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"results": [
{
"id": "mp-673128",
"created_at": "2022-09-04T14:44:15.731531Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n5.210712 0.000000 0.000000\n0.017068 6.249012 0.000000\n0.109332 0.031750 10.505555\nLi Cu P O\n4 4 4 16\ndirect\n0.805190 0.024546 0.330335 Li\n0.333163 0.481284 0.167819 Li\n0.176939 0.012575 0.657090 Li\n0.805783 0.478159 0.334872 Li\n0.275046 0.748176 0.918833 Cu\n0.713131 0.004920 0.836146 Cu\n0.689027 0.479484 0.824473 Cu\n0.204848 0.751255 0.412469 Cu\n0.316352 0.249663 0.422925 P\n0.811250 0.750899 0.095356 P\n0.193481 0.252953 0.924002 P\n0.683477 0.751437 0.583355 P\n0.759997 0.543174 0.654221 O\n0.112325 0.729521 0.081653 O\n0.198581 0.454026 0.350074 O\n0.236324 0.254830 0.561463 O\n0.387337 0.775688 0.578653 O\n0.891947 0.254571 0.903896 O\n0.800774 0.940639 0.661584 O\n0.299655 0.457932 0.849462 O\n0.191374 0.044929 0.357894 O\n0.272392 0.250306 0.059559 O\n0.699298 0.552556 0.159971 O\n0.291286 0.049086 0.846683 O\n0.797349 0.749155 0.445956 O\n0.710018 0.751834 0.947390 O\n0.738716 0.958957 0.158424 O\n0.605800 0.249624 0.397613 O\n",
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{
"id": "mp-1304002",
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"structure_string": "Li8 Ni6 Bi2 O16\n1.0\n-5.222784 -1.578044 2.601105\n-1.776166 -10.058341 -2.586925\n5.225107 -1.594177 2.584873\nLi Ni Bi O\n8 6 2 16\ndirect\n0.500053 0.750371 0.749413 Li\n0.500116 0.250503 0.249257 Li\n0.998503 0.251009 0.750570 Li\n0.999821 0.750354 0.250015 Li\n0.500635 0.499730 0.500554 Li\n0.501229 0.999238 0.001529 Li\n0.999736 0.499671 0.999613 Li\n0.999304 0.999208 0.499532 Li\n0.500529 0.749737 0.249961 Ni\n0.000144 0.749786 0.749648 Ni\n0.499809 0.000605 0.500023 Ni\n0.500374 0.249656 0.750014 Ni\n0.000162 0.249679 0.249812 Ni\n0.499661 0.500447 0.000128 Ni\n0.000456 0.999700 0.000090 Bi\n0.000421 0.499674 0.500038 Bi\n0.269494 0.123448 0.607100 O\n0.269620 0.623140 0.107312 O\n0.729163 0.377246 0.893300 O\n0.729404 0.877407 0.392976 O\n0.752488 0.628670 0.618930 O\n0.752373 0.128737 0.118926 O\n0.253629 0.877506 0.373934 O\n0.253527 0.377536 0.874011 O\n0.748609 0.877558 0.868846 O\n0.748488 0.377570 0.368873 O\n0.251431 0.622435 0.631061 O\n0.251141 0.122620 0.130826 O\n0.746601 0.622404 0.126099 O\n0.746644 0.122592 0.626232 O\n0.248217 0.870900 0.880678 O\n0.248215 0.370861 0.380699 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Bi-Li-Ni-O",
"density": 5.693197333654422,
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"volume": 315.4826201375828,
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"formula_full": "Li8 Ni6 Bi2 O16",
"formula_reduced": "Li4Ni3BiO8",
"formula_anonymous": "AB3C4D8",
"energy": -188.48056046,
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"spacegroup": 12
},
{
"id": "mp-561255",
"created_at": "2022-09-04T14:44:14.638849Z",
"structure_string": "Zn2 Bi12 P4 O28 F4\n1.0\n2.851148 8.502479 0.000000\n-2.851148 8.502479 0.000000\n0.000000 5.482873 15.991370\nZn Bi P O F\n2 12 4 28 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.269744 0.139535 0.828532 Bi\n0.860465 0.730256 0.671468 Bi\n0.455160 0.672215 0.330322 Bi\n0.730256 0.860465 0.171468 Bi\n0.139535 0.269744 0.328532 Bi\n0.973357 0.821401 0.825041 Bi\n0.672215 0.455160 0.830322 Bi\n0.327785 0.544840 0.169678 Bi\n0.544840 0.327785 0.669678 Bi\n0.178599 0.026643 0.674959 Bi\n0.026643 0.178599 0.174959 Bi\n0.821401 0.973357 0.325041 Bi\n0.388738 0.356569 0.990710 P\n0.611262 0.643431 0.009290 P\n0.643431 0.611262 0.509290 P\n0.356569 0.388738 0.490710 P\n0.343428 0.832992 0.051171 O\n0.868939 0.472823 0.242710 O\n0.624211 0.228040 0.454631 O\n0.635563 0.688204 0.913416 O\n0.967920 0.893575 0.111901 O\n0.131061 0.527177 0.757290 