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{
"id": "jvasp-42552",
"created_at": "2022-09-04T14:35:47.643827Z",
"updated_at": "2022-09-04T14:35:47.643860Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.530531 -0.015064 0.015042\n0.074127 5.506425 0.001196\n0.102275 0.389827 7.566477\nMn O F\n6 7 5\ndirect\n0.462596 0.480437 0.986322 Mn\n0.518393 0.160373 0.333159 Mn\n0.522613 0.819830 0.663697 Mn\n0.990923 0.678583 0.323128 Mn\n0.960291 0.347356 0.673877 Mn\n0.012727 0.009670 0.019126 Mn\n0.206188 0.709724 0.104360 O\n0.304284 0.199048 0.115076 O\n0.302369 0.538380 0.759207 O\n0.803680 0.285711 0.904843 O\n0.807625 0.970986 0.230947 O\n0.792305 0.631475 0.544070 O\n0.692257 0.123384 0.564876 O\n0.202691 0.373079 0.429362 F\n0.727742 0.794940 0.912532 F\n0.700609 0.480722 0.216774 F\n0.273945 0.872271 0.436260 F\n0.218773 0.024036 0.782388 F\n",
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{
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"structure_string": "Mn6 O8 F4\n1.0\n4.574142 -0.000000 0.000000\n0.000000 4.574142 0.000000\n0.000000 0.000000 9.021535\nMn O F\n6 8 4\ndirect\n0.000000 0.000000 0.183143 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.816857 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.316857 Mn\n0.500000 0.500000 0.683144 Mn\n0.803920 0.196080 0.664357 O\n0.803920 0.196080 0.335644 O\n0.696080 0.696080 0.835644 O\n0.696080 0.696080 0.164356 O\n0.303920 0.303920 0.164356 O\n0.196080 0.803920 0.664357 O\n0.196080 0.803920 0.335644 O\n0.303920 0.303920 0.835644 O\n0.685291 0.685291 0.500000 F\n0.185291 0.814708 0.000000 F\n0.314709 0.314709 0.500000 F\n0.814708 0.185291 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:36:00.561626Z",
"structure_string": "V5 O12\n1.0\n4.897608 -0.022739 -0.007832\n0.042215 5.262350 0.010527\n-0.003342 0.880472 7.325043\nV O\n5 12\ndirect\n0.975474 0.020055 0.984195 V\n0.523871 0.489323 0.515371 V\n0.030349 -0.004400 0.519249 V\n0.467242 0.496233 0.978069 V\n0.006785 0.594991 0.274047 V\n0.317552 0.776579 0.924855 O\n0.196064 0.655263 0.521367 O\n0.814402 0.621742 0.071796 O\n0.327934 0.458550 0.232731 O\n0.612412 0.473755 0.736323 O\n0.838177 0.300589 0.413230 O\n0.105697 0.935083 0.226543 O\n0.677758 0.145830 0.035262 O\n0.894006 0.961480 0.732668 O\n0.711860 0.759672 0.419601 O\n0.175176 0.283595 0.930619 O\n0.325255 0.150253 0.543374 O\n",
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{
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"created_at": "2022-09-04T14:36:07.714730Z",
"updated_at": "2022-09-04T14:36:07.714749Z",
"structure_string": "U3 Sb3 Ru3\n1.0\n0.000000 0.000000 -3.968411\n-3.705158 -6.417524 0.000000\n-3.705837 6.417915 0.000000\nU Sb Ru\n3 3 3\ndirect\n0.500000 0.590447 0.000000 U\n0.500000 0.409576 0.409511 U\n0.500000 0.000067 0.590490 U\n0.000000 0.259998 0.000000 Sb\n0.000000 0.739966 0.739985 Sb\n0.000000 -0.000018 0.260016 Sb\n0.000000 0.333274 0.666673 Ru\n0.000000 0.666603 0.333328 Ru\n0.500000 -0.000013 -0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:36:48.806576Z",
"updated_at": "2022-09-04T14:36:48.806607Z",
"structure_string": "Na2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.436955 -0.023080\n7.060032 0.000000 0.000000\n0.000000 -2.453215 -4.906570\nNa Ca Si H O\n2 2 2 2 8\ndirect\n0.364169 0.765371 0.746998 Na\n0.635829 0.265371 0.253002 Na\n0.996474 0.514206 0.006604 Ca\n0.003524 0.014206 0.993396 Ca\n0.656022 0.754908 0.374207 Si\n0.343976 0.254909 0.625793 Si\n0.964523 -0.000461 0.467610 H\n0.035475 0.499539 0.532390 H\n0.323358 0.763635 0.196851 O\n0.676640 0.263635 0.803149 O\n0.763638 0.761310 0.704848 O\n0.236360 0.261310 0.295152 O\n0.789250 0.572153 0.289323 O\n0.210748 0.072153 0.710677 O\n0.790648 0.951876 0.296242 O\n0.209350 0.451876 0.703757 O\n",
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"formula_full": "Na2 Ca2 Si2 H2 O8",
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{
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"created_at": "2022-09-04T14:36:17.196309Z",
"updated_at": "2022-09-04T14:36:17.196328Z",
