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{
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{
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"structure_string": "Zn4 Mo4 F20\n1.0\n10.383133 0.000000 0.000000\n0.000000 5.367659 0.000000\n0.000000 2.607411 7.571672\nZn Mo F\n4 4 20\ndirect\n0.988888 0.487650 0.773233 Zn\n0.488888 0.512350 0.726767 Zn\n0.011112 0.512350 0.226767 Zn\n0.511112 0.487650 0.273233 Zn\n0.756194 0.078022 0.616397 Mo\n0.256194 0.921978 0.883603 Mo\n0.243806 0.921978 0.383603 Mo\n0.743806 0.078022 0.116397 Mo\n0.885797 0.389771 0.590865 F\n0.385797 0.610229 0.909135 F\n0.114203 0.610229 0.409135 F\n0.614203 0.389771 0.090865 F\n0.603856 0.338802 0.507706 F\n0.103856 0.661198 0.992294 F\n0.396144 0.661198 0.492294 F\n0.896144 0.338802 0.007706 F\n0.416083 0.162920 0.784566 F\n0.916083 0.837080 0.715434 F\n0.583917 0.837080 0.215434 F\n0.083917 0.162920 0.284566 F\n0.134731 0.253925 0.835567 F\n0.634731 0.746075 0.664433 F\n0.865269 0.746075 0.164433 F\n0.365269 0.253925 0.335567 F\n0.690194 0.107274 0.857677 F\n0.190194 0.892726 0.642323 F\n0.309806 0.892726 0.142323 F\n0.809806 0.107274 0.357677 F\n",
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{
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"structure_string": "Li3 Ni5 O10\n1.0\n2.467692 4.338221 0.005289\n3.255128 0.002228 4.860829\n4.106638 -1.425501 -4.823799\nLi Ni O\n3 5 10\ndirect\n0.599978 0.299986 0.800009 Li\n0.398114 0.698231 0.195154 Li\n0.801889 0.901706 0.404782 Li\n0.999125 0.005752 0.993854 Ni\n0.200881 0.594085 0.606166 Ni\n0.599949 0.800058 0.800043 Ni\n0.398239 0.200776 0.200861 Ni\n0.801775 0.399331 0.399154 Ni\n0.094658 0.080520 0.284139 O\n0.105228 0.519239 0.315311 O\n0.676983 0.340890 0.128161 O\n0.523269 0.258775 0.471633 O\n0.666605 0.880764 0.089206 O\n0.533592 0.719300 0.510804 O\n0.331558 0.126850 0.916929 O\n0.868193 0.473136 0.683052 O\n0.319250 0.670241 0.885741 O\n0.880716 0.930358 0.714998 O\n",
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{
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"structure_string": "Sr2 Tb1 Fe1 O6\n1.0\n-0.000000 -4.077935 -4.077935\n4.077935 -0.000000 -4.077935\n4.077935 -4.077935 -0.000000\nSr Tb Fe O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Fe\n0.769364 0.230636 0.230636 O\n0.230636 0.769364 0.769364 O\n0.769364 0.230636 0.769364 O\n0.230636 0.769364 0.230636 O\n0.769364 0.769364 0.230636 O\n0.230636 0.230636 0.769364 O\n",
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{
"id": "mp-1201749",
"created_at": "2022-09-04T14:46:12.060932Z",
"structure_string": "Sr16 As16 O56\n1.0\n7.243804 0.000000 0.000000\n0.000000 7.243804 0.000000\n0.000000 0.000000 26.121245\nSr As O\n16 16 56\ndirect\n0.123795 0.757011 0.512301 Sr\n0.876205 0.242989 0.012301 Sr\n0.757011 0.876205 0.262301 Sr\n0.242989 0.123795 0.762301 Sr\n0.232892 0.727396 0.874576 Sr\n0.767108 0.272604 0.374576 Sr\n0.727396 0.767108 0.624576 Sr\n0.272604 0.232892 0.124576 Sr\n0.103717 0.346638 0.626774 Sr\n0.896283 0.653362 0.126774 Sr\n0.346638 0.896283 0.376774 Sr\n0.653362 0.103717 0.876774 Sr\n0.526293 0.153868 0.521510 Sr\n0.473707 0.846132 0.021510 Sr\n0.153868 0.473707 0.271510 Sr\n0.846132 0.526293 0.771510 Sr\n0.250223 