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{
"id": "jvasp-48209",
"created_at": "2022-09-04T14:37:51.577212Z",
"updated_at": "2022-09-04T14:37:51.577231Z",
"structure_string": "Li2 V1 P2 O8\n1.0\n4.866149 -0.011679 0.005641\n-2.423000 4.220095 0.002986\n-0.009814 -0.009551 7.054139\nLi V P O\n2 1 2 8\ndirect\n0.333190 0.666719 0.705156 Li\n0.666764 0.333280 0.294844 Li\n-0.000023 0.000001 0.000001 V\n0.333371 0.666634 0.238441 P\n0.666583 0.333364 0.761563 P\n0.048425 0.697874 0.158253 O\n0.333319 0.666635 0.448551 O\n0.302133 0.350457 0.158323 O\n0.649558 0.951580 0.158337 O\n0.350397 0.048418 0.841660 O\n0.697820 0.649542 0.841675 O\n0.666636 0.333365 0.551454 O\n0.951530 0.302126 0.841744 O\n",
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"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n4.956982 -0.168591 -0.412461\n-0.260954 6.130285 -0.467696\n-0.069804 -0.473766 8.478466\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.736686 0.542839 0.242719 Li\n0.201694 0.526933 0.816034 Li\n0.362840 0.006222 0.778845 Li\n0.182539 0.225835 0.329148 Mn\n0.796360 0.762020 0.649726 Mn\n0.278149 0.754267 0.419510 P\n0.717508 0.242781 0.564486 P\n0.255296 0.255332 0.060478 C\n0.741391 0.741475 0.937610 C\n0.522847 0.732840 0.835826 O\n0.873127 0.455243 0.654227 O\n0.717153 0.069627 0.681343 O\n0.176789 0.836350 0.581166 O\n0.416561 0.286643 0.522399 O\n0.583075 0.705158 0.444791 O\n0.447948 0.291544 0.181054 O\n0.109467 0.538319 0.341568 O\n0.249434 0.923788 0.301041 O\n0.293662 0.271390 0.918048 O\n0.745017 0.705373 0.076712 O\n0.021196 0.200909 0.109930 O\n0.850410 0.162818 0.412589 O\n0.966767 0.788480 0.867810 O\n",
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{
"id": "jvasp-47739",
"created_at": "2022-09-04T14:38:34.408453Z",
"updated_at": "2022-09-04T14:38:34.408473Z",
"structure_string": "Li4 Cu2 F10\n1.0\n2.924130 -0.002470 -0.001821\n0.006480 7.173438 -0.000002\n0.005609 0.000304 8.487794\nLi Cu F\n4 2 10\ndirect\n0.504121 0.430705 0.141206 Li\n0.504123 0.930644 0.357961 Li\n0.504235 0.067690 0.641186 Li\n0.504196 0.567736 0.857974 Li\n0.004214 0.999244 0.999601 Cu\n0.004187 0.499189 0.499595 Cu\n0.004152 0.499195 0.999579 F\n0.504192 0.163936 0.063186 F\n0.004198 0.898245 0.203985 F\n0.004176 0.398250 0.295190 F\n0.504168 0.663893 0.436031 F\n0.004161 -0.000854 0.499589 F\n0.504235 0.334482 0.563155 F\n0.004220 0.600154 0.703988 F\n0.004262 0.100186 0.795192 F\n0.504281 0.834533 0.936050 F\n",
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"density_atomic": 0.08986707706066961,
"volume": 178.0407299683102,
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"formula_anonymous": "AB2C5",
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{
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"created_at": "2022-09-04T14:36:46.569617Z",
"updated_at": "2022-09-04T14:36:46.569638Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n4.977475 -0.013432 -0.015946\n0.042676 5.279867 0.011648\n0.028592 0.044279 6.350767\nLi Co Si O\n3 2 2 8\ndirect\n0.497515 0.174208 0.996133 Li\n0.996569 0.823863 0.499610 Li\n0.001835 0.340355 0.246060 Li\n0.990733 0.828436 0.982866 Co\n0.499762 0.167394 0.497545 Co\n0.991175 0.324590 0.747268 Si\n0.495367 0.678052 0.245695 Si\n0.104904 0.182515 0.965900 O\n0.664939 0.279295 0.744657 O\n0.067841 0.625570 0.748365 O\n0.111002 0.190122 0.529507 O\n0.605298 0.828244 0.454181 O\n0.598644 0.378152 0.254007 O\n0.161429 0.686662 0.237484 O\n0.614922 0.826442 0.037871 O\n",
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"volume": 166.90418099934183,
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{
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"created_at": "2022-09-04T14:37:35.608639Z",
"updated_at": "2022-09-04T14:37:35.608663Z",
"structure_string": "K1 Cu2 P2 H3 O8 F2\n1.0\n4.584763 -0.039240 3.191494\n-3.677356 6.875089 0.000000\n-4.584763 0.039240 3.191494\nK Cu P H O F\n1 2 2 3 8 2\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.566557 0.764147 0.433442 P\n0.433441 0.235853 0.566557 P\n-0.000000 0.500000 0.000000 H\n0.199461 0.713743 0.800537 H\n0.800537 0.286257 0.199462 H\n0.151614 0.570711 0.848385 O\n0.848384 0.429289 0.151614 O\n0.331339 0.267664 0.265130 O\n0.734869 0.267664 0.668659 O\n0.687456 0.684399 0.312543 O\n0.265129 0.732336 0.331340 O\n0.312543 0.315601 0.687456 O\n0.668659 0.732336 0.734869 O\n0.686886 0.001207 0.313112 F\n0.313112 -0.001207 0.686886 F\n",
