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{
"id": "jvasp-52345",
"created_at": "2022-09-04T14:38:17.067283Z",
"updated_at": "2022-09-04T14:38:17.067300Z",
"structure_string": "Ce3 Th2 O9\n1.0\n3.915862 0.000444 -0.000680\n-0.000504 5.608558 -0.001439\n-1.955796 -2.802592 9.829348\nCe Th O\n3 2 9\ndirect\n0.396676 0.388232 0.792127 Ce\n0.000660 0.039354 0.000053 Ce\n0.604617 0.596163 0.207980 Ce\n0.198113 0.193160 0.394963 Th\n0.803192 0.798246 0.605141 Th\n0.912311 0.669995 0.823416 O\n0.302012 0.545198 0.602775 O\n0.299834 0.044681 0.598429 O\n0.088995 0.846647 0.176694 O\n0.699309 0.942488 0.397335 O\n0.898230 0.155532 0.795215 O\n0.701459 0.446310 0.401673 O\n0.103080 0.360384 0.204895 O\n0.500652 0.263041 0.000052 O\n",
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{
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"structure_string": "Tm6 Pt8\n1.0\n7.068805 0.013074 -3.185324\n-4.932988 5.062983 -3.185324\n0.005501 0.013074 7.753338\nTm Pt\n6 8\ndirect\n0.404840 0.024677 0.277117 Tm\n0.024678 0.277117 0.404840 Tm\n0.277116 0.404840 0.024678 Tm\n0.595158 0.975320 0.722882 Tm\n0.975320 0.722881 0.595159 Tm\n0.722881 0.595158 0.975321 Tm\n0.000000 0.000000 0.000000 Pt\n0.499999 0.499999 0.500000 Pt\n0.229693 0.064136 0.549813 Pt\n0.064136 0.549813 0.229694 Pt\n0.549812 0.229693 0.064137 Pt\n0.770304 0.935861 0.450186 Pt\n0.935861 0.450185 0.770305 Pt\n0.450185 0.770304 0.935862 Pt\n",
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{
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"structure_string": "Sc2 Al6 C6\n1.0\n1.680507 -2.910722 -0.000000\n1.680507 2.910722 -0.000000\n-0.000000 0.000000 16.801490\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333334 0.666668 0.128807 Al\n0.666668 0.333334 0.871193 Al\n0.333334 0.666668 0.750000 Al\n0.333334 0.666668 0.371193 Al\n0.666668 0.333334 0.628807 Al\n0.666668 0.333334 0.250000 Al\n0.666668 0.333334 0.086526 C\n0.666668 0.333334 0.750000 C\n0.333334 0.666668 0.250000 C\n0.333334 0.666668 0.913474 C\n0.666668 0.333334 0.413474 C\n0.333334 0.666668 0.586526 C\n",
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"density_atomic": 0.08517442060428253,
"volume": 164.36859682372864,
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"formula_full": "Sc2 Al6 C6",
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{
"id": "jvasp-9145",
"created_at": "2022-09-04T14:38:18.754143Z",
"updated_at": "2022-09-04T14:38:18.754174Z",
"structure_string": "Al4 Zn2 O8\n1.0\n4.995830 0.000000 2.884344\n1.665276 4.710114 2.884344\n-0.000000 0.000000 5.768687\nAl Zn O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.500000 Al\n0.875001 0.874999 0.874999 Zn\n0.125000 0.125000 0.125000 Zn\n0.735634 0.735632 0.735632 O\n0.264367 0.264367 0.706898 O\n0.264368 0.706897 0.264366 O\n0.706898 0.264367 0.264367 O\n0.735633 0.293102 0.735633 O\n0.293103 0.735632 0.735633 O\n0.264367 0.264367 0.264367 O\n0.735634 0.735632 0.293101 O\n",
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{
"id": "jvasp-47035",
"created_at": "2022-09-04T14:38:08.150677Z",
"updated_at": "2022-09-04T14:38:08.150705Z",
"structure_string": "Li3 Ni3 O1 F7\n1.0\n-0.032813 4.183145 4.183145\n4.183145 -0.032813 4.183145\n4.183145 4.183145 -0.032813\nLi Ni O F\n3 3 1 7\ndirect\n-0.000408 -0.000408 -0.000408 Li\n0.254855 0.254855 0.254855 Li\n0.623919 0.623919 0.623919 Li\n0.614678 0.133766 0.614678 Ni\n0.614678 0.614678 0.133766 Ni\n0.133766 0.614678 0.614678 Ni\n0.386727 0.386727 0.386727 O\n0.859099 0.383105 0.383105 F\n0.383105 0.859099 0.383105 F\n0.383105 0.383105 0.859099 F\n0.867581 0.867581 0.394198 F\n0.867581 0.394198 0.867581 F\n0.394198 0.867581 0.867581 F\n0.867127 0.867127 0.867127 F\n",
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{
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"created_at": "2022-09-04T14:38:16.024267Z",
"updated_at": "2022-09-04T14:38:16.024296Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n-2.810225 1.638833 4.656959\n-2.810225 4.936901 -0.007213\n-2.810225 -1.638833 -4.656959\nLi Fe Co O\n2 2 2 8\ndirect\n0.749999 0.124959 0.625039 Li\n0.249999 0.875040 0.374958 Li\n0.500000 0.499999 -0.000001 Fe\n-0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.525080 0.734291 0.790789 O\n0.974918 0.734290 0.240625 O\n0.974603 0.288389 0.237005 O\n0.525395 0.737599 0.237005 O\n0.474603 0.262401 0.762993 O\n0.025395 0.711610 0.762993 O\n0.025080 0.265709 0.759373 O\n0.474918 0.265708 0.209208 O\n",
