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{
"id": "jvasp-54799",
"created_at": "2022-09-04T14:38:16.443776Z",
"updated_at": "2022-09-04T14:38:16.443809Z",
"structure_string": "Er3 Mn3 Ga2 Si1\n1.0\n3.491833 -6.048032 -0.000000\n3.491833 6.048032 -0.000000\n0.000000 0.000000 3.898021\nEr Mn Ga Si\n3 3 2 1\ndirect\n-0.000000 0.592121 0.500000 Er\n0.592121 -0.000000 0.500000 Er\n0.407879 0.407879 0.500000 Er\n0.219892 -0.000000 0.000000 Mn\n-0.000000 0.219892 0.000000 Mn\n0.780107 0.780107 0.000000 Mn\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
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{
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"structure_string": "Ho3 Mn3 Ga2 Ge1\n1.0\n6.889747 0.000000 0.000000\n-3.444874 5.966696 0.000000\n-0.000000 -0.000000 4.113148\nHo Mn Ga Ge\n3 3 2 1\ndirect\n0.420755 0.419323 0.500000 Ho\n0.580677 0.001431 0.500000 Ho\n0.998569 0.579246 0.500000 Ho\n0.777927 0.773428 -0.000000 Mn\n0.226572 0.004498 -0.000000 Mn\n0.995502 0.222074 -0.000000 Mn\n0.333334 0.666667 -0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n",
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{
"id": "jvasp-110594",
"created_at": "2022-09-04T14:38:38.408593Z",
"updated_at": "2022-09-04T14:38:38.408620Z",
"structure_string": "Dy3 Mn3 Ga2 Si1\n1.0\n6.893729 -0.000000 -0.000000\n-3.446863 5.970144 -0.000000\n-0.000000 0.000000 4.151949\nDy Mn Ga Si\n3 3 2 1\ndirect\n0.002733 0.423701 0.500000 Dy\n0.576299 0.579031 0.500000 Dy\n0.420969 0.997267 0.500000 Dy\n0.010839 0.776679 0.000000 Mn\n0.223321 0.234159 0.000000 Mn\n0.765841 0.989161 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Si\n",
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"density_atomic": 0.05266856501369371,
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"formula_full": "Dy3 Mn3 Ga2 Si1",
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"formula_anonymous": "AB2C3D3",
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"spacegroup": 174
},
{
"id": "jvasp-62899",
"created_at": "2022-09-04T14:35:52.695683Z",
"updated_at": "2022-09-04T14:35:52.695720Z",
"structure_string": "K4 B2 C6 N6\n1.0\n0.000000 5.333068 6.622276\n4.489197 0.000000 6.622276\n4.489197 5.333068 0.000000\nK B C N\n4 2 6 6\ndirect\n0.204220 0.384609 0.624825 K\n0.365392 0.545781 0.963652 K\n0.125176 0.963652 0.545780 K\n0.786349 0.624825 0.384608 K\n0.788122 0.211879 0.211879 B\n0.538121 0.961880 0.961879 B\n0.916095 0.971904 0.287067 C\n0.778097 0.833907 0.925065 C\n0.462933 0.925065 0.833906 C\n0.370742 0.129258 0.129258 C\n0.620742 0.379258 0.379258 C\n0.824936 0.287067 0.971904 C\n0.964944 0.731522 0.904386 N\n0.488606 0.511395 0.511394 N\n0.238606 0.261394 0.261394 N\n0.845614 0.350851 0.785057 N\n0.018479 0.785057 0.350851 N\n0.399149 0.904387 0.731521 N\n",
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"elements": [
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"formula_full": "K4 B2 C6 N6",
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},
{
"id": "jvasp-18248",
"created_at": "2022-09-04T14:37:27.058616Z",