O\n0.815782 0.184218 0.750000 O\n0.228040 0.624211 0.954631 O\n0.364437 0.311796 0.086584 O\n0.641610 0.021748 0.759366 O\n0.032080 0.106425 0.888099 O\n0.375789 0.771960 0.545369 O\n0.472823 0.868939 0.742710 O\n0.688204 0.635563 0.413416 O\n0.527177 0.131061 0.257290 O\n0.167008 0.656572 0.448829 O\n0.978252 0.358390 0.740634 O\n0.771960 0.375789 0.045369 O\n0.893575 0.967920 0.611901 O\n0.832992 0.343428 0.551171 O\n0.656572 0.167008 0.948829 O\n0.021748 0.641610 0.259366 O\n0.106425 0.032080 0.388099 O\n0.358390 0.978252 0.240634 O\n0.184218 0.815782 0.250000 O\n0.298762 0.701238 0.750000 O\n0.311796 0.364437 0.586584 O\n0.701238 0.298762 0.250000 O\n0.691275 0.727218 0.537367 F\n0.727218 0.691275 0.037367 F\n0.272782 0.308725 0.962633 F\n0.308725 0.272782 0.462633 F\n",
"nsites": 50,
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"elements": [
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"O",
"F"
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"density": 7.038753325735663,
"density_atomic": 0.0644894996160216,
"volume": 775.3200179518548,
"volume_molar": 9.338172564303592,
"formula_full": "Zn2 Bi12 P4 O28 F4",
"formula_reduced": "ZnBi6P2(O7F)2",
"formula_anonymous": "AB2C2D6E14",
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"updated_at": "2021-11-28T01:36:31.137000Z",
"spacegroup": 15
},
{
"id": "mp-760185",
"created_at": "2022-09-04T14:44:17.267270Z",
"structure_string": "W8 O8 F32\n1.0\n5.120765 0.000000 0.000000\n0.000000 11.078908 0.000000\n0.000000 7.219535 14.555495\nW O F\n8 8 32\ndirect\n0.575007 0.418899 0.920951 W\n0.075007 0.581101 0.579049 W\n0.516034 0.082567 0.329147 W\n0.016034 0.917433 0.170853 W\n0.983966 0.082567 0.829147 W\n0.483966 0.917433 0.670853 W\n0.924993 0.418899 0.420951 W\n0.424993 0.581101 0.079049 W\n0.698823 0.820424 0.645215 O\n0.288051 0.686259 0.597240 O\n0.788051 0.313741 0.902760 O\n0.198823 0.179576 0.854785 O\n0.801177 0.820424 0.145215 O\n0.211949 0.686259 0.097240 O\n0.711949 0.313741 0.402760 O\n0.301177 0.179576 0.354785 O\n0.743824 0.586583 0.856992 F\n0.707929 0.424726 0.031444 F\n0.825788 0.703811 0.501147 F\n0.763872 0.206657 0.251017 F\n0.337588 0.470851 0.823102 F\n0.837588 0.529149 0.676898 F\n0.765717 0.028126 0.424072 F\n0.325788 0.296189 0.998853 F\n0.363338 0.083446 0.220667 F\n0.243824 0.413417 0.643008 F\n0.370595 0.908686 0.391073 F\n0.870595 0.091314 0.108927 F\n0.792071 0.424726 0.531444 F\n0.863338 0.916554 0.279333 F\n0.736128 0.206657 0.751017 F\n0.265717 0.971874 0.075928 F\n0.734283 0.028126 0.924072 F\n0.263872 0.793343 0.248983 F\n0.136662 0.083446 0.720667 F\n0.207929 0.575274 0.468556 F\n0.129405 0.908686 0.891073 F\n0.629405 0.091314 0.608927 F\n0.756176 0.586583 0.356992 F\n0.636662 0.916554 0.779333 F\n0.674212 0.703811 0.001147 F\n0.234283 0.971874 0.575928 F\n0.162412 0.470851 0.323102 F\n0.662412 0.529149 0.176898 F\n0.236128 0.793343 0.748983 F\n0.174212 0.296189 0.498853 F\n0.292071 0.575274 0.968556 F\n0.256176 0.413417 0.143008 F\n",
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"formula_full": "W8 O8 F32",
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"spacegroup": 14
},
{
"id": "mp-1210664",
"created_at": "2022-09-04T14:44:15.760120Z",
"structure_string": "Lu8 Co2\n1.0\n0.000000 5.180218 5.180218\n5.180218 0.000000 5.180218\n5.180218 5.180218 0.000000\nLu Co\n8 2\ndirect\n0.385577 0.385577 0.385577 Lu\n0.385577 0.385577 0.843270 Lu\n0.385577 0.843270 0.385577 Lu\n0.864423 0.864423 0.406730 Lu\n0.864423 0.864423 0.864423 Lu\n0.843270 0.385577 0.385577 Lu\n0.864423 0.406730 0.864423 Lu\n0.406730 0.864423 0.864423 Lu\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n",
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"elements": [
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{
