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{
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{
"id": "mp-753863",
"created_at": "2022-09-04T14:47:14.019593Z",
"structure_string": "Li4 Ti4 S10\n1.0\n3.113264 5.275256 0.000000\n-3.113264 5.275256 0.000000\n0.000000 5.015322 10.811040\nLi Ti S\n4 4 10\ndirect\n0.824541 0.556148 0.175516 Li\n0.556148 0.824541 0.675516 Li\n0.443852 0.175459 0.324484 Li\n0.175459 0.443852 0.824484 Li\n0.249125 0.927362 0.057825 Ti\n0.072638 0.750875 0.442175 Ti\n0.927362 0.249125 0.557825 Ti\n0.750875 0.072638 0.942175 Ti\n0.714305 0.712180 0.460967 S\n0.712180 0.714305 0.960967 S\n0.979126 0.187453 0.362437 S\n0.356092 0.643908 0.250000 S\n0.812547 0.020874 0.137563 S\n0.187453 0.979126 0.862437 S\n0.643908 0.356092 0.750000 S\n0.020874 0.812547 0.637563 S\n0.287820 0.285695 0.039033 S\n0.285695 0.287820 0.539033 S\n",
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{
"id": "mp-756429",
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"structure_string": "Co6 O2 F10\n1.0\n4.692518 0.000000 0.000000\n-0.036420 5.699050 0.000000\n-0.045577 -0.201012 7.838643\nCo O F\n6 2 10\ndirect\n0.490955 0.513834 0.001356 Co\n0.465837 0.824463 0.329575 Co\n0.509336 0.168799 0.670084 Co\n0.018053 0.677645 0.650082 Co\n0.014618 0.348845 0.332135 Co\n0.018135 0.979335 0.013528 Co\n0.206132 0.638673 0.425272 O\n0.294172 0.794710 0.110748 O\n0.195645 0.971229 0.772230 F\n0.195129 0.288528 0.097470 F\n0.306555 0.467442 0.769735 F\n0.299391 0.134446 0.438949 F\n0.681110 0.863432 0.555743 F\n0.698048 0.529165 0.227784 F\n0.706423 0.197074 0.908350 F\n0.782973 0.024342 0.237068 F\n0.805283 0.707127 0.893039 F\n0.812204 0.370915 0.566853 F\n",
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"formula_full": "Co6 O2 F10",
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{
"id": "mp-1646972",
"created_at": "2022-09-04T14:47:14.027907Z",
"structure_string": "Ca10 Sc4 Co4 O24\n1.0\n6.360415 -0.084029 -0.354310\n-0.436820 6.551321 6.298102\n0.287338 -6.379342 6.677683\nCa Sc Co O\n10 4 4 24\ndirect\n0.249948 0.749896 0.132412 Ca\n0.251012 0.249935 0.636941 Ca\n0.115520 0.563460 0.816543 Ca\n0.108024 0.059553 0.319780 Ca\n0.391352 0.439478 0.319912 Ca\n0.385400 0.938042 0.817112 Ca\n0.624527 0.569960 0.674912 Ca\n0.621080 0.069486 0.181746 Ca\n0.879416 0.428639 0.182679 Ca\n0.875040 0.931671 0.674815 Ca\n0.250367 0.249911 0.002994 Sc\n0.248499 0.750514 0.494609 Sc\n0.749955 0.749853 0.000915 Sc\n0.751045 0.249490 0.511114 Sc\n0.492213 0.001539 0.498405 Co\n0.006816 0.498937 0.498478 Co\n0.500709 0.496880 0.996583 Co\n0.999840 0.002742 0.996464 Co\n0.974535 0.190528 0.118876 O\n0.968030 0.677261 0.604004 O\n0.525793 0.308583 0.119921 O\n0.530301 0.825006 0.603598 O\n0.041554 0.800590 0.894890 O\n0.050533 0.315266 0.406934 O\n0.458803 0.700042 0.894275 O\n0.448515 0.183515 0.407645 O\n0.929339 0.383903 0.661873 O\n0.922475 0.884111 0.157446 O\n0.577390 0.614931 0.157510 O\n0.575673 0.116866 0.662366 O\n0.297757 0.528014 0.563214 O\n0.292932 0.020846 0.059973 O\n0.207965 0.478823 0.060256 O\n0.201578 0.974103 0.563224 O\n0.717787 0.461122 0.437205 O\n0.720176 0.969739 0.934229 O\n0.779577 0.530229 0.933449 O\n0.780909 0.038084 0.435579 O\n0.396621 0.388962 0.833915 O\n0.387207 0.890105 0.331139 O\n0.109369 0.608021 0.331459 O\n0.104417 0.111365 0.833860 O\n",
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"formula_full": "Ca10 Sc4 Co4 O24",