"updated_at": "2022-09-04T14:37:27.058636Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n3.530215 -6.114511 0.000000\n3.530215 6.114511 -0.000000\n-0.000000 0.000000 3.965063\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.407905 0.407905 0.500000 Tb\n0.592094 -0.000000 0.500000 Tb\n-0.000000 0.592094 0.500000 Tb\n0.217554 -0.000000 0.000000 Mn\n-0.000000 0.217554 0.000000 Mn\n0.782445 0.782445 0.000000 Mn\n0.666666 0.333332 0.000000 Ga\n0.333332 0.666666 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
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"formula_full": "Tb3 Mn3 Ga2 Si1",
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},
{
"id": "jvasp-42458",
"created_at": "2022-09-04T14:37:29.518014Z",
"updated_at": "2022-09-04T14:37:29.518042Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n4.996811 -0.024065 0.001560\n2.339293 4.423479 -0.002597\n0.628263 0.187146 13.324195\nLi V O F\n3 6 9 9\ndirect\n0.647994 0.674062 0.884384 Li\n0.964061 0.030852 0.217285 Li\n0.314336 0.355453 0.551901 Li\n0.673287 0.685690 0.670285 V\n0.625360 0.681337 0.157952 V\n0.025717 0.973870 0.001841 V\n0.367761 0.297926 0.825479 V\n0.318286 0.377580 0.337528 V\n0.016570 0.987783 0.492802 V\n0.088237 0.265700 0.421617 O\n0.270536 0.058771 0.913787 O\n0.261865 0.681125 0.415268 O\n0.327393 0.734475 0.082383 O\n0.433613 0.582610 0.756124 O\n0.602785 0.394164 0.248537 O\n0.613216 0.993264 0.750105 O\n0.749676 0.910071 0.085011 O\n0.937938 0.727683 0.581246 O\n0.014384 0.378612 0.746690 F\n0.949593 0.321338 0.088700 F\n0.690223 0.344298 0.579015 F\n0.346880 0.013450 0.246619 F\n0.662580 0.294656 0.922526 F\n0.325420 0.974218 0.587875 F\n0.662084 0.067056 0.416149 F\n0.028418 0.665222 0.911040 F\n0.983050 0.648186 0.253689 F\n",
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"formula_full": "Li3 V6 O9 F9",
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{
"id": "jvasp-51685",
"created_at": "2022-09-04T14:37:27.048931Z",
"updated_at": "2022-09-04T14:37:27.048958Z",
"structure_string": "Cu4 H6 Cl2 O6\n1.0\n3.480119 2.009247 4.616139\n-3.480119 2.009247 4.616139\n-0.000000 -4.018494 4.616139\nCu H Cl O\n4 6 2 6\ndirect\n0.500001 0.500001 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 0.499999 Cu\n0.000000 0.500000 0.499999 Cu\n0.821146 0.221268 0.221267 H\n0.221268 0.221268 0.821144 H\n0.221268 0.821146 0.221267 H\n0.778733 0.178855 0.778732 H\n0.778733 0.778733 0.178854 H\n0.178855 0.778733 0.778732 H\n0.820779 0.820779 0.820777 Cl\n0.179222 0.179222 0.179221 Cl\n0.267213 0.267213 0.640142 O\n0.359858 0.732788 0.732786 O\n0.732788 0.732788 0.359856 O\n0.732788 0.359858 0.732786 O\n0.640143 0.267213 0.267212 O\n0.267213 0.640143 0.267212 O\n",
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{
"id": "jvasp-12578",
"created_at": "2022-09-04T14:37:11.639229Z",
"updated_at": "2022-09-04T14:37:11.639254Z",
