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{
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{
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"formula_full": "K1 Nd1 Zr1 Ti1 O6",
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{
"id": "mp-1080296",
"created_at": "2022-09-04T14:40:03.572420Z",
"structure_string": "Ce3 Se6\n1.0\n4.230406 -7.327279 0.000000\n4.230406 7.327279 0.000000\n0.000000 0.000000 9.977081\nCe Se\n3 6\ndirect\n0.490033 0.490033 0.000000 Ce\n0.509967 0.000000 0.666667 Ce\n0.000000 0.509967 0.333333 Ce\n0.535965 0.747568 0.817900 Se\n0.252432 0.788397 0.484566 Se\n0.211603 0.464035 0.151233 Se\n0.747568 0.535965 0.182100 Se\n0.788397 0.252432 0.515434 Se\n0.464035 0.211603 0.848767 Se\n",
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{
"id": "mp-758941",
"created_at": "2022-09-04T14:39:49.609637Z",
"structure_string": "Li4 Fe2 P8 O24\n1.0\n9.375516 0.000000 0.000000\n0.000000 9.375516 0.000000\n0.000000 0.000000 4.669456\nLi Fe P O\n4 2 8 24\ndirect\n0.250000 0.250000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.275874 0.000000 P\n0.775874 0.500000 0.000000 P\n0.224126 0.500000 0.000000 P\n0.000000 0.724126 0.000000 P\n0.500000 0.775874 0.000000 P\n0.275874 0.000000 0.000000 P\n0.724126 0.000000 0.000000 P\n0.500000 0.224126 0.000000 P\n0.570060 0.299740 0.245635 O\n0.429940 0.299740 0.754365 O\n0.115488 0.384512 0.855050 O\n0.884512 0.384512 0.144950 O\n0.299740 0.429940 0.245635 O\n0.700260 0.429940 0.754365 O\n0.700260 0.570060 0.245635 O\n0.299740 0.570060 0.754365 O\n0.115488 0.615488 0.144950 O\n0.884512 0.615488 0.855050 O\n0.429940 0.700260 0.245635 O\n0.570060 0.700260 0.754365 O\n0.929940 0.799740 0.245635 O\n0.070060 0.799740 0.754365 O\n0.384512 0.884512 0.855050 O\n0.615488 0.884512 0.144950 O\n0.200260 0.929940 0.245635 O\n0.799740 0.929940 0.754365 O\n0.799740 0.070060 0.245635 O\n0.200260 0.070060 0.754365 O\n0.384512 0.115488 0.144950 O\n0.615488 0.115488 0.855050 O\n0.929940 0.200260 0.754365 O\n0.070060 0.200260 0.245635 O\n",
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"chemical_system": "Fe-Li-O-P",
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"volume": 410.4465844800706,
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"formula_full": "Li4 Fe2 P8 O24",
"formula_reduced": "Li2Fe(PO3)4",
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{
"id": "mp-768734",
"created_at": "2022-09-04T14:40:05.738373Z",
"structure_string": "Sr8 Ca4 I24\n1.0\n16.959545 0.000000 0.000000\n0.000000 10.015723 0.000000\n0.000000 6.093502 9.488804\nSr Ca I\n8 4 24\ndirect\n0.078592 0.812213 0.734080 Sr\n0.578592 0.187787 0.765920 Sr\n0.253975 0.235759 0.780708 Sr\n0.753975 0.764241 0.719292 Sr\n0.246025 0.235759 0.280708 Sr\n0.746025 0.764241 0.219292 Sr\n0.421408 0.812213 0.234080 Sr\n0.921408 0.187787 0.265920 Sr\n0.906343 0.331879 0.705547 Ca\n0.406343 0.668121 0.794453 Ca\n0.593657 0.331879 0.205547 Ca\n0.093657 0.668121 0.294453 Ca\n0.087100 0.400097 0.626175 I\n0.426490 0.425039 0.691509 I\n0.920307 0.074818 0.609400 I\n0.728760 0.450494 0.664565 I\n0.228760 0.549506 0.835435 I\n0.601836 0.090844 0.534093 I\n0.926490 0.574961 0.808491 I\n0.230907 0.053455 0.616732 I\n0.730907 0.946545 0.883268 I\n0.412900 0.400097 0.126175 I\n0.101836 0.909156 0.965907 I\n0.579693 0.074818 0.109400 I\n0.420307 0.925182 0.890600 I\n0.898164 0.090844 0.034093 I\n0.587100 0.599903 0.873825 I\n0.269093 0.053455 0.116732 I\n0.769093 0.946545 0.383268 I\n0.073510 0.425039 0.191509 I\n0.398164 0.909156 0.465907 I\n0.771240 0.450494 0.164565 I\n0.271240 0.549506 0.335435 I\n0.079693 0.925182 0.390600 I\n0.573510 0.574961 0.308491 I\n0.912900 0.599903 0.373825 I\n",
