000 0.449761 O\n0.747650 0.247650 0.797348 O\n",
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"structure_string": "Na4 Al2 P2 C2 O14\n1.0\n0.000000 5.136402 -0.022426\n6.361425 0.000000 0.000000\n0.000000 -0.235279 -8.831241\nNa Al P C O\n4 2 2 2 14\ndirect\n0.772547 0.508130 0.224404 Na\n0.772547 0.991871 0.224404 Na\n0.227452 0.491871 0.775596 Na\n0.227452 0.008129 0.775596 Na\n0.217786 0.250000 0.352313 Al\n0.782213 0.750001 0.647687 Al\n0.278836 0.750001 0.429780 P\n0.721164 0.250000 0.570220 P\n0.292440 0.250000 0.085435 C\n0.707559 0.750001 0.914565 C\n0.526884 0.750001 0.804950 O\n0.790917 0.052687 0.663083 O\n0.790917 0.447314 0.663083 O\n0.123681 0.750001 0.578378 O\n0.422415 0.250000 0.530389 O\n0.577585 0.750001 0.469612 O\n0.058547 0.250000 0.141242 O\n0.209082 0.552687 0.336917 O\n0.209082 0.947314 0.336917 O\n0.473115 0.250000 0.195051 O\n0.941453 0.750001 0.858758 O\n0.656158 0.750001 0.052464 O\n0.876319 0.250000 0.421623 O\n0.343841 0.250000 0.947536 O\n",
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347798 0.000000 -0.000000\n-1.673900 2.899265 -0.000001\n-0.000000 -0.000005 37.898862\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333351 0.666705 0.707753 Te\n0.333353 0.666707 0.607182 Te\n0.333311 0.666621 0.093929 Mo\n0.333311 0.666623 0.469646 W\n0.666686 0.333372 0.281815 W\n0.666689 0.333377 0.657553 W\n0.333352 0.666704 0.325961 Se\n0.666648 0.333294 0.050121 Se\n0.666646 0.333291 0.137856 Se\n0.333351 0.666703 0.237637 Se\n0.666648 0.333293 0.429470 S\n0.666647 0.333291 0.509824 S\n",
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],
"chemical_system": "Ag-F-H-I-O",
"density": 5.569283281999651,
"density_atomic": 0.06183859856227566,
"volume": 226.39581629426888,
"volume_molar": 9.738481951422777,
"formula_full": "Ag4 H4 I2 O2 F2",
"formula_reduced": "Ag2H2IOF",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 0.9485592253571432,
"spacegroup": 4
}
]
}