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{
"id": "jvasp-9385",
"created_at": "2022-09-04T14:38:11.445865Z",
"updated_at": "2022-09-04T14:38:11.445889Z",
"structure_string": "Tb3 Si4 Cu4\n1.0\n4.022098 -0.000001 -1.095505\n-0.742980 5.929992 -2.727899\n-0.001670 0.006535 7.925326\nTb Si Cu\n3 4 4\ndirect\n0.869295 0.869285 0.738591 Tb\n0.130706 0.130716 0.261410 Tb\n-0.000000 0.500000 -0.000000 Tb\n0.500005 0.815212 0.000010 Si\n0.499996 0.184789 0.999992 Si\n0.784301 0.284314 0.568609 Si\n0.215700 0.715686 0.431393 Si\n0.332525 0.522771 0.665053 Cu\n0.667499 0.857761 0.334986 Cu\n0.332502 0.142239 0.665016 Cu\n0.667476 0.477229 0.334948 Cu\n",
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"structure_string": "Zn2 Cu4 O8\n1.0\n5.897667 0.064346 0.005295\n-0.346525 5.887880 -0.005867\n-2.779575 -2.971965 4.270300\nZn Cu O\n2 4 8\ndirect\n0.875027 0.624989 0.750001 Zn\n0.124979 0.375014 0.250004 Zn\n0.500003 0.000003 0.000004 Cu\n-0.000002 -0.000000 0.499999 Cu\n0.500001 -0.000005 0.500000 Cu\n0.500001 0.499998 -0.000001 Cu\n0.718744 0.175480 0.938181 O\n0.324473 0.262715 0.043234 O\n0.219478 0.781252 0.456773 O\n0.762717 0.719430 0.438195 O\n0.780517 0.218748 0.543226 O\n0.675525 0.737283 0.956764 O\n0.237276 0.280572 0.561805 O\n0.281257 0.824522 0.061820 O\n",
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"formula_full": "Zn2 Cu4 O8",
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{
"id": "jvasp-31341",
"created_at": "2022-09-04T14:38:11.455636Z",
"updated_at": "2022-09-04T14:38:11.455664Z",
"structure_string": "Sc7 C1 Br12\n1.0\n8.060415 -0.001727 -2.555278\n-3.490198 7.265591 -2.555278\n-0.001086 -0.001727 8.455751\nSc C Br\n7 1 12\ndirect\n0.103941 0.299079 0.037673 Sc\n0.299079 0.037673 0.103941 Sc\n0.908790 0.708502 0.976398 Sc\n0.708501 0.976398 0.908791 Sc\n0.976397 0.908791 0.708502 Sc\n0.482957 0.482957 0.482957 Sc\n0.037673 0.103941 0.299079 Sc\n0.000561 0.000561 0.000561 C\n0.389151 0.148131 0.469301 Br\n0.148131 0.469301 0.389152 Br\n0.078431 0.231952 0.691840 Br\n0.776190 0.314173 0.924475 Br\n0.314173 0.924475 0.776190 Br\n0.541041 0.616745 0.844856 Br\n0.616744 0.844857 0.541041 Br\n0.844856 0.541041 0.616744 Br\n0.231951 0.691841 0.078431 Br\n0.691840 0.078431 0.231951 Br\n0.924475 0.776190 0.314173 Br\n0.469301 0.389152 0.148131 Br\n",
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"chemical_system": "Br-C-Sc",
"density": 4.311860143782639,
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"spacegroup": 146
},
{
"id": "jvasp-10267",
"created_at": "2022-09-04T14:38:11.463099Z",
"updated_at": "2022-09-04T14:38:11.463131Z",
"structure_string": "K10 As4 Au2\n1.0\n2.849213 -4.934982 -0.000000\n2.849213 4.934982 0.000000\n-0.000000 -0.000000 19.333929\nK As Au\n10 4 2\ndirect\n0.333333 0.666666 0.549702 K\n0.666666 0.333333 0.049702 K\n0.666666 0.333333 0.450298 K\n0.333333 0.666666 0.950298 K\n0.000000 0.000000 0.148006 K\n0.000000 0.000000 0.648006 K\n0.000000 0.000000 0.851994 K\n0.000000 0.000000 0.351994 K\n0.333333 0.666666 0.750000 K\n0.666666 0.333333 0.250000 K\n0.333333 0.666666 0.119724 As\n0.666666 0.333333 0.619724 As\n0.333333 0.666666 0.380276 As\n0.666666 0.333333 0.880276 As\n0.666666 0.333333 0.750000 Au\n0.333333 0.666666 0.250000 Au\n",
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],
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{
"id": "jvasp-25562",
"created_at": "2022-09-04T14:38:11.473024Z",
"updated_at": "2022-09-04T14:38:11.473054Z",
"structure_string": "Ca4 Si6 Ag2\n1.0\n5.614303 0.030613 -2.089371\n-0.986361 5.527064 -2.089371\n-0.000462 -0.000555 8.346660\nCa Si Ag\n4 6 2\ndirect\n0.750000 0.250000 0.500000 Ca\n0.248007 0.751992 -0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.751993 0.248006 -0.000000 Ca\n0.325307 0.325307 0.162043 Si\n0.163265 0.163265 0.837957 Si\n0.674693 0.674692 0.837957 Si\n0.836735 0.836734 0.162043 Si\n0.162046 0.162046 0.324093 Si\n0.837954 0.837954 0.675907 Si\n0.666673 0.666673 0.333348 Ag\n0.333326 0.333326 0.666652 Ag\n",
