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{
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"structure_string": "Fe9 Cu3 O16\n1.0\n5.757646 0.000680 0.000201\n-0.000724 5.757534 0.022052\n-0.000181 -0.031195 8.143451\nFe Cu O\n9 3 16\ndirect\n0.000010 0.000007 0.000005 Fe\n0.251010 0.500001 0.124877 Fe\n0.748982 0.500001 0.124875 Fe\n0.999996 0.250671 0.375039 Fe\n0.999997 0.749333 0.375034 Fe\n0.749338 -0.000003 0.624964 Fe\n0.250668 0.999994 0.624962 Fe\n0.500008 0.251010 0.875121 Fe\n0.500005 0.748985 0.875122 Fe\n0.000011 0.499988 0.748257 Cu\n0.499996 -0.000002 0.251745 Cu\n0.499995 0.500003 0.500008 Cu\n0.000003 0.778111 0.609779 O\n0.271546 -0.000000 0.865440 O\n0.728468 -0.000003 0.865442 O\n0.500005 0.777568 0.640070 O\n0.500003 0.222425 0.640065 O\n0.000000 0.221875 0.609781 O\n0.221871 0.000002 0.390213 O\n0.499998 0.279344 0.111781 O\n0.777567 0.500003 0.359931 O\n0.222424 0.500000 0.359933 O\n-0.000003 0.728462 0.134557 O\n-0.000005 0.271545 0.134561 O\n0.279357 0.499999 0.888219 O\n0.499994 0.720658 0.111780 O\n0.778120 0.000004 0.390217 O\n0.720657 0.499998 0.888216 O\n",
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{
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{
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"structure_string": "Li4 Fe4 Si4 O16\n1.0\n0.000000 5.037405 -0.000717\n6.357628 0.000000 0.000000\n0.000000 -0.002270 -10.743678\nLi Fe Si O\n4 4 4 16\ndirect\n0.260192 0.232441 0.837547 Li\n0.760187 0.267557 0.161894 Li\n0.760187 0.732444 0.661894 Li\n0.260192 0.767559 0.337547 Li\n0.260838 0.529074 0.084252 Fe\n0.260838 0.470926 0.584252 Fe\n0.760863 0.970918 0.915197 Fe\n0.760863 0.029082 0.415197 Fe\n0.763869 0.228771 0.673321 Si\n0.763869 0.771229 0.173321 Si\n0.263876 0.728770 0.826125 Si\n0.263876 0.271230 0.326124 Si\n0.589211 0.242664 0.325064 O\n0.650228 0.201429 0.816601 O\n0.129563 0.056930 0.386704 O\n0.692493 0.018894 0.587698 O\n0.692493 0.981107 0.087698 O\n0.129563 0.943070 0.886704 O\n0.650228 0.798571 0.316600 O\n0.192497 0.481109 0.411745 O\n0.089205 0.742655 0.174384 O\n0.150207 0.701443 0.682840 O\n0.629550 0.556922 0.112743 O\n0.192497 0.518891 0.911746 O\n0.089205 0.257345 0.674384 O\n0.629550 0.443079 0.612743 O\n0.589211 0.757336 0.825064 O\n0.150207 0.298557 0.182840 O\n",
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{
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"structure_string": "Mn11 Zn1 O16\n1.0\n-2.927488 2.927488 4.140494\n2.927488 -2.927488 4.140494\n5.952442 5.952442 0.000000\nMn Zn O\n11 1 16\ndirect\n0.500003 -0.000014 -0.006463 Mn\n-0.000000 0.250000 0.875000 Mn\n0.749985 0.750003 0.756463 Mn\n-0.000005 0.496756 0.503536 Mn\n0.500000 0.250000 0.627411 Mn\n0.250013 0.749996 0.756463 Mn\n0.000004 0.003244 0.503536 Mn\n0.246755 0.249996 0.246464 Mn\n0.753244 0.250003 0.246464 Mn\n0.499996 0.500013 -0.006463 Mn\n-0.000001 0.750000 0.122589 Mn\n0.499999 0.749999 0.375000 Zn\n0.239921 0.249988 0.502127 O\n0.499991 0.991104 0.756782 O\n0.741103 0.749991 0.993217 O\n0.500008 0.508895 0.756782 O\n0.230042 0.749986 0.519525 O\n-0.000000 0.515449 0.759420 O\n0.769956 0.750012 0.519525 O\n0.000012 0.010079 0.247872 O\n0.760079 0.250011 0.502127 O\n0.499986 0.480043 0.230475 O\n0.500013 0.019956 0.230475 O\n0.265448 0.250000 -0.009420 O\n-0.000001 0.984551 0.759420 O\n0.734551 0.249999 -0.009420 O\n-0.000012 0.489921 0.247872 O\n0.258895 0.750008 0.993217 O\n",