"id": "mp-759538",
"created_at": "2022-09-04T14:44:19.105420Z",
"structure_string": "Li14 Mn14 F42\n1.0\n7.006260 0.000000 0.000000\n-0.213764 7.996172 0.000000\n-1.987864 -0.423188 16.514620\nLi Mn F\n14 14 42\ndirect\n0.781136 0.162578 0.031985 Li\n0.881589 0.781742 0.755635 Li\n0.745870 0.710936 0.567307 Li\n0.676152 0.549975 0.308729 Li\n0.568005 0.464333 0.119538 Li\n0.677569 0.079233 0.837336 Li\n0.508032 0.157907 0.599085 Li\n0.491968 0.842093 0.400915 Li\n0.322431 0.920767 0.162664 Li\n0.431995 0.535667 0.880462 Li\n0.323848 0.450025 0.691271 Li\n0.254130 0.289064 0.432693 Li\n0.118411 0.218258 0.244365 Li\n0.218864 0.837422 0.968015 Li\n0.945644 0.956992 0.391578 Mn\n0.828533 0.860598 0.186331 Mn\n0.951606 0.456548 0.900722 Mn\n0.764004 0.299597 0.487835 Mn\n0.834168 0.380726 0.693736 Mn\n0.573785 0.182468 0.283540 Mn\n0.701768 0.812105 0.959592 Mn\n0.298232 0.187895 0.040408 Mn\n0.426215 0.817532 0.716460 Mn\n0.165832 0.619274 0.306264 Mn\n0.235996 0.700403 0.512165 Mn\n0.048394 0.543452 0.099278 Mn\n0.171467 0.139402 0.813669 Mn\n0.054356 0.043008 0.608422 Mn\n0.987765 0.319790 0.018543 F\n0.925365 0.066167 0.274490 F\n0.962600 0.834362 0.520308 F\n0.845309 0.945920 0.071568 F\n0.878270 0.726452 0.311503 F\n0.940691 0.561313 0.779539 F\n0.771790 0.628063 0.119644 F\n0.844558 0.489443 0.575807 F\n0.870041 0.233960 0.807528 F\n0.749833 0.359867 0.370356 F\n0.785031 0.145928 0.598157 F\n0.583775 0.252806 0.076677 F\n0.578704 0.402927 0.226000 F\n0.686391 0.789753 0.667830 F\n0.758679 0.855643 0.838597 F\n0.665426 0.025001 0.396643 F\n0.640137 0.070155 0.942065 F\n0.568072 0.946222 0.223772 F\n0.686082 0.519705 0.926192 F\n0.523194 0.726518 0.497943 F\n0.456253 0.660339 0.327503 F\n0.543747 0.339661 0.672497 F\n0.476806 0.273482 0.502057 F\n0.313918 0.480295 0.073808 F\n0.431928 0.053778 0.776228 F\n0.359863 0.929845 0.057935 F\n0.334574 0.974999 0.603357 F\n0.241321 0.144357 0.161403 F\n0.313609 0.210247 0.332170 F\n0.421296 0.597073 0.774000 F\n0.416225 0.747194 0.923323 F\n0.214969 0.854072 0.401843 F\n0.250167 0.640133 0.629644 F\n0.129959 0.766040 0.192472 F\n0.155442 0.510557 0.424193 F\n0.228210 0.371937 0.880356 F\n0.059309 0.438687 0.220461 F\n0.121730 0.273548 0.688497 F\n0.154691 0.054080 0.928432 F\n0.037400 0.165638 0.479692 F\n0.074635 0.933833 0.725510 F\n0.012235 0.680210 0.981457 F\n",
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"formula_full": "Li14 Mn14 F42",
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{
"id": "mp-1026434",
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"structure_string": "Mg14 Ti1 Cr1\n1.0\n6.323919 0.000000 0.000000\n-3.161960 5.476674 0.000000\n-0.000000 -0.000000 10.109822\nMg Ti Cr\n14 1 1\ndirect\n0.170316 0.835158 0.125000 Mg\n0.167454 0.833727 0.625000 Mg\n0.664842 0.329684 0.125000 Mg\n0.666273 0.332546 0.625000 Mg\n0.664842 0.835158 0.125000 Mg\n0.666273 0.833727 0.625000 Mg\n0.328638 0.171362 0.375213 Mg\n0.328638 0.171362 0.874787 Mg\n0.328638 0.657276 0.375213 Mg\n0.328638 0.657276 0.874787 Mg\n0.842724 0.171362 0.375213 Mg\n0.842724 0.171362 0.874787 Mg\n0.833333 0.666667 0.373513 Mg\n0.833333 0.666667 0.876487 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 Cr\n",
"nsites": 16,
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{
"id": "mp-1183116",
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"structure_string": "Ac6 Zn2\n1.0\n3.833477 -6.639776 0.000000\n3.833477 6.639776 0.000000\n0.000000 0.000000 5.797853\nAc Zn\n6 2\ndirect\n0.176046 0.352091 0.250000 Ac\n0.647909 0.823954 0.250000 Ac\n0.176046 0.823954 0.250000 Ac\n0.823954 0.647909 0.750000 Ac\n0.352091 0.176046 0.750000 Ac\n0.823954 0.176046 0.750000 Ac\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
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