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{
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"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
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{
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"updated_at": "2022-09-04T14:37:16.128415Z",
"structure_string": "Rb4 Ta2 Cu2 S8\n1.0\n5.455859 -0.000000 1.280368\n2.727930 6.717892 0.640184\n0.025395 -0.000000 12.156127\nRb Ta Cu S\n4 2 2 8\ndirect\n0.803380 0.750000 0.393241 Rb\n0.446621 0.750000 0.106758 Rb\n0.196621 0.250000 0.606759 Rb\n0.553380 0.250000 0.893242 Rb\n0.625001 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125001 0.750000 0.750000 Cu\n0.875000 0.250000 0.250000 Cu\n0.090840 0.447256 0.139738 S\n0.177834 0.052744 0.360262 S\n0.822167 0.947255 0.639738 S\n0.909161 0.552744 0.860262 S\n0.230579 0.947255 0.860262 S\n0.538097 0.552744 0.639738 S\n0.461905 0.447256 0.360262 S\n0.769422 0.052744 0.139738 S\n",
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{
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{
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"structure_string": "Ca8 Mn4 Ga4 O20\n1.0\n5.349898 -0.000003 -0.000001\n0.000003 5.580949 0.000004\n0.000001 -0.000007 14.917796\nCa Mn Ga O\n8 4 4 20\ndirect\n0.018507 0.525284 0.608554 Ca\n0.981488 0.474717 0.108555 Ca\n0.518508 0.974717 0.608554 Ca\n0.481488 0.025284 0.108556 Ca\n0.518511 0.974716 0.891445 Ca\n0.018509 0.525284 0.891445 Ca\n0.981488 0.474717 0.391445 Ca\n0.481490 0.025283 0.391446 Ca\n0.000000 -0.000002 0.500000 Mn\n0.499999 0.499998 0.500000 Mn\n0.499998 0.499999 -0.000000 Mn\n-0.000001 0.000001 0.000000 Mn\n0.047025 0.065664 0.749999 Ga\n0.952976 0.934339 0.250001 Ga\n0.547026 0.434337 0.750000 Ga\n0.452976 0.565664 0.250000 Ga\n0.738018 0.763455 0.015059 O\n0.901914 0.379023 0.750000 O\n0.965324 0.925952 0.642124 O\n0.465325 0.574052 0.642125 O\n0.098088 0.620980 0.250001 O\n0.261981 0.236544 0.984941 O\n0.034679 0.074052 0.357876 O\n0.761981 0.263454 0.984941 O\n0.238020 0.736548 0.484940 O\n0.965323 0.925948 0.857873 O\n0.238016 0.736545 0.015059 O\n0.738021 0.763451 0.484940 O\n0.598090 0.879021 0.250001 O\n0.534677 0.425946 0.357875 O\n0.261976 0.236549 0.515060 O\n0.401914 0.120979 0.750000 O\n0.034680 0.074053 0.142128 O\n0.465326 0.574051 0.857875 O\n0.761976 0.263449 0.515058 O\n0.534676 0.425950 0.142126 O\n",
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{
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"created_at": "2022-09-04T14:38:48.386380Z",
"updated_at": "2022-09-04T14:38:48.386410Z",
"structure_string": "Th6 In10\n1.0\n6.614867 0.015866 0.000000\n-1.396801 6.465730 0.000000\n0.000000 -0.000000 10.410589\nTh In\n6 10\ndirect\n0.123973 0.123973 0.750000 Th\n0.876027 0.876027 0.250000 Th\n0.708592 0.291408 -0.000000 Th\n0.708592 0.291408 0.500000 Th\n0.291408 0.708592 -0.000000 Th\n0.291408 0.708592 0.500000 Th\n0.510762 0.510762 0.750000 In\n0.489239 0.489239 0.250000 In\n0.803064 0.803064 0.548990 In\n0.196936 0.196936 0.451010 In\n0.803064 0.803064 0.951010 In\n0.196936 0.196936 0.048990 In\n0.992825 0.570621 0.750000 In\n0.429379 0.007176 0.250000 In\n0.007175 0.429379 0.250000 In\n0.570621 0.992825 0.750000 In\n",
