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{
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{
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"formula_full": "Cs8 U8 Te48",
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{
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"created_at": "2022-09-04T14:47:15.720070Z",
"structure_string": "Cu3 Ni4 O12\n1.0\n-3.639677 3.639677 3.639677\n3.639677 -3.639677 3.639677\n3.639677 3.639677 -3.639677\nCu Ni O\n3 4 12\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.319264 0.145149 0.825885 O\n0.680736 0.854851 0.174115 O\n0.680736 0.506621 0.825885 O\n0.493379 0.174115 0.319264 O\n0.174115 0.319264 0.493379 O\n0.825885 0.319264 0.145149 O\n0.854851 0.174115 0.680736 O\n0.825885 0.680736 0.506621 O\n0.319264 0.493379 0.174115 O\n0.506621 0.825885 0.680736 O\n0.174115 0.680736 0.854851 O\n0.145149 0.825885 0.319264 O\n",
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"formula_full": "Cu3 Ni4 O12",
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{
"id": "mp-1220133",
"created_at": "2022-09-04T14:47:15.835946Z",
"structure_string": "Nd1 Zr3 Mn8\n1.0\n-2.442712 -4.441999 0.003364\n-2.442712 4.441999 -0.003364\n0.000000 0.006412 -8.390554\nNd Zr Mn\n1 3 8\ndirect\n0.666615 0.333385 0.561201 Nd\n0.334708 0.665292 0.430014 Zr\n0.334635 0.665365 0.063690 Zr\n0.665062 0.334938 0.940511 Zr\n0.998127 0.001873 0.497483 Mn\n0.999174 0.000826 0.001661 Mn\n0.173543 0.336560 0.760901 Mn\n0.172015 0.827985 0.760049 Mn\n0.663440 0.826457 0.760901 Mn\n0.829642 0.666777 0.240548 Mn\n0.829816 0.170184 0.242495 Mn\n0.333223 0.170358 0.240548 Mn\n",
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"volume": 182.0837141068548,
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"formula_full": "Nd1 Zr3 Mn8",
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{
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"created_at": "2022-09-04T14:47:24.884562Z",
"structure_string": "Mg2 Ti2 Mo2 S8\n1.0\n6.252369 0.000338 3.610479\n2.104665 6.039744 3.575471\n-0.060997 -0.086031 7.326615\nMg Ti Mo S\n2 2 2 8\ndirect\n0.871566 0.878416 0.878416 Mg\n0.128434 0.121594 0.121584 Mg\n0.499998 0.500016 0.499977 Ti\n1.000000 0.499988 0.500015 Ti\n0.500003 0.499997 0.000003 Mo\n0.499998 0.999994 0.500003 Mo\n0.739465 0.740197 0.740198 S\n0.256943 0.263803 0.722250 S\n0.256941 0.722261 0.263792 S\n0.719845 0.259796 0.259790 S\n0.743046 0.277744 0.736200 S\n0.280159 0.740189 0.740214 S\n0.260534 0.259800 0.259810 S\n0.743073 0.736198 0.277749 S\n",
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{
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"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.673264 -4.630229 0.000000\n2.673264 4.630229 0.000000\n0.000000 0.000000 7.888345\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.766387 Ni\n0.666667 0.333333 0.766387 Ni\n0.333333 0.666667 0.233613 Ni\n0.666667 0.333333 0.233613 Ni\n0.334856 0.334856 0.696354 O\n0.665144 0.000000 0.696354 O\n0.000000 0.665144 0.696354 O\n0.665144 0.665144 0.303646 O\n0.000000 0.334856 0.303646 O\n0.334856 0.000000 0.303646 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Li4 Fe3 Te1 O8\n1.0\n5.994680 0.000000 0.000000\n-0.322383 6.641195 0.000000\n-0.058139 -0.044927 4.991251\nLi Fe Te O\n4 3 1 8\ndirect\n0.605377 0.973361 0.094335 Li\n0.135529 0.507319 0.418180 Li\n0.883697 0.984567 0.546903 Li\n0.373037 0.503556 0.911387 Li\n0.148400 0.966266 0.093932 Fe\n0.618948 0.510273 0.422477 Fe\n0.374290 0.002862 0.590875 Fe\n0.862879 0.434206 0.913414 Te\n0.124181 0.402649 0.077705 O\n0.615180 0.407090 0.117065 O\n0.137887 0.906949 0.418903 O\n0.606592 0.893483 0.427697 O\n0.396281 0.391038 0.586143 O\n0.877181 0.422922 0.558156 O\n0.370024 0.900306 0.893098 O\n0.870518 0.819553 0.929729 O\n",