0.855436 0.637243 As\n0.749777 0.144564 0.137243 As\n0.855436 0.749777 0.387243 As\n0.144564 0.250223 0.887243 As\n0.017602 0.277831 0.496327 As\n0.982398 0.722169 0.996327 As\n0.277831 0.982398 0.246327 As\n0.722169 0.017602 0.746327 As\n0.311853 0.605392 0.738629 As\n0.688147 0.394608 0.238629 As\n0.605392 0.688147 0.488629 As\n0.394608 0.311853 0.988629 As\n0.265344 0.354041 0.394083 As\n0.734656 0.645959 0.894083 As\n0.354041 0.734656 0.144083 As\n0.645959 0.265344 0.644083 As\n0.200893 0.764992 0.775462 O\n0.799107 0.235008 0.275462 O\n0.764992 0.799107 0.525462 O\n0.235008 0.200893 0.025462 O\n0.408013 0.887025 0.589628 O\n0.591987 0.112975 0.089628 O\n0.887025 0.591987 0.339628 O\n0.112975 0.408013 0.839628 O\n0.078917 0.715522 0.614272 O\n0.921083 0.284478 0.114272 O\n0.715522 0.921083 0.364272 O\n0.284478 0.078917 0.864272 O\n0.985891 0.445581 0.540892 O\n0.014109 0.554419 0.040892 O\n0.445581 0.014109 0.290892 O\n0.554419 0.985891 0.790892 O\n0.167124 0.114873 0.518554 O\n0.832876 0.885127 0.018554 O\n0.114873 0.832876 0.268554 O\n0.885127 0.167124 0.768554 O\n0.131721 0.424135 0.449012 O\n0.868279 0.575865 0.949012 O\n0.424135 0.868279 0.199012 O\n0.575865 0.131721 0.699012 O\n0.498349 0.499309 0.763064 O\n0.501651 0.500691 0.263064 O\n0.499309 0.501651 0.513064 O\n0.500691 0.498349 0.013064 O\n0.171390 0.043594 0.668788 O\n0.828610 0.956406 0.168788 O\n0.043594 0.828610 0.418788 O\n0.956406 0.171390 0.918788 O\n0.153853 0.443857 0.718645 O\n0.846147 0.556143 0.218645 O\n0.443857 0.846147 0.468645 O\n0.556143 0.153853 0.968645 O\n0.824084 0.197788 0.467727 O\n0.175916 0.802212 0.967727 O\n0.197788 0.175916 0.217727 O\n0.802212 0.824084 0.717727 O\n0.328697 0.552908 0.365292 O\n0.671303 0.447092 0.865292 O\n0.552908 0.671303 0.115292 O\n0.447092 0.328697 0.615292 O\n0.393049 0.725118 0.681254 O\n0.606951 0.274882 0.181254 O\n0.725118 0.606951 0.431254 O\n0.274882 0.393049 0.931254 O\n0.120431 0.226931 0.356241 O\n0.879569 0.773069 0.856241 O\n0.226931 0.879569 0.106241 O\n0.773069 0.120431 0.606241 O\n0.443729 0.217500 0.414324 O\n0.556271 0.782501 0.914324 O\n0.217500 0.556271 0.164324 O\n0.782501 0.443729 0.664324 O\n",
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"formula_full": "Sr16 As16 O56",
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{
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"structure_string": "Sc1 Ga1 Pd2\n1.0\n0.000000 3.198844 3.198844\n3.198844 0.000000 3.198844\n3.198844 3.198844 0.000000\nSc Ga Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
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{
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{
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{
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"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.805335 0.000000 0.000000\n0.000000 3.805335 0.000000\n0.000000 0.000000 9.172854\nBa Ta Cu O\n1 1 1 5\ndirect\n0.500000 0.500000 0.029303 Ba\n0.000000 0.000000 0.708395 Ta\n0.000000 0.000000 0.275306 Cu\n0.500000 0.000000 0.663610 O\n0.000000 0.500000 0.663610 O\n0.500000 0.000000 0.235675 O\n0.000000 0.500000 0.235675 O\n0.000000 0.000000 0.912297 O\n",
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}