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"structure_string": "Na6 Sr2 B10 O20\n1.0\n6.888213 -0.004204 2.430911\n3.407674 6.655151 1.206709\n0.042941 0.058616 9.731463\nNa Sr B O\n6 2 10 20\ndirect\n0.277466 0.017242 0.114304 Na\n0.722532 0.982760 0.885696 Na\n0.849686 0.505133 0.163661 Na\n0.150312 0.494869 0.836339 Na\n0.206024 0.281175 0.446516 Na\n0.793974 0.718826 0.553484 Na\n0.210452 0.948447 0.773753 Sr\n0.789546 0.051554 0.226247 Sr\n0.306578 0.624921 0.285137 B\n0.841375 0.249305 0.454686 B\n0.158624 0.750696 0.545314 B\n0.859006 0.324801 0.921365 B\n0.140993 0.675200 0.078635 B\n0.506721 0.228501 0.622907 B\n0.493278 0.771500 0.377093 B\n0.608923 0.668812 0.864076 B\n0.391075 0.331189 0.135923 B\n0.693421 0.375080 0.714863 B\n0.825579 0.250429 0.814962 O\n0.174420 0.749572 0.185038 O\n0.159289 0.650420 0.436671 O\n0.982521 0.220163 0.320697 O\n0.017478 0.779838 0.679303 O\n0.763089 0.535180 0.936234 O\n0.491091 0.862512 0.894080 O\n0.508908 0.137489 0.105920 O\n0.681366 0.178331 0.490060 O\n0.318632 0.821670 0.509940 O\n0.526847 0.312002 0.730932 O\n0.586086 0.590280 0.753194 O\n0.413912 0.409721 0.246806 O\n0.840709 0.349581 0.563328 O\n0.667698 0.798412 0.357943 O\n0.987505 0.206320 0.002826 O\n0.012493 0.793681 0.997174 O\n0.332300 0.201589 0.642057 O\n0.236909 0.464821 0.063765 O\n0.473151 0.687999 0.269068 O\n",
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{
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],
"chemical_system": "Al-Co-U",
"density": 6.674025004966395,
"density_atomic": 0.06282151923512469,
"volume": 445.7071452729955,
"volume_molar": 9.586111309184812,
"formula_full": "U4 Al18 Co6",
"formula_reduced": "U2(Al3Co)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 3.24189285,
"spacegroup": 63
},
{
"id": "jvasp-120545",
"created_at": "2022-09-04T14:38:52.441104Z",
"updated_at": "2022-09-04T14:38:52.441141Z",
"structure_string": "Ba6 Ho2 Al2 Rh2 O15\n1.0\n5.897354 -0.007806 0.000000\n-2.937903 5.113470 0.000000\n-0.000000 -0.000000 14.793368\nBa Ho Al Rh O\n6 2 2 2 15\ndirect\n0.329753 0.670247 0.187482 Ba\n0.329753 0.670247 0.812518 Ba\n0.014153 0.985847 -0.000000 Ba\n0.660760 0.339239 0.646989 Ba\n0.660760 0.339239 0.353011 Ba\n0.986309 0.013689 0.500000 Ba\n0.994790 0.005209 0.248105 Ho\n0.994790 0.005209 0.751895 Ho\n0.663542 0.336457 0.885564 Al\n0.663542 0.336457 0.114436 Al\n0.323683 0.676317 0.584003 Rh\n0.323683 0.676317 0.415998 Rh\n0.618483 0.381516 -0.000000 O\n0.170697 0.351778 0.660925 O\n0.648222 0.829303 0.660925 O\n0.167580 0.832420 0.668842 O\n0.170697 0.351778 0.339076 O\n0.648222 0.829303 0.339076 O\n0.834064 0.165935 0.138012 O\n0.348282 0.162243 0.838524 O\n0.834064 0.165935 0.861988 O\n0.837756 0.651717 0.838524 O\n0.348282 0.162243 0.161476 O\n0.002841 0.529062 0.500000 O\n0.837756 0.651717 0.161476 O\n0.167580 0.832420 0.331159 O\n0.470938 0.997159 0.500000 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Ba",
"Ho",
"Al",
"Rh",
"O"
],
"chemical_system": "Al-Ba-Ho-O-Rh",
"density": 6.159802191025704,
"density_atomic": 0.06056952877837799,
"volume": 445.7686982969961,
"volume_molar": 9.942525361283272,
"formula_full": "Ba6 Ho2 Al2 Rh2 O15",
"formula_reduced": "Ba6Ho2Al2Rh2O15",
"formula_anonymous": "A2B2C2D6E15",
"energy_above_hull": 2.11013485382716,
"spacegroup": 38
}
]
}