"structure_string": "La1 Mg6 Nb1\n1.0\n6.617131 -0.094238 0.000000\n-3.390178 5.683484 0.000000\n0.000000 0.000000 5.060905\nLa Mg Nb\n1 6 1\ndirect\n0.196955 0.303044 0.250000 La\n0.187212 0.829915 0.250000 Mg\n0.670084 0.312787 0.250000 Mg\n0.665645 0.834354 0.250000 Mg\n0.327575 0.686346 0.750001 Mg\n0.813653 0.172424 0.750001 Mg\n0.824912 0.675087 0.750001 Mg\n0.313960 0.186039 0.750001 Nb\n",
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"spacegroup": 38
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{
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"created_at": "2022-09-04T14:36:53.437269Z",
"updated_at": "2022-09-04T14:36:53.437304Z",
"structure_string": "Nd1 Fe3 B4 O12\n1.0\n5.792410 -0.038878 -1.457876\n-1.861238 5.485373 -1.457876\n-0.028062 -0.038878 5.972991\nNd Fe B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.561135 0.438864 Fe\n0.438865 -0.000000 0.561135 Fe\n0.561135 0.438865 -0.000001 Fe\n0.063264 0.499999 0.936735 B\n0.500000 0.499999 0.499999 B\n0.936736 0.063264 0.499999 B\n0.500000 0.936735 0.063263 B\n0.774771 0.030361 0.624563 O\n0.624563 0.774770 0.030360 O\n0.030361 0.624563 0.774770 O\n0.352277 0.647722 0.499999 O\n0.647722 0.499999 0.352276 O\n0.085260 0.914739 0.499999 O\n0.500000 0.085260 0.914739 O\n0.914740 0.499999 0.085259 O\n0.969638 0.225229 0.375436 O\n0.375436 0.969638 0.225228 O\n0.225229 0.375436 0.969638 O\n0.500000 0.352277 0.647722 O\n",
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"created_at": "2022-09-04T14:38:10.409570Z",
"updated_at": "2022-09-04T14:38:10.409590Z",
"structure_string": "Dy2 Nb2 O8\n1.0\n4.014579 -0.006461 0.002900\n-1.997226 6.798755 0.013097\n-0.011010 -2.042973 6.911851\nDy Nb O\n2 2 8\ndirect\n0.799896 0.607671 0.211412 Dy\n0.190638 0.389638 0.788014 Dy\n0.897498 0.802760 0.793936 Nb\n0.092905 0.194551 0.205478 Nb\n0.945841 0.899967 0.131231 O\n0.861855 0.732547 0.527047 O\n0.236333 0.480633 0.138505 O\n0.371706 0.751738 0.810341 O\n0.618823 0.245553 0.189053 O\n0.754206 0.516681 0.860919 O\n0.128764 0.264839 0.472372 O\n0.044709 0.097343 0.868194 O\n",
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{
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"created_at": "2022-09-04T14:36:50.959777Z",
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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.887312 -0.106809 0.032836\n1.889750 5.712987 1.681233\n-0.043366 0.215934 6.771230\nTi H C O\n1 10 6 4\ndirect\n0.656470 0.192550 0.290577 Ti\n0.223785 0.461776 0.708520 H\n0.717833 0.096186 0.910653 H\n0.499918 0.676883 0.841043 H\n0.181178 0.881377 0.869406 H\n0.896467 0.678196 0.702122 H\n0.918157 0.504024 0.394954 H\n0.725832 0.355840 0.590843 H\n0.531893 0.596282 0.369759 H\n0.958556 0.864159 0.118986 H\n0.579638 0.900378 0.109251 H\n0.744815 -0.007173 0.075630 C\n0.727004 0.444997 0.423128 C\n0.077827 0.447664 0.003383 C\n0.268196 0.929481 0.560574 C\n0.277160 0.765748 0.775824 C\n0.109786 0.590394 0.786141 C\n0.851241 0.395811 0.041784 O\n0.051904 0.990560 0.432348 O\n0.485914 0.006642 0.518681 O\n0.295618 0.377118 0.141819 O\n",
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"structure_string": "Ba2 Pr2 O6\n1.0\n5.605637 -0.000000 3.234698\n1.875493 5.248554 3.224377\n0.020556 0.034466 6.438928\nBa Pr O\n2 2 6\ndirect\n0.768211 0.250000 0.250000 Ba\n0.231790 0.750000 0.750001 Ba\n0.500000 0.000000 -0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.188281 0.311720 0.811719 O\n0.811720 0.188281 0.688281 O\n0.811720 0.688280 0.188281 O\n0.188281 0.811719 0.311720 O\n0.646769 0.750000 0.750000 O\n0.353232 0.250000 0.250000 O\n",
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{
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{
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"created_at": "2022-09-04T14:36:13.487418Z",
"updated_at": "2022-09-04T14:36:13.487440Z",
"structure_string": "Rb2 Mn2 Sb2\n1.0\n4.726808 0.000000 0.000000\n0.000000 4.726808 -0.000000\n-0.000000 -0.000000 8.443872\nRb Mn Sb\n2 2 2\ndirect\n0.250000 0.250000 0.649507 Rb\n0.750000 0.750000 0.350493 Rb\n0.250000 0.750000 0.000000 Mn\n0.750000 0.250000 0.000000 Mn\n0.250000 0.250000 0.177449 Sb\n0.750000 0.750000 0.822551 Sb\n",
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}
]
}