"formula_reduced": "Ca5Sc2(CoO6)2",
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{
"id": "mp-754654",
"created_at": "2022-09-04T14:47:14.155220Z",
"structure_string": "Ni4 Sn4 O12\n1.0\n-2.431296 4.728609 0.000291\n-0.000176 -2.989481 4.396885\n6.393604 6.277506 4.267837\nNi Sn O\n4 4 12\ndirect\n0.646525 0.323268 0.030217 Ni\n0.353475 0.676732 0.969782 Ni\n0.646542 0.823277 0.530192 Ni\n0.353458 0.176723 0.469808 Ni\n0.853828 0.926937 0.219290 Sn\n0.853820 0.426933 0.719304 Sn\n0.146180 0.573067 0.280696 Sn\n0.146172 0.073063 0.780710 Sn\n0.950470 0.823605 0.625913 O\n0.950443 0.323592 0.125902 O\n0.550493 0.126889 0.625922 O\n0.550515 0.626875 0.125912 O\n0.752751 0.076334 0.874085 O\n0.752775 0.576370 0.374074 O\n0.247225 0.423630 0.625926 O\n0.247249 0.923666 0.125915 O\n0.449485 0.373125 0.874088 O\n0.449507 0.873111 0.374078 O\n0.049557 0.676408 0.874098 O\n0.049530 0.176395 0.374087 O\n",
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"elements": [
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"density": 6.4793061381278365,
"density_atomic": 0.08655505019578848,
"volume": 231.0668176468014,
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"formula_full": "Ni4 Sn4 O12",
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"formula_anonymous": "ABC3",
"energy": -133.04525214,
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{
"id": "mp-12776",
"created_at": "2022-09-04T14:47:14.330185Z",
"structure_string": "Tl1 Fe1 S2\n1.0\n-1.847839 1.847839 6.253389\n1.847839 -1.847839 6.253389\n1.847839 1.847839 -6.253389\nTl Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Fe\n0.665244 0.665244 0.000000 S\n0.334756 0.334756 0.000000 S\n",
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"formula_full": "Tl1 Fe1 S2",
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},
{
"id": "mp-1662514",
"created_at": "2022-09-04T14:47:14.387653Z",
"structure_string": "Li8 V6 Sn6 Te4 O32\n1.0\n3.141743 5.412977 0.017349\n-9.504556 5.459381 0.025109\n-0.006172 0.036255 10.132597\nLi V Sn Te O\n8 6 6 4 32\ndirect\n0.502532 0.168353 0.904313 Li\n0.002561 0.668362 0.904283 Li\n0.989316 0.002956 0.988095 Li\n0.489264 0.502936 0.988068 Li\n0.994051 0.999584 0.497956 Li\n0.493885 0.499486 0.497959 Li\n0.500108 0.833235 0.399701 Li\n0.000072 0.333232 0.399675 Li\n0.250707 0.585088 0.212349 V\n0.747561 0.912599 0.714694 V\n0.247422 0.412465 0.714647 V\n0.750588 0.085161 0.212400 V\n0.502760 0.668952 0.712223 V\n0.002897 0.168917 0.712255 V\n0.250793 0.913585 0.713470 Sn\n0.750724 0.413553 0.713511 Sn\n0.499443 0.333013 0.214859 Sn\n0.999497 0.833023 0.214882 Sn\n0.249079 0.085596 0.212894 Sn\n0.749061 0.585573 0.212895 Sn\n0.510103 0.155825 0.497253 Te\n0.010114 0.655787 0.497218 Te\n0.507118 0.832006 0.978387 Te\n0.007003 0.331903 0.978552 Te\n0.264650 0.243078 0.330554 O\n0.764710 0.743057 0.330582 O\n0.497590 0.168639 0.104507 O\n0.997607 0.668606 0.104529 O\n0.000751 0.999776 0.317580 O\n0.500776 0.499752 0.317549 O\n0.994365 0.994316 0.806732 O\n0.494303 0.494230 0.806644 O\n0.226225 0.927212 0.097725 O\n0.726233 0.427201 0.097749 O\n0.751532 0.072374 0.595889 O\n0.251434 0.572214 0.595831 O\n0.504807 0.841758 0.608606 O\n0.004729 0.341679 0.608562 O\n0.727697 0.767629 0.844560 O\n0.227668 0.267547 0.844543 O\n0.501934 0.340117 0.601847 O\n0.001894 0.840348 0.601841 O\n0.249605 0.075270 0.595116 O\n0.749479 0.575111 0.595049 O\n0.732030 0.239049 0.326367 O\n0.231939 0.739016 0.326376 O\n0.502886 0.019472 0.336105 O\n0.002830 0.519528 0.336281 O\n0.499194 0.979911 0.844262 O\n0.999141 0.479843 0.844175 O\n0.280768 0.761974 0.847213 O\n0.780691 0.261917 0.847238 O\n0.769554 0.929361 0.105342 O\n0.269480 0.429368 0.105409 O\n0.493546 0.649865 0.099206 O\n0.993588 0.149897 0.099165 O\n",