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],
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"formula_full": "Sr8 Ca4 I24",
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{
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"structure_string": "Hg2 F4\n1.0\n5.249083 0.000000 0.000000\n0.000000 5.249083 0.000000\n0.000000 0.000000 3.823331\nHg F\n2 4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.306238 0.306238 0.000000 F\n0.693762 0.693762 0.000000 F\n0.193762 0.806238 0.500000 F\n0.806238 0.193762 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:39:47.619154Z",
"structure_string": "Rb4 Be4 Zn2 O12 F16\n1.0\n11.644065 0.000000 0.000000\n0.000000 5.898747 0.000000\n0.000000 2.242765 8.674994\nRb Be Zn O F\n4 4 2 12 16\ndirect\n0.636868 0.850753 0.891469 Rb\n0.363132 0.149247 0.108531 Rb\n0.136868 0.149247 0.608531 Rb\n0.863132 0.850753 0.391469 Rb\n0.334013 0.757354 0.892989 Be\n0.665987 0.242646 0.107011 Be\n0.834013 0.242646 0.607011 Be\n0.165987 0.757354 0.392989 Be\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.379334 0.318414 0.620398 O\n0.620666 0.681586 0.379602 O\n0.879334 0.681586 0.879602 O\n0.120666 0.318414 0.120398 O\n0.120292 0.432895 0.860421 O\n0.879708 0.567105 0.139579 O\n0.620292 0.567105 0.639579 O\n0.379708 0.432895 0.360421 O\n0.439697 0.846556 0.524416 O\n0.560303 0.153444 0.475584 O\n0.939697 0.153444 0.975584 O\n0.060303 0.846556 0.024416 O\n0.294855 0.520642 0.859106 F\n0.705145 0.479358 0.140894 F\n0.794855 0.479358 0.640894 F\n0.205145 0.520642 0.359106 F\n0.089013 0.716175 0.535160 F\n0.910987 0.283825 0.464840 F\n0.589013 0.283825 0.964840 F\n0.410987 0.716175 0.035160 F\n0.414365 0.892997 0.750688 F\n0.585635 0.107003 0.249312 F\n0.914365 0.107003 0.749312 F\n0.085635 0.892997 0.250688 F\n0.229422 0.921062 0.900682 F\n0.770578 0.078938 0.099318 F\n0.729422 0.078938 0.599318 F\n0.270578 0.921062 0.400682 F\n",
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{
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"structure_string": "H12 Pb4 S8 N12\n1.0\n16.722749 0.000000 0.000000\n0.000000 5.897493 0.000000\n0.000000 0.161745 6.237682\nH Pb S N\n12 4 8 12\ndirect\n0.281233 0.943991 0.174809 H\n0.781233 0.556009 0.825191 H\n0.718767 0.056009 0.825191 H\n0.218767 0.443991 0.174809 H\n0.347315 0.145433 0.217410 H\n0.847315 0.354567 0.782590 H\n0.652685 0.854567 0.782590 H\n0.152685 0.645433 0.217410 H\n0.341319 0.029218 0.977947 H\n0.841319 0.470782 0.022053 H\n0.658681 0.970782 0.022053 H\n0.158681 0.529218 0.977947 H\n0.441855 0.687521 0.223092 Pb\n0.941855 0.812479 0.776908 Pb\n0.558145 0.312479 0.776908 Pb\n0.058145 0.187521 0.223092 Pb\n0.455586 0.786270 0.654118 S\n0.955586 0.713730 0.345882 S\n0.544414 0.213730 0.345882 S\n0.044414 0.286270 0.654118 S\n0.325553 0.475763 0.620363 S\n0.825553 0.024237 0.379637 S\n0.674447 0.524237 0.379637 S\n0.174447 0.975763 0.620363 S\n0.380905 0.627978 0.766238 N\n0.880905 0.872022 0.233762 N\n0.619095 0.372022 0.233762 N\n0.119095 0.127978 0.766238 N\n0.338780 0.475262 0.378211 N\n0.838780 0.024738 0.621789 N\n0.661220 0.524738 0.621789 N\n0.161220 0.975262 0.378211 N\n0.338498 0.996003 0.138992 N\n0.838498 0.503997 0.861008 N\n0.661502 0.003997 0.861008 N\n0.161502 0.496003 0.138992 N\n",
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{
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