"structure_string": "K2 Li4 H6 O6\n1.0\n0.000000 5.127244 -0.214047\n5.553222 0.000000 0.000000\n0.000000 -0.419879 -6.962547\nK Li H O\n2 4 6 6\ndirect\n0.778693 0.250000 0.499522 K\n0.221307 0.750000 0.500479 K\n0.637233 0.549066 0.134627 Li\n0.637233 0.950933 0.134627 Li\n0.362766 0.450933 0.865374 Li\n0.362766 0.049067 0.865374 Li\n0.787947 0.250000 0.936450 H\n0.212052 0.750000 0.063551 H\n0.833741 0.750000 0.805239 H\n0.166258 0.250000 0.194762 H\n0.776048 0.750000 0.704345 H\n0.223952 0.250000 0.295656 H\n0.907945 0.750000 0.208075 O\n0.092054 0.250000 0.791926 O\n0.700849 0.750000 0.365568 O\n0.375522 0.750000 0.991508 O\n0.299150 0.250000 0.634433 O\n0.624477 0.250000 0.008493 O\n",
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"formula_full": "K2 Li4 H6 O6",
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},
{
"id": "jvasp-42812",
"created_at": "2022-09-04T14:36:10.222611Z",
"updated_at": "2022-09-04T14:36:10.222636Z",
"structure_string": "Li6 V2 O6 F4\n1.0\n5.297428 -0.091535 0.080437\n-2.206725 4.816792 -0.080437\n-1.024225 0.669926 7.863803\nLi V O F\n6 2 6 4\ndirect\n0.246530 0.428312 0.565387 Li\n0.427200 0.205370 0.928971 Li\n0.571689 0.753471 0.065388 Li\n0.794632 0.572800 0.428972 Li\n0.622028 0.029085 0.369662 Li\n0.970917 0.377973 0.869662 Li\n0.171083 0.175110 0.245767 V\n0.824891 0.828918 0.745766 V\n0.861439 0.876936 0.253790 O\n0.741955 0.579929 0.912836 O\n0.420073 0.258046 0.412836 O\n0.123064 0.138563 0.753790 O\n0.224115 0.404899 0.071173 O\n0.595102 0.775886 0.571172 O\n0.641777 0.018281 0.867103 F\n0.006230 0.621050 0.652031 F\n0.378952 0.993770 0.152031 F\n0.981721 0.358224 0.367103 F\n",
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{
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"structure_string": "H3 C3 S2 N1\n1.0\n4.814992 0.006752 0.590020\n0.298962 4.490295 2.479586\n-0.017988 0.010648 5.138572\nH C S N\n3 3 2 1\ndirect\n0.877742 0.600828 0.697556 H\n0.401816 0.731598 0.763585 H\n0.926063 0.797373 0.891467 H\n0.901953 0.573139 0.921012 C\n0.638694 0.457023 0.118089 C\n0.165145 0.376593 0.037738 C\n0.624549 0.284095 0.483426 S\n0.179209 0.011208 0.210787 S\n0.401817 0.534009 0.961027 N\n",
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{
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"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.204608 -0.000000 0.000000\n0.000000 7.105902 -4.102145\n-0.000000 -0.000170 8.204530\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.500000 0.610682 0.000002 Ho\n0.500000 0.389295 0.389308 Ho\n0.500000 0.999989 0.610710 Ho\n-0.000000 0.230965 0.000002 Er\n-0.000000 0.769031 0.769044 Er\n0.000000 -0.000011 0.230972 Er\n0.500000 0.000000 -0.000004 Mn\n-0.000000 0.333335 0.666672 Bi\n-0.000000 0.666644 0.333333 Bi\n",
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"formula_full": "Ho3 Er3 Mn1 Bi2",
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{
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"structure_string": "Yb3 In3 Ge2 Au1\n1.0\n3.691238 -6.393412 -0.000000\n3.691238 6.393412 -0.000000\n0.000000 -0.000000 4.413830\nYb In Ge Au\n3 3 2 1\ndirect\n0.414434 0.414434 0.500000 Yb\n0.585566 0.000000 0.500000 Yb\n0.000000 0.585566 0.500000 Yb\n0.747156 0.747156 0.000000 In\n0.252844 0.000000 0.000000 In\n0.000000 0.252844 0.000000 In\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.000000 0.500000 Au\n",
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}