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{
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"updated_at": "2022-09-04T14:37:49.952346Z",
"structure_string": "K8 Na4 Tl4 O12\n1.0\n0.000000 6.327860 0.054475\n6.983885 0.000000 0.000000\n0.000000 -1.175811 -12.038392\nK Na Tl O\n8 4 4 12\ndirect\n0.573843 0.165865 0.141121 K\n0.929194 0.643202 0.860046 K\n0.070806 0.143201 0.639953 K\n0.573843 0.334135 0.641121 K\n0.426157 0.665865 0.358878 K\n0.070806 0.356799 0.139953 K\n0.426157 0.834136 0.858878 K\n0.929194 0.856799 0.360046 K\n0.361628 0.125156 0.412402 Na\n0.638371 0.874845 0.587597 Na\n0.638371 0.625156 0.087597 Na\n0.361629 0.374845 0.912402 Na\n0.857068 0.368565 0.406354 Tl\n0.857068 0.131435 0.906354 Tl\n0.142932 0.868565 0.093646 Tl\n0.142932 0.631436 0.593645 Tl\n0.242631 0.492061 0.746075 O\n0.722755 0.115726 0.468401 O\n0.722755 0.384275 0.968401 O\n0.277245 0.615726 0.031599 O\n0.794207 0.900111 0.035865 O\n0.205793 0.099890 0.964134 O\n0.205793 0.400110 0.464134 O\n0.242631 0.007939 0.246075 O\n0.757369 0.507939 0.253925 O\n0.757369 0.992062 0.753924 O\n0.277245 0.884275 0.531599 O\n0.794207 0.599890 0.535865 O\n",
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{
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"structure_string": "Na12 Ga4 Se12\n1.0\n7.224569 0.000000 0.000000\n0.000000 7.478247 -0.096382\n0.000000 -0.033924 13.203503\nNa Ga Se\n12 4 12\ndirect\n0.470548 0.725617 0.785130 Na\n0.970548 0.774385 0.714870 Na\n0.529452 0.274384 0.214870 Na\n0.029452 0.225616 0.285130 Na\n0.499690 0.331557 0.607059 Na\n0.999690 0.168444 0.892940 Na\n0.500310 0.668444 0.392941 Na\n0.000310 0.831557 0.107060 Na\n0.499526 0.216192 0.899127 Na\n0.999526 0.283809 0.600872 Na\n0.500474 0.783809 0.100873 Na\n0.000474 0.716192 0.399127 Na\n0.642978 0.086250 0.416015 Ga\n0.142978 0.413750 0.083985 Ga\n0.357022 0.913751 0.583985 Ga\n0.857022 0.586251 0.916015 Ga\n0.703105 0.921940 0.572214 Se\n0.203105 0.578061 0.927786 Se\n0.296895 0.078061 0.427786 Se\n0.796895 0.421940 0.072214 Se\n0.255300 0.074674 0.731426 Se\n0.755300 0.425327 0.768574 Se\n0.744700 0.925327 0.268574 Se\n0.244700 0.574674 0.231426 Se\n0.740560 0.884254 0.926685 Se\n0.240560 0.615748 0.573315 Se\n0.259440 0.115747 0.073315 Se\n0.759440 0.384253 0.426685 Se\n",
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"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-35116",
"created_at": "2022-09-04T14:37:39.671688Z",
"updated_at": "2022-09-04T14:37:39.671699Z",
"structure_string": "Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n",
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],
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{
"id": "jvasp-22207",
"created_at": "2022-09-04T14:37:34.102952Z",
"updated_at": "2022-09-04T14:37:34.102973Z",
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"formula_full": "Mn12 Mo12 C4",
"formula_reduced": "Mn3Mo3C",
"formula_anonymous": "AB3C3",
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"spacegroup": 227
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}