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"formula_full": "Li4 Fe3 Te1 O8",
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{
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"structure_string": "Li8 Fe4 O2 F16\n1.0\n2.557732 4.421113 0.000000\n-2.557732 4.421113 0.000000\n0.000000 0.027321 14.025788\nLi Fe O F\n8 4 2 16\ndirect\n0.331141 0.320179 0.309662 Li\n0.342829 0.331452 0.015965 Li\n0.320179 0.331141 0.809662 Li\n0.331452 0.342829 0.515965 Li\n0.648803 0.687033 0.189860 Li\n0.687033 0.648803 0.689860 Li\n0.675989 0.665568 0.983909 Li\n0.665568 0.675989 0.483909 Li\n0.015127 0.003889 0.149132 Fe\n0.003889 0.015127 0.649132 Fe\n0.016050 0.996984 0.350438 Fe\n0.996984 0.016050 0.850438 Fe\n0.270340 0.002722 0.249719 O\n0.002722 0.270340 0.749719 O\n0.701012 0.982509 0.751610 F\n0.661610 0.020217 0.412355 F\n0.654231 0.321333 0.918331 F\n0.331940 0.018397 0.917500 F\n0.018397 0.331940 0.417500 F\n0.321333 0.654231 0.418331 F\n0.978620 0.347467 0.079035 F\n0.685488 0.299017 0.247442 F\n0.020217 0.661610 0.912355 F\n0.670665 0.347065 0.581514 F\n0.982509 0.701012 0.251610 F\n0.975055 0.682568 0.586647 F\n0.682568 0.975055 0.086647 F\n0.347065 0.670665 0.081514 F\n0.299017 0.685488 0.747442 F\n0.347467 0.978620 0.579035 F\n",
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"formula_full": "Li8 Fe4 O2 F16",
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{
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"structure_string": "Ba4 Mg2 Ti4 Cu2 F28\n1.0\n2.660908 7.151138 0.000000\n-2.660908 7.151138 0.000000\n0.000000 0.838066 14.925962\nBa Mg Ti Cu F\n4 2 4 2 28\ndirect\n0.087133 0.272051 0.874558 Ba\n0.272051 0.087133 0.374558 Ba\n0.912867 0.727949 0.125442 Ba\n0.727949 0.912867 0.625442 Ba\n0.450006 0.549994 0.750000 Mg\n0.549994 0.450006 0.250000 Mg\n0.102256 0.142822 0.625484 Ti\n0.897744 0.857178 0.374516 Ti\n0.142822 0.102256 0.125484 Ti\n0.857178 0.897744 0.874516 Ti\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.895498 0.105968 0.163810 F\n0.875119 0.422240 0.046418 F\n0.124881 0.577760 0.953582 F\n0.643799 0.857475 0.896878 F\n0.608085 0.484284 0.867744 F\n0.515716 0.391915 0.632256 F\n0.422240 0.875119 0.546418 F\n0.894032 0.104502 0.336190 F\n0.355973 0.977538 0.724506 F\n0.356201 0.142525 0.103122 F\n0.804842 0.422140 0.707563 F\n0.142525 0.356201 0.603122 F\n0.422140 0.804842 0.207563 F\n0.195158 0.577860 0.292437 F\n0.484284 0.608085 0.367744 F\n0.644027 0.022462 0.275494 F\n0.097416 0.735819 0.482583 F\n0.104502 0.894032 0.836190 F\n0.902584 0.264181 0.517417 F\n0.735819 0.097416 0.982583 F\n0.577760 0.124881 0.453582 F\n0.577860 0.195158 0.792437 F\n0.977538 0.355973 0.224506 F\n0.264181 0.902584 0.017417 F\n0.391915 0.515716 0.132256 F\n0.105968 0.895498 0.663810 F\n0.022462 0.644027 0.775494 F\n0.857475 0.643799 0.396878 F\n",
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{
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