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{
"id": "jvasp-57681",
"created_at": "2022-09-04T14:38:19.695086Z",
"updated_at": "2022-09-04T14:38:19.695105Z",
"structure_string": "Ho8 Sb6\n1.0\n7.451977 -0.000000 -2.634671\n-3.725988 6.453601 -2.634671\n0.000000 0.000000 7.904014\nHo Sb\n8 6\ndirect\n0.354390 0.500000 0.000000 Ho\n0.645610 0.645610 0.645610 Ho\n0.500000 0.000000 0.354390 Ho\n-0.000000 0.354390 0.500000 Ho\n0.500000 0.000000 0.854390 Ho\n-0.000000 0.854390 0.500000 Ho\n0.854390 0.500000 0.000000 Ho\n0.145610 0.145610 0.145610 Ho\n0.750000 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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{
"id": "jvasp-56645",
"created_at": "2022-09-04T14:38:27.951479Z",
"updated_at": "2022-09-04T14:38:27.951505Z",
"structure_string": "Mn2 Rh4 O8\n1.0\n5.192520 0.000000 2.997903\n1.730840 4.895555 2.997903\n0.000000 0.000000 5.995807\nMn Rh O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mn\n0.875000 0.875001 0.874999 Mn\n0.500000 0.500000 -0.000001 Rh\n0.500000 -0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.750933 0.750934 0.750932 O\n0.750933 0.247203 0.750933 O\n0.750933 0.750934 0.247201 O\n0.249067 0.249067 0.752798 O\n0.249067 0.249067 0.249067 O\n0.247202 0.750934 0.750933 O\n0.249067 0.752798 0.249066 O\n0.752798 0.249067 0.249067 O\n",
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{
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"created_at": "2022-09-04T14:38:18.297154Z",
"updated_at": "2022-09-04T14:38:18.297175Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.243404 0.024173 -3.271543\n-1.711497 5.989877 -3.297852\n-0.289154 -0.403694 7.031655\nLi Cr S\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Li\n0.000001 0.000000 0.500001 Li\n0.377511 0.627511 0.750001 Cr\n0.622489 0.372490 0.250000 Cr\n0.500001 0.000000 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.750649 0.764901 0.514309 S\n0.750594 0.236344 0.985696 S\n0.245531 0.240424 0.005037 S\n0.249351 0.235100 0.485694 S\n0.264612 0.759505 0.505037 S\n0.249406 0.763658 0.014308 S\n0.735386 0.240495 0.494964 S\n0.754468 0.759577 0.994965 S\n",
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"structure_string": "Mg2 Ni2 F10\n1.0\n4.880318 -0.437458 1.162368\n-1.751207 4.697262 1.417641\n0.610341 -0.539709 7.303481\nMg Ni F\n2 2 10\ndirect\n0.699601 0.470709 0.762148 Mg\n0.296705 0.524879 0.239634 Mg\n-0.001837 0.997797 0.000883 Ni\n0.498150 -0.002210 0.500887 Ni\n0.625781 0.875757 0.257763 F\n0.370547 0.119843 0.744001 F\n0.487742 0.305582 0.350995 F\n0.120590 0.749405 0.119984 F\n0.267851 0.290230 0.047431 F\n0.892119 0.241016 0.463851 F\n0.728485 0.705349 -0.045657 F\n0.104186 0.754540 0.537903 F\n0.875759 0.246175 0.881750 F\n0.508540 0.690003 0.650799 F\n",
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"created_at": "2022-09-04T14:38:18.327039Z",
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"structure_string": "Ca2 Co4 O8\n1.0\n2.974845 0.000000 0.000000\n-1.487423 4.776269 0.000000\n0.000000 -0.000000 9.569443\nCa Co O\n2 4 8\ndirect\n0.391614 0.783225 0.750000 Ca\n0.608389 0.216775 0.250000 Ca\n0.859782 0.719561 0.069921 Co\n0.140221 0.280439 0.930079 Co\n0.859782 0.719561 0.430079 Co\n0.140221 0.280439 0.569921 Co\n0.236924 0.473848 0.395460 O\n0.763079 0.526152 0.604539 O\n0.763079 0.526152 0.895460 O\n0.236924 0.473848 0.104539 O\n0.936877 0.873750 0.250000 O\n0.063125 0.126250 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
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{
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"structure_string": "Mg2 Mo4 O8\n1.0\n5.368370 0.000000 -2.818463\n-1.479729 5.160409 -2.818463\n-0.247062 -0.327864 6.051259\nMg Mo O\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Mg\n0.625000 0.375000 0.250001 Mg\n0.000000 0.000000 0.500000 Mo\n-0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n0.752075 0.755922 0.504154 O\n0.751771 0.247926 0.995849 O\n0.244079 0.247926 0.995849 O\n0.247925 0.244079 0.495848 O\n0.247925 0.751771 0.495849 O\n0.248230 0.752075 0.004153 O\n0.752075 0.248231 0.504153 O\n0.755921 0.752075 0.004153 O\n",
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]
}