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{
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{
"id": "mp-764274",
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"structure_string": "V4 O4 F12\n1.0\n8.769181 0.000000 0.000000\n0.000000 8.769181 0.000000\n0.000000 0.000000 4.026689\nV O F\n4 4 12\ndirect\n0.872638 0.627362 0.185238 V\n0.372638 0.872638 0.814762 V\n0.627362 0.127362 0.814762 V\n0.127362 0.372638 0.185238 V\n0.880033 0.619967 0.784116 O\n0.380033 0.880033 0.215884 O\n0.619967 0.119967 0.215884 O\n0.119967 0.380033 0.784116 O\n0.094313 0.594313 0.269088 F\n0.677824 0.603983 0.269370 F\n0.396017 0.677824 0.730630 F\n0.896017 0.822176 0.269370 F\n0.177824 0.896017 0.730630 F\n0.594313 0.905687 0.730912 F\n0.405687 0.094313 0.730912 F\n0.822176 0.103983 0.730630 F\n0.103983 0.177824 0.269370 F\n0.603983 0.322176 0.730630 F\n0.322176 0.396017 0.269370 F\n0.905687 0.405687 0.269088 F\n",
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{
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{
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"formula_full": "Li4 V2 Fe2 O10",
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{
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{
"id": "mp-510285",
"created_at": "2022-09-04T14:47:11.508134Z",
"structure_string": "Ti33 Se12\n1.0\n1.720112 12.799523 0.000000\n-1.720112 12.799523 0.000000\n0.000000 9.007810 17.028337\nTi Se\n33 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.082862 0.082862 0.063308 Ti\n0.917138 0.917138 0.936692 Ti\n0.211324 0.211324 0.070278 Ti\n0.788676 0.788676 0.929722 Ti\n0.801170 0.801170 0.099749 Ti\n0.198830 0.198830 0.900251 Ti\n0.403168 0.403168 0.064754 Ti\n0.596832 0.596832 0.935246 Ti\n0.487609 0.487609 0.125332 Ti\n0.512391 0.512391 0.874668 Ti\n0.597647 0.597647 0.165788 Ti\n0.402353 0.402353 0.834212 Ti\n0.882251 0.882251 0.198529 Ti\n0.117749 0.117749 0.801471 Ti\n0.997303 0.997303 0.246213 Ti\n0.002697 0.002697 0.753787 Ti\n0.117767 0.117767 0.288735 Ti\n0.882233 0.882233 0.711265 Ti\n0.721907 0.721907 0.293662 Ti\n0.278093 0.278093 0.706338 Ti\n0.289342 0.289342 0.345560 Ti\n0.710658 0.710658 0.654440 Ti\n0.854737 0.854737 0.396442 Ti\n0.145263 0.145263 0.603558 Ti\n0.160362 0.160362 0.417179 Ti\n0.839638 0.839638 0.582821 Ti\n0.567996 0.567996 0.428485 Ti\n0.432004 0.432004 0.571515 Ti\n0.976217 0.976217 0.433330 Ti\n0.023783 0.023783 0.566670 Ti\n0.729448 0.729448 0.465601 Ti\n0.270552 0.270552 0.534399 Ti\n0.668406 0.668406 0.009848 Se\n0.331594 0.331594 0.990152 Se\n0.690790 0.690790 0.184986 Se\n0.309210 0.309210 0.815014 Se\n0.303542 0.303542 0.201311 Se\n0.696458 0.696458 0.798689 Se\n0.530893 0.530893 0.320362 Se\n0.469107 0.469107 0.679638 Se\n0.410181 0.410181 0.280748 Se\n0.589819 0.589819 0.719252 Se\n0.390708 0.390708 0.468135 Se\n0.609292 0.609292 0.531865 Se\n",
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"volume": 749.8126151547862,
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"formula_full": "Ti33 Se12",
"formula_reduced": "Ti11Se4",
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]
}