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{
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"created_at": "2022-09-04T14:37:02.344331Z",
"updated_at": "2022-09-04T14:37:02.344353Z",
"structure_string": "Mg4 N2 F2\n1.0\n3.920681 0.000000 -1.508517\n-0.580416 3.877481 -1.508517\n0.001664 0.001932 5.853568\nMg N F\n4 2 2\ndirect\n0.087549 0.337550 0.175100 Mg\n0.337549 0.087549 0.675100 Mg\n0.912448 0.662449 0.824898 Mg\n0.662449 0.912450 0.324898 Mg\n0.874999 0.125000 0.749999 N\n0.124999 0.875000 0.249999 N\n0.374998 0.624999 0.749999 F\n0.624999 0.375000 0.249999 F\n",
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{
"id": "jvasp-119162",
"created_at": "2022-09-04T14:38:52.034477Z",
"updated_at": "2022-09-04T14:38:52.034501Z",
"structure_string": "Na4 Sc4 Ti4 O16\n1.0\n3.052769 -0.000000 0.000000\n0.000000 9.322526 0.000000\n-0.000000 -0.000000 10.945995\nNa Sc Ti O\n4 4 4 16\ndirect\n0.500000 0.252258 0.900119 Na\n0.500000 0.752258 0.099881 Na\n-0.000000 0.740168 0.597686 Na\n-0.000000 0.240168 0.402314 Na\n0.500000 0.425154 0.142345 Sc\n0.500000 0.925155 0.857655 Sc\n0.500000 0.421661 0.648636 Sc\n0.500000 0.921661 0.351363 Sc\n-0.000000 0.081670 0.139890 Ti\n-0.000000 0.581670 0.860110 Ti\n-0.000000 0.061589 0.635125 Ti\n-0.000000 0.561590 0.364874 Ti\n0.500000 0.529627 0.967651 O\n0.500000 0.029626 0.032348 O\n-0.000000 0.073225 0.810596 O\n-0.000000 0.573225 0.189404 O\n0.500000 0.923801 0.664861 O\n0.500000 0.423801 0.335138 O\n-0.000000 0.394327 0.779041 O\n0.500000 0.698573 0.399058 O\n0.500000 0.625068 0.743510 O\n0.500000 0.125068 0.256490 O\n-0.000000 0.284953 0.088903 O\n-0.000000 0.784954 0.911096 O\n-0.000000 0.987929 0.466673 O\n0.500000 0.198573 0.600941 O\n-0.000000 0.894327 0.220958 O\n-0.000000 0.487928 0.533327 O\n",
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{
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"created_at": "2022-09-04T14:38:32.195541Z",
"updated_at": "2022-09-04T14:38:32.195570Z",
"structure_string": "V3 Co1 P4 O16\n1.0\n5.728050 -0.000000 0.000000\n0.000000 4.756598 0.039538\n-0.000000 -0.004449 9.800016\nV Co P O\n3 1 4 16\ndirect\n-0.000000 0.452037 0.770268 V\n0.500000 0.564190 0.227297 V\n0.500000 0.949107 0.730698 V\n-0.000000 0.057085 0.272064 Co\n0.500000 0.130175 0.409468 P\n0.500000 0.383174 0.913343 P\n-0.000000 0.591949 0.088397 P\n-0.000000 0.890446 0.587809 P\n0.790789 0.740121 0.668295 O\n0.500000 0.815224 0.381377 O\n0.500000 0.699193 0.887707 O\n0.213834 0.736223 0.163880 O\n0.786166 0.736223 0.163880 O\n-0.000000 0.673585 0.936653 O\n0.500000 0.313686 0.064640 O\n-0.000000 0.204781 0.616366 O\n0.290895 0.235884 0.834566 O\n-0.000000 0.275722 0.104704 O\n0.209211 0.740121 0.668295 O\n0.706895 0.288216 0.336608 O\n0.293106 0.288216 0.336608 O\n0.500000 0.174784 0.564124 O\n0.709105 0.235884 0.834566 O\n-0.000000 0.823977 0.438388 O\n",
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{
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"structure_string": "Yb1 Ga1 O3\n1.0\n3.817350 0.000000 0.000000\n0.000000 3.817350 0.000000\n0.000000 -0.000000 3.817350\nYb Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"structure_string": "Cr4 O8\n1.0\n5.670994 0.076900 0.054377\n2.902095 5.026576 -0.000000\n2.902095 1.675525 4.739101\nCr O\n4 8\ndirect\n0.270099 0.243301 0.243300 Cr\n0.641632 0.100465 0.628952 Cr\n0.641632 0.628952 0.100464 Cr\n0.641632 0.628953 0.628952 Cr\n0.392854 0.367421 0.367421 O\n0.392854 0.367422 0.872304 O\n0.392854 0.872305 0.367421 O\n0.863688 0.378770 0.378770 O\n0.405847 0.864719 0.864717 O\n0.829753 0.409884 0.880182 O\n0.829753 0.880182 0.409884 O\n0.829753 0.880183 0.880182 O\n",
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{
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{
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"structure_string": "Zr2 Cr1 N3\n1.0\n2.364292 0.006828 6.032997\n2.018225 2.345666 -0.000000\n-0.000000 0.000000 12.065992\nZr Cr N\n2 1 3\ndirect\n0.000000 -0.000000 0.649200 Zr\n0.000000 -0.000000 0.350800 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500001 0.500000 N\n0.000000 -0.000000 0.830727 N\n0.000000 -0.000000 0.169273 N\n",
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}