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"volume": 259.2410394396874,
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"formula_full": "Ca4 Si6 Ag2",
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{
"id": "jvasp-49976",
"created_at": "2022-09-04T14:38:11.476390Z",
"updated_at": "2022-09-04T14:38:11.476407Z",
"structure_string": "Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 O\n",
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"formula_full": "Li1 Ti3 O6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 8
},
{
"id": "jvasp-52090",
"created_at": "2022-09-04T14:38:11.479556Z",
"updated_at": "2022-09-04T14:38:11.479591Z",
"structure_string": "Ba6 Cr2 S10\n1.0\n4.606651 -7.978954 0.000000\n4.606651 7.978954 -0.000000\n0.000000 -0.000000 6.137817\nBa Cr S\n6 2 10\ndirect\n0.000000 0.382190 0.663216 Ba\n0.382190 0.382190 0.163216 Ba\n0.617810 0.000000 0.163216 Ba\n0.382190 0.000000 0.663216 Ba\n0.617810 0.617810 0.663216 Ba\n0.000000 0.617810 0.163216 Ba\n0.000000 0.000000 0.413206 Cr\n0.000000 0.000000 0.913206 Cr\n0.666667 0.333333 0.413220 S\n0.333333 0.666667 0.913220 S\n0.211130 0.000000 0.163236 S\n0.000000 0.788870 0.663237 S\n0.788870 0.000000 0.663237 S\n0.788870 0.788870 0.163236 S\n0.000000 0.211130 0.163236 S\n0.666667 0.333333 0.913220 S\n0.211130 0.211130 0.663237 S\n0.333333 0.666667 0.413220 S\n",
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{
"id": "jvasp-18280",
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"updated_at": "2022-09-04T14:38:11.483189Z",
"structure_string": "Ce2 Ni2 Sn1\n1.0\n4.015962 0.000000 1.706988\n1.329063 4.674210 2.450757\n0.058948 -0.188923 5.438906\nCe Ni Sn\n2 2 1\ndirect\n0.798442 0.701558 0.701558 Ce\n0.201557 0.298443 0.298443 Ce\n0.500000 0.289886 0.710115 Ni\n0.499999 0.710114 0.289887 Ni\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-55711",
"created_at": "2022-09-04T14:38:11.487150Z",
"updated_at": "2022-09-04T14:38:11.487171Z",
"structure_string": "K6 Al2 H12\n1.0\n0.000000 6.014527 0.007093\n5.966172 0.000000 0.000000\n0.000000 -5.920619 -8.478631\nK Al H\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.756791 0.977766 0.252377 K\n0.243209 0.477767 0.247623 K\n0.243209 0.022233 0.747623 K\n0.756791 0.522233 0.752377 K\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.267433 0.488150 0.704630 H\n0.732568 0.988150 0.795370 H\n0.198234 0.679219 0.466476 H\n0.801766 0.179219 0.033524 H\n0.801766 0.320780 0.533524 H\n0.139085 0.237653 0.966075 H\n0.860915 0.762347 0.033925 H\n0.139085 0.262347 0.466075 H\n0.267433 0.011849 0.204630 H\n0.860915 0.737653 0.533925 H\n0.198234 0.820780 0.966476 H\n0.732568 0.511849 0.295370 H\n",
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{
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"structure_string": "Li2 Tb2 Sn4\n1.0\n-4.414790 -0.000000 0.000000\n-0.000000 0.000000 -4.478359\n2.207396 -9.442616 0.000000\nTb Li Sn\n2 2 4\ndirect\n0.892448 0.750000 0.784897 Tb\n0.107551 0.250000 0.215103 Tb\n0.675096 0.750000 0.350191 Li\n0.324904 0.250000 0.649809 Li\n0.545540 0.750000 0.091080 Sn\n0.454459 0.250000 0.908920 Sn\n0.251054 0.750000 0.502108 Sn\n0.748946 0.250000 0.497892 Sn\n",
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"formula_full": "Li2 Tb2 Sn4",
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{
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{
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"structure_string": "Dy1 Mn2 Ge2\n1.0\n3.711787 -0.000000 -1.279469\n-0.441038 3.685492 -1.279469\n0.019346 0.021799 6.079878\nDy Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.619581 0.619581 0.239163 Ge\n0.380420 0.380419 0.760837 Ge\n",
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}
]
}