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{
"id": "jvasp-29523",
"created_at": "2022-09-04T14:37:08.881174Z",
"updated_at": "2022-09-04T14:37:08.881187Z",
"structure_string": "Bi4 Te4 W2 O20\n1.0\n5.632874 0.000000 -0.000000\n-2.816437 6.283831 -0.085120\n-0.000000 0.026467 12.306690\nBi Te W O\n4 4 2 20\ndirect\n0.154925 0.813916 0.452623 Bi\n0.658991 0.813916 0.952623 Bi\n0.341008 0.186084 0.047376 Bi\n0.845074 0.186084 0.547377 Bi\n0.459913 0.389916 0.357160 Te\n0.540086 0.610084 0.642840 Te\n0.930002 0.389916 0.857160 Te\n0.069997 0.610084 0.142840 Te\n0.810861 0.000000 0.250000 W\n0.189139 0.000000 0.750000 W\n0.501822 0.221545 0.738281 O\n0.906486 0.006310 0.399074 O\n0.772985 0.559174 0.049318 O\n0.280275 0.778455 0.761719 O\n0.985178 0.763067 0.256594 O\n0.227014 0.440826 0.950682 O\n0.684337 0.155269 0.938369 O\n0.498177 0.778455 0.261719 O\n0.014821 0.236933 0.743406 O\n0.213809 0.440826 0.450682 O\n0.093513 0.993690 0.600926 O\n0.099823 0.006310 0.899074 O\n0.777887 0.763067 0.756594 O\n0.470931 0.155269 0.438369 O\n0.222112 0.236933 0.243406 O\n0.900176 0.993690 0.100926 O\n0.529068 0.844732 0.561631 O\n0.315662 0.844731 0.061631 O\n0.786190 0.559175 0.549318 O\n0.719724 0.221545 0.238281 O\n",
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{
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"structure_string": "Li2 Mn3 Sn1 O8\n1.0\n6.065696 0.178763 0.126404\n3.187661 5.163665 0.126404\n3.187661 1.840396 4.826216\nLi Mn Sn O\n2 3 1 8\ndirect\n0.121025 0.121025 0.121025 Li\n0.878975 0.878976 0.878974 Li\n-0.000001 0.500001 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.500000 0.500001 0.499999 Sn\n0.265853 0.265853 0.265852 O\n0.251672 0.251673 0.716759 O\n0.251672 0.716760 0.251672 O\n0.716760 0.251672 0.251672 O\n0.283240 0.748329 0.748327 O\n0.748328 0.283242 0.748327 O\n0.748328 0.748329 0.283240 O\n0.734147 0.734148 0.734146 O\n",
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"density_atomic": 0.09606495742530095,
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"formula_full": "Li2 Mn3 Sn1 O8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-101071",
"created_at": "2022-09-04T14:37:03.768971Z",
"updated_at": "2022-09-04T14:37:03.768990Z",
"structure_string": "Zr1 Nb1 Al6\n1.0\n3.899004 0.000000 0.000000\n0.000000 3.899004 0.000000\n-0.000000 0.000000 8.874766\nZr Nb Al\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.244197 Al\n0.500000 0.000000 0.755803 Al\n0.500000 0.000000 0.244197 Al\n-0.000000 0.500000 0.755803 Al\n",
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"spacegroup": 123
},
{
"id": "jvasp-70891",
"created_at": "2022-09-04T14:35:58.069080Z",
"updated_at": "2022-09-04T14:35:58.069100Z",
"structure_string": "Be1 Ru2 Pb1\n1.0\n3.107998 0.000000 0.000000\n0.000000 3.107998 0.000000\n0.000000 -0.000000 6.429768\nBe Ru Pb\n1 2 1\ndirect\n0.000000 0.000000 0.407795 Be\n0.000000 0.000000 0.034878 Ru\n0.500000 0.500000 0.306824 Ru\n0.500000 0.500000 0.750504 Pb\n",
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{
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"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
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{
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"created_at": "2022-09-04T14:36:14.548438Z",
"updated_at": "2022-09-04T14:36:14.548469Z",
"structure_string": "Si1 As1 Rh2\n1.0\n0.000000 3.112490 3.112490\n3.112490 -0.000000 3.112490\n3.112490 3.112490 -0.000000\nSi As Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
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"volume": 60.30507889874251,
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-95470",
"created_at": "2022-09-04T14:36:33.350894Z",
"updated_at": "2022-09-04T14:36:33.350919Z",
"structure_string": "Cr4 Te8 O22\n1.0\n6.857583 0.000000 -1.219963\n0.000000 7.634199 0.000000\n-0.041705 0.000000 9.785019\nCr Te O\n4 8 22\ndirect\n0.318819 0.500451 0.384044 Cr\n0.681180 0.000451 0.115956 Cr\n0.681180 0.499549 0.615956 Cr\n0.318819 0.999550 0.884044 Cr\n0.681146 0.639499 0.915382 Te\n0.318853 0.360501 0.084618 Te\n0.681146 0.860501 0.415382 Te\n0.318853 0.139499 0.584618 Te\n0.850725 0.139883 0.823264 Te\n0.850726 0.360117 0.323264 Te\n0.149274 0.860117 0.176737 Te\n0.149273 0.639883 0.676737 Te\n0.469889 0.134085 0.765701 O\n0.206387 0.882968 0.708158 O\n0.793612 0.382968 0.791842 O\n0.793612 0.117032 0.291842 O\n0.206387 0.617032 0.208158 O\n0.126550 0.187677 0.843306 O\n0.873448 0.687677 0.656694 O\n0.873449 0.812324 0.156694 O\n0.126551 0.312324 0.343306 O\n0.530109 0.634085 0.734299 O\n0.565184 0.637191 0.449071 O\n0.469890 0.365915 0.265701 O\n0.565184 0.862809 0.949071 O\n0.434815 0.362809 0.550929 O\n0.434815 0.137191 0.050929 O\n0.499999 0.000000 0.500000 O\n0.156327 0.851880 0.983297 O\n0.843671 0.351880 0.516703 O\n0.843672 0.148120 0.016703 O\n0.156328 0.648120 0.483297 O\n0.530110 0.865915 0.234299 O\n0.500000 0.500000 0.000000 O\n",
