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{
"id": "jvasp-29267",
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"updated_at": "2022-09-04T14:38:02.339338Z",
"structure_string": "Sc5 C1 Cl8\n1.0\n3.467314 0.000000 0.658189\n1.528008 8.811306 1.412445\n-0.004119 0.011528 9.483626\nSc C Cl\n5 1 8\ndirect\n0.837859 0.648347 0.675933 Sc\n0.162140 0.351653 0.324067 Sc\n0.486399 0.639596 0.387605 Sc\n0.513600 0.360404 0.612395 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 C\n0.033072 0.172980 0.760876 Cl\n0.966927 0.827020 0.239124 Cl\n0.329992 0.503823 0.836191 Cl\n0.670007 0.496177 0.163809 Cl\n0.702847 0.163098 0.431205 Cl\n0.297152 0.836903 0.568795 Cl\n0.367992 0.164718 0.099297 Cl\n0.632007 0.835282 0.900703 Cl\n",
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{
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{
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"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.812915 0.013075 -0.014619\n-0.090223 5.877983 0.036609\n-2.843231 -2.944163 4.166530\nLi Ti V O\n1 4 1 8\ndirect\n0.500000 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.239827 0.250000 -0.010639 O\n0.784928 0.255621 0.522419 O\n0.751089 0.752298 0.499180 O\n0.248733 0.748657 0.000784 O\n0.751269 0.251344 0.999216 O\n0.248912 0.247703 0.500820 O\n0.215073 0.744380 0.477581 O\n0.760174 0.750001 0.010639 O\n",
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{
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"created_at": "2022-09-04T14:38:10.325723Z",
"updated_at": "2022-09-04T14:38:10.325746Z",
"structure_string": "Ca2 Co4 O8\n1.0\n6.049881 -0.018734 -0.027106\n3.008717 5.248717 -0.027106\n2.997399 1.730550 4.894734\nCa Co O\n2 4 8\ndirect\n0.125000 0.625001 0.624999 Ca\n0.625000 0.125001 0.624999 Ca\n0.989345 0.989347 0.010654 Co\n0.260655 0.260656 0.239344 Co\n0.625000 0.625001 0.124999 Co\n0.625000 0.625001 0.624998 Co\n0.401490 0.401491 0.331639 O\n0.416398 0.860136 0.361733 O\n0.401490 0.401491 0.865381 O\n0.860135 0.416399 0.361733 O\n0.389866 0.833604 0.888264 O\n0.833603 0.389867 0.888264 O\n0.848510 0.848512 0.384616 O\n0.848511 0.848512 0.918358 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.766940Z",
"structure_string": "Mo2 P2 O10\n1.0\n4.187744 -0.000000 0.000000\n-0.000000 6.271246 -0.000000\n-0.000000 0.000000 6.271246\nMo P O\n2 2 10\ndirect\n0.804739 0.750000 0.750000 Mo\n0.195259 0.250000 0.250000 Mo\n0.499999 0.750000 0.250000 P\n0.499999 0.250000 0.750000 P\n0.712862 0.799866 0.443711 O\n0.712862 0.056290 0.799866 O\n0.712862 0.443711 0.700135 O\n0.712862 0.700135 0.056290 O\n0.790068 0.250000 0.250000 O\n0.209932 0.750000 0.750000 O\n0.287136 0.299867 0.943710 O\n0.287136 0.200134 0.556290 O\n0.287136 0.943710 0.200134 O\n0.287136 0.556290 0.299867 O\n",
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{
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"created_at": "2022-09-04T14:38:11.960839Z",
"updated_at": "2022-09-04T14:38:11.960853Z",
"structure_string": "Yb2 Y4 S8\n1.0\n6.793250 0.000000 -2.411191\n-3.392188 5.890815 -2.398640\n-0.008875 0.000000 7.208468\nYb Y S\n2 4 8\ndirect\n0.124999 0.749999 0.875000 Yb\n0.374999 0.250000 0.625000 Yb\n0.249999 0.628294 0.378294 Y\n0.621705 0.371705 0.250000 Y\n0.749999 0.871705 0.121705 Y\n0.878294 0.128295 0.750000 Y\n0.504072 0.999462 0.860183 S\n0.139816 0.143891 0.139280 S\n0.360183 0.499463 0.004073 S\n0.639279 0.643890 0.639816 S\n0.504610 0.000537 0.360720 S\n0.995926 0.856108 0.495389 S\n0.860720 0.500537 0.004610 S\n0.995389 0.356109 0.495927 S\n",
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{
