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{
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{
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"nsites": 44,
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"formula_full": "Ca4 Al4 Fe2 Si6 H2 O26",
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{
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{
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"created_at": "2022-09-04T14:41:59.760381Z",
"structure_string": "Li2 Fe2 P8 O24\n1.0\n3.685322 7.730732 0.000000\n-3.685322 7.730732 0.000000\n0.000000 10.287572 8.226870\nLi Fe P O\n2 2 8 24\ndirect\n0.946630 0.053370 0.250000 Li\n0.053370 0.946630 0.750000 Li\n0.607995 0.392005 0.750000 Fe\n0.392005 0.607995 0.250000 Fe\n0.429196 0.087260 0.359952 P\n0.912740 0.570804 0.140048 P\n0.695095 0.856838 0.838703 P\n0.087260 0.429196 0.859952 P\n0.570804 0.912740 0.640048 P\n0.304905 0.143162 0.161297 P\n0.856838 0.695095 0.338703 P\n0.143162 0.304905 0.661297 P\n0.474256 0.265111 0.990354 O\n0.049260 0.305025 0.209942 O\n0.950740 0.694975 0.790058 O\n0.669635 0.571148 0.226633 O\n0.649508 0.931242 0.711014 O\n0.276854 0.938637 0.209543 O\n0.068758 0.350492 0.788986 O\n0.265111 0.474256 0.490354 O\n0.701714 0.033264 0.460885 O\n0.966736 0.298286 0.039115 O\n0.305025 0.049260 0.709942 O\n0.525744 0.734889 0.009646 O\n0.571148 0.669635 0.726633 O\n0.061363 0.723146 0.290457 O\n0.350492 0.068758 0.288986 O\n0.428852 0.330365 0.273367 O\n0.938637 0.276854 0.709543 O\n0.694975 0.950740 0.290058 O\n0.033264 0.701714 0.960885 O\n0.298286 0.966736 0.539115 O\n0.734889 0.525744 0.509646 O\n0.931242 0.649508 0.211014 O\n0.723146 0.061363 0.790457 O\n0.330365 0.428852 0.773367 O\n",
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{
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"structure_string": "Ti1 Fe2 Bi2 Pb1 O9\n1.0\n0.000000 0.000000 4.765471\n3.819871 3.819871 0.000000\n-7.618660 3.798790 0.000000\nTi Fe Bi Pb O\n1 2 2 1 9\ndirect\n0.521447 0.166667 0.333333 Ti\n0.506399 0.502913 0.005827 Fe\n0.506399 0.830420 0.660840 Fe\n0.934138 0.992419 0.984838 Bi\n0.934138 0.340914 0.681829 Bi\n0.968171 0.666667 0.333333 Pb\n0.647005 0.666667 0.833333 O\n0.641990 0.326224 0.165349 O\n0.641990 0.007109 0.501318 O\n0.641990 0.494210 0.501318 O\n0.647005 0.166667 0.833333 O\n0.641990 0.839123 0.165349 O\n0.119134 0.845617 0.691234 O\n0.119134 0.487716 0.975433 O\n0.152990 0.166667 0.333333 O\n",
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{
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"structure_string": "Li6 Ti1 Cr3 P6 O24\n1.0\n8.482826 -0.255364 -0.174642\n4.280639 7.422001 -0.172867\n4.282689 2.407065 6.998571\nLi Ti Cr P O\n6 1 3 6 24\ndirect\n0.027090 0.005552 0.997314 Li\n0.749239 0.152553 0.349313 Li\n0.474344 0.503590 0.496398 Li\n0.265048 0.845550 0.657997 Li\n0.658380 0.264195 0.839912 Li\n0.842265 0.659367 0.261930 Li\n0.853629 0.852713 0.851607 Ti\n0.142258 0.145313 0.139131 Cr\n0.358327 0.361296 0.355411 Cr\n0.644309 0.646992 0.646256 Cr\n0.049590 0.749303 0.446993 P\n0.445865 0.050973 0.748355 P\n0.749814 0.450443 0.045984 P\n0.250820 0.539050 0.960480 P\n0.541193 0.964154 0.251115 P\n0.958393 0.249547 0.534778 P\n0.131808 0.286783 0.498287 O\n0.295950 0.513201 0.124223 O\n0.052376 0.921018 0.265298 O\n0.531707 0.124301 0.293155 O\n0.238884 0.590159 0.433110 O\n0.010046 0.806724 0.613238 O\n0.257629 0.076207 0.907532 O\n0.455022 0.233202 0.576891 O\n0.591963 0.433548 0.239630 O\n0.199788 0.378655 0.989856 O\n0.089253 0.734207 0.930465 O\n0.370749 0.004935 0.207694 O\n0.613221 0.006395 0.809127 O\n0.906307 0.257398 0.072877 O\n0.810615 0.612336 0.008126 O\n0.413017 0.562900 0.768389 O\n0.561290 0.772726 0.413047 O\n0.733059 0.930412 0.087172 O\n0.972327 0.200716 0.377363 O\n0.768779 0.412655 0.562201 O\n0.470472 0.892185 0.694390 O\n0.932623 0.087271 0.729741 O\n0.693633 0.477874 0.888306 O\n0.888917 0.692604 0.477909 O\n",
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{
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"structure_string": "Mn2 Si2 Ag4 Se8\n1.0\n0.000000 0.000000 -6.895696\n0.000000 -7.315569 0.000000\n-8.050842 0.000000 0.000000\nMn Si Ag Se\n2 2 4 8\ndirect\n0.502414 0.356322 0.000000 Mn\n0.002414 0.643678 0.500000 Mn\n0.999758 0.663882 0.000000 Si\n0.499758 0.336118 0.500000 Si\n0.519994 0.826624 0.751379 Ag\n0.019994 0.173376 0.748621 Ag\n0.019994 0.173376 0.251379 Ag\n0.519994 0.826624 0.248621 Ag\n0.871689 0.373990 0.000000 Se\n0.371689 0.626010 0.500000 Se\n0.901972 0.822804 0.764294 Se\n0.401972 0.177196 0.735706 Se\n0.401972 0.177196 0.264294 Se\n0.901972 0.822804 0.235706 Se\n0.334706 0.660033 0.000000 Se\n0.834706 0.339967 0.500000 Se\n",
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{
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"structure_string": "Na2 Fe2 W4 O16\n1.0\n5.829680 0.000000 0.000000\n0.000000 5.077779 0.000000\n0.000000 0.161092 10.024697\nNa Fe W O\n2 2 4 16\ndirect\n0.687744 0.750000 0.500000 Na\n0.312256 0.250000 0.500000 Na\n0.660807 0.750000 0.000000 Fe\n0.339193 0.250000 0.000000 Fe\n0.176267 0.760466 0.764440 W\n0.176267 0.739534 0.235560 W\n0.823733 0.239534 0.235560 W\n0.823733 0.260466 0.764440 W\n0.124815 0.077385 0.874883 O\n0.124815 0.422615 0.125117 O\n0.875185 0.922615 0.125117 O\n0.875185 0.577385 0.874883 O\n0.090595 0.448563 0.670978 O\n0.090595 0.051437 0.329022 O\n0.909405 0.551437 0.329022 O\n0.909405 0.948563 0.670978 O\n0.375117 0.591501 0.892472 O\n0.375117 0.908499 0.107528 O\n0.624883 0.408499 0.107528 O\n0.624883 0.091501 0.892472 O\n0.623288 0.378547 0.645921 O\n0.623288 0.121453 0.354079 O\n0.376712 0.621453 0.354079 O\n0.376712 0.878547 0.645921 O\n",
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