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],
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"volume": 511.87839751734174,
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"formula_full": "Cr4 Te8 O22",
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"formula_anonymous": "A2B4C11",
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"spacegroup": 14
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{
"id": "jvasp-46291",
"created_at": "2022-09-04T14:38:05.787407Z",
"updated_at": "2022-09-04T14:38:05.787432Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n-0.000000 4.992667 4.992667\n4.992667 0.000000 4.992667\n4.992667 4.992667 0.000000\nTb Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.922358 0.327643 0.922358 O\n0.625000 0.625000 0.625000 O\n0.327643 0.327643 0.922358 O\n0.922358 0.922358 0.327643 O\n0.327643 0.922358 0.327643 O\n0.077643 0.672357 0.077643 O\n0.077643 0.077643 0.672357 O\n0.375000 0.375000 0.375000 O\n0.672357 0.672357 0.077643 O\n0.077643 0.672357 0.672357 O\n0.922358 0.327643 0.327643 O\n0.672357 0.077643 0.077643 O\n0.672357 0.077643 0.672357 O\n0.327643 0.922358 0.922358 O\n",
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"density": 7.2014822013386715,
"density_atomic": 0.08838832086552398,
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"formula_full": "Tb4 Mn4 O14",
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"spacegroup": 227
},
{
"id": "jvasp-110410",
"created_at": "2022-09-04T14:38:38.844299Z",
"updated_at": "2022-09-04T14:38:38.844327Z",
"structure_string": "Dy1 Ho1 Ru2\n1.0\n4.139363 -0.000000 2.389863\n1.379788 3.902629 2.389863\n0.000000 0.000000 4.779725\nDy Ho Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "jvasp-90520",
"created_at": "2022-09-04T14:36:15.411555Z",
"updated_at": "2022-09-04T14:36:15.411573Z",
"structure_string": "Ce2 U1 O6\n1.0\n0.000043 2.733721 2.733767\n-2.729054 5.431439 -2.697839\n-5.458902 -0.000247 0.000226\nCe U O\n2 1 6\ndirect\n0.670518 0.667247 0.666238 Ce\n0.337692 0.332840 0.333450 Ce\n0.004101 0.000044 0.999840 U\n0.164677 0.678909 0.916722 O\n0.504090 0.000051 0.762078 O\n0.164670 0.678920 0.404084 O\n0.843516 0.321168 0.595613 O\n0.504114 0.000038 0.237583 O\n0.843557 0.321176 0.082975 O\n",
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{
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"created_at": "2022-09-04T14:38:50.125888Z",
"updated_at": "2022-09-04T14:38:50.125915Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.836684 0.132196 -0.021309\n-0.266295 5.763017 -0.077624\n0.062273 -0.050098 8.082644\nLi Mn Co O\n4 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500016 0.757153 0.245158 Li\n0.499983 0.242847 0.754841 Li\n-0.000000 -0.000000 0.500000 Li\n0.499977 0.256466 0.250763 Mn\n0.000000 0.500000 0.500000 Mn\n0.500022 0.743535 0.749236 Mn\n0.000000 0.000000 0.000000 Co\n0.500198 0.766909 0.987795 O\n0.000194 0.021338 0.241175 O\n0.000224 0.508795 0.743844 O\n0.500221 0.263510 0.494131 O\n0.499801 0.233092 0.012204 O\n-0.000223 0.491205 0.256156 O\n-0.000193 0.978663 0.758825 O\n0.499778 0.736491 0.505869 O\n",
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"formula_full": "Li4 Mn3 Co1 O8",
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{
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"created_at": "2022-09-04T14:38:41.403420Z",
"updated_at": "2022-09-04T14:38:41.403446Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n4.967984 0.019784 2.929327\n1.682844 4.674323 2.929327\n0.028031 0.019784 5.767239\nLi Mn Co O\n4 3 1 8\ndirect\n0.499999 0.499999 0.500002 Li\n-0.000000 0.500000 0.000001 Li\n0.500000 -0.000000 0.000001 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.500001 Mn\n-0.000000 0.499999 0.500001 Mn\n0.499999 0.499999 0.000001 Mn\n0.000000 0.000000 0.000000 Co\n0.256804 0.256804 0.256805 O\n0.755912 0.262693 0.755915 O\n0.262694 0.755911 0.755914 O\n0.755912 0.755911 0.262696 O\n0.743195 0.743194 0.743198 O\n0.244087 0.737305 0.244088 O\n0.737305 0.244086 0.244089 O\n0.244087 0.244086 0.737307 O\n",
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]
}