"id": "jvasp-11095",
"created_at": "2022-09-04T14:38:11.953392Z",
"updated_at": "2022-09-04T14:38:11.953412Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.515463 -0.000125 3.761933\n2.171710 6.142686 3.761922\n-0.000129 -0.000105 7.524090\nCa Mn S\n2 4 8\ndirect\n0.874986 0.874969 0.875011 Ca\n0.125023 0.125032 0.124975 Ca\n0.500004 0.500005 0.499994 Mn\n0.500001 0.499978 0.000022 Mn\n-0.000006 0.500005 0.499996 Mn\n0.499988 0.000004 0.500006 Mn\n0.731923 0.731911 0.731917 S\n0.268066 0.268086 0.695789 S\n0.268070 0.695785 0.268082 S\n0.695797 0.268076 0.268077 S\n0.731926 0.304219 0.731918 S\n0.304216 0.731920 0.731926 S\n0.268072 0.268078 0.268084 S\n0.731931 0.731930 0.304202 S\n",
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{
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"structure_string": "Na2 Mn4 O8\n1.0\n2.947046 -0.000503 0.000112\n-1.472516 4.850245 0.000150\n-0.000039 -0.000443 9.704144\nNa Mn O\n2 4 8\ndirect\n0.114078 0.719098 0.750009 Na\n0.894918 0.280908 0.250008 Na\n0.640645 0.772191 0.072144 Mn\n0.368396 0.227813 0.572143 Mn\n0.640528 0.772155 0.427865 Mn\n0.368501 0.227839 0.927862 Mn\n0.268144 0.027372 0.395467 O\n0.268274 0.027405 0.104543 O\n0.740774 0.972596 0.604542 O\n0.740884 0.972637 0.895469 O\n0.438237 0.367416 0.750000 O\n0.570746 0.632588 0.250001 O\n0.004427 0.499982 0.499997 O\n0.004540 0.500017 -0.000002 O\n",
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{
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"structure_string": "Mg3 Fe3 O8\n1.0\n0.001852 4.162762 4.162762\n4.162762 0.001852 4.162762\n4.162762 4.162762 0.001852\nMg Fe O\n3 3 8\ndirect\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.125000 0.625000 0.625000 Mg\n0.993782 0.993782 0.993782 Fe\n0.256217 0.256217 0.256217 Fe\n0.625000 0.625000 0.625000 Fe\n0.855203 0.393160 0.393160 O\n0.382777 0.382777 0.382777 O\n0.393160 0.855203 0.393160 O\n0.393160 0.393160 0.855203 O\n0.856839 0.394796 0.856839 O\n0.856839 0.856839 0.394796 O\n0.394796 0.856839 0.856839 O\n0.867222 0.867222 0.867222 O\n",
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"structure_string": "Mg2 Cr4 Se8\n1.0\n7.581336 0.000206 0.000185\n3.790579 6.565724 0.000238\n3.790504 2.188584 6.190213\nMg Cr Se\n2 4 8\ndirect\n0.875008 0.874995 0.874995 Mg\n0.125007 0.124996 0.124999 Mg\n0.499998 0.499992 0.500007 Cr\n0.499990 0.000003 0.499991 Cr\n0.500008 0.499999 0.999996 Cr\n0.999996 0.500009 0.500011 Cr\n0.737467 0.737505 0.737472 Se\n0.262532 0.712439 0.262519 Se\n0.712440 0.262506 0.262523 Se\n0.262519 0.262506 0.712446 Se\n0.287563 0.737467 0.737478 Se\n0.737473 0.737469 0.287578 Se\n0.262500 0.262548 0.262511 Se\n0.737492 0.287564 0.737483 Se\n",
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{
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"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
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{
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"structure_string": "Nb4 O10\n1.0\n4.622615 0.000000 -1.771761\n-0.521199 5.448243 -1.359834\n0.011119 0.013327 6.945210\nNb O\n4 10\ndirect\n0.380795 0.250348 0.280115 Nb\n0.100680 0.249652 0.719886 Nb\n0.619206 0.749652 0.719886 Nb\n0.899321 0.750348 0.280115 Nb\n0.721644 0.372233 0.588084 O\n0.133561 0.127767 0.411917 O\n0.278357 0.627767 0.411917 O\n0.866440 0.872233 0.588084 O\n0.899602 0.750000 0.000001 O\n0.100399 0.250000 0.000000 O\n0.335369 0.531074 0.781880 O\n0.553490 0.968926 0.218121 O\n0.664632 0.468926 0.218121 O\n0.446511 0.031074 0.781880 O\n",
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}
]
}