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{
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{
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"structure_string": "Al9 Si2 B1 O19\n1.0\n2.896715 7.585793 0.000000\n-2.896715 7.585793 0.000000\n0.000000 0.316890 7.669627\nAl Si B O\n9 2 1 19\ndirect\n0.550692 0.550692 0.832824 Al\n0.438206 0.438206 0.314307 Al\n0.378650 0.864987 0.163890 Al\n0.864987 0.378650 0.163890 Al\n0.629130 0.135761 0.650083 Al\n0.135761 0.629130 0.650083 Al\n0.746781 0.746781 0.852811 Al\n0.204416 0.204416 0.492582 Al\n0.702891 0.702891 0.496803 Al\n0.295534 0.295534 0.996372 Si\n0.049245 0.049245 0.818885 Si\n0.976519 0.976519 0.363334 B\n0.549046 0.549046 0.237016 O\n0.455541 0.455541 0.709735 O\n0.685803 0.685803 0.055675 O\n0.318817 0.318817 0.546159 O\n0.950668 0.950668 0.735863 O\n0.049777 0.049777 0.252114 O\n0.191874 0.191874 0.073113 O\n0.805651 0.805651 0.607803 O\n0.283925 0.822190 0.944950 O\n0.822190 0.283925 0.944950 O\n0.729387 0.148593 0.420503 O\n0.148593 0.729387 0.420503 O\n0.539169 0.078828 0.866892 O\n0.078828 0.539169 0.866892 O\n0.440924 0.933047 0.371809 O\n0.933047 0.440924 0.371809 O\n0.364880 0.364880 0.146872 O\n0.651317 0.651317 0.709285 O\n0.125448 0.125448 0.666588 O\n",
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{
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{
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"structure_string": "Na4 Bi2 P2 C2 O14\n1.0\n6.997348 0.000000 0.000000\n0.000000 5.301619 0.000000\n0.000000 0.305518 9.415384\nNa Bi P C O\n4 2 2 2 14\ndirect\n0.489780 0.233208 0.786764 Na\n0.010220 0.233208 0.786764 Na\n0.510220 0.766792 0.213236 Na\n0.989780 0.766792 0.213236 Na\n0.750000 0.776036 0.619413 Bi\n0.250000 0.223964 0.380587 Bi\n0.250000 0.723407 0.597415 P\n0.750000 0.276593 0.402585 P\n0.750000 0.729011 0.914610 C\n0.250000 0.270989 0.085390 C\n0.250000 0.284876 0.952631 O\n0.750000 0.948214 0.842123 O\n0.750000 0.528273 0.834036 O\n0.072188 0.856230 0.660587 O\n0.427812 0.856230 0.660587 O\n0.750000 0.232870 0.569814 O\n0.250000 0.436410 0.630059 O\n0.750000 0.563590 0.369941 O\n0.250000 0.767130 0.430186 O\n0.572188 0.143770 0.339413 O\n0.927812 0.143770 0.339413 O\n0.250000 0.471727 0.165964 O\n0.250000 0.051786 0.157877 O\n0.750000 0.715124 0.047369 O\n",
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{
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{
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{
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{
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"elements": [
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"density": 2.2019322537122723,
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"formula_full": "K4 Ga4 Cl16",
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{
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"elements": [
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{
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"created_at": "2022-09-04T14:43:11.043555Z",
"structure_string": "Dy2 Mg2 Ti2 S8\n1.0\n6.713957 0.002473 3.874120\n2.238061 6.149991 3.877923\n0.085892 0.065273 7.599536\nDy Mg Ti S\n2 2 2 8\ndirect\n0.500003 0.500012 0.499980 Dy\n0.000001 0.499990 0.500010 Dy\n0.876782 0.873212 0.873229 Mg\n0.123220 0.126788 0.126771 Mg\n0.499996 0.500003 0.000003 Ti\n0.500001 0.999992 0.500011 Ti\n0.721185 0.752756 0.752733 S\n0.267895 0.232863 0.731325 S\n0.267979 0.731043 0.232989 S\n0.726691 0.247279 0.247242 S\n0.732006 0.268955 0.767000 S\n0.273307 0.752723 0.752752 S\n0.278817 0.247233 0.247281 S\n0.732119 0.767144 0.268675 S\n",
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"density": 3.8810165923052296,
"density_atomic": 0.04507847132020364,
"volume": 310.5695377412979,
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"formula_full": "Dy2 Mg2 Ti2 S8",
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{
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"structure_string": "Cs1 K2 Al1 Cl6\n1.0\n0.000000 5.559383 5.559383\n5.559383 0.000000 5.559383\n5.559383 5.559383 0.000000\nCs K Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.789369 0.210631 0.210631 Cl\n0.210631 0.210631 0.789369 Cl\n0.210631 0.789369 0.789369 Cl\n0.210631 0.789369 0.210631 Cl\n0.789369 0.210631 0.789369 Cl\n0.789369 0.789369 0.210631 Cl\n",
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"formula_full": "Cs1 K2 Al1 Cl6",
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]
}