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{
"id": "mp-24220",
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"structure_string": "Cs4 Fe2 H24 S4 O28\n1.0\n6.464856 0.049899 0.000000\n-2.692493 9.009475 0.000000\n0.000000 0.000000 13.014468\nCs Fe H S O\n4 2 24 4 28\ndirect\n0.352392 0.127322 0.356786 Cs\n0.647609 0.372678 0.856786 Cs\n0.647609 0.872678 0.643213 Cs\n0.352391 0.627322 0.143214 Cs\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.312595 0.525191 0.641370 H\n0.687406 0.974809 0.141371 H\n0.687406 0.474809 0.358630 H\n0.312595 0.025191 0.858630 H\n0.333962 0.399220 0.565575 H\n0.666037 0.100781 0.065576 H\n0.926016 0.218867 0.400915 H\n0.073983 0.281132 0.900915 H\n0.073983 0.781133 0.599085 H\n0.926017 0.718867 0.099085 H\n0.093291 0.738484 0.369541 H\n0.906709 0.761516 0.869541 H\n0.906708 0.261516 0.630459 H\n0.093291 0.238483 0.130459 H\n0.325253 0.714345 0.398936 H\n0.674747 0.785655 0.898936 H\n0.674746 0.285655 0.601065 H\n0.325253 0.214345 0.101064 H\n0.018972 0.157339 0.814931 H\n0.981027 0.342660 0.314931 H\n0.333963 0.899220 0.934424 H\n0.666037 0.600780 0.434424 H\n0.018972 0.657340 0.685069 H\n0.981028 0.842661 0.185069 H\n0.259159 0.605147 0.852458 S\n0.740840 0.894853 0.352458 S\n0.259159 0.105148 0.647542 S\n0.740840 0.394853 0.147542 S\n0.830133 0.836118 0.886958 O\n0.830135 0.336118 0.613042 O\n0.007515 0.823873 0.111598 O\n0.992485 0.676127 0.611599 O\n0.992485 0.176127 0.888402 O\n0.007514 0.323873 0.388402 O\n0.294069 0.993890 0.932048 O\n0.169866 0.163882 0.113042 O\n0.705931 0.006110 0.067952 O\n0.294068 0.493890 0.567952 O\n0.941389 0.858409 0.317278 O\n0.058612 0.641591 0.817278 O\n0.058612 0.141591 0.682723 O\n0.941389 0.358409 0.182723 O\n0.605821 0.768930 0.415616 O\n0.394179 0.731070 0.915616 O\n0.394178 0.231069 0.584385 O\n0.605822 0.268930 0.084385 O\n0.797216 0.030748 0.417028 O\n0.202785 0.469253 0.917028 O\n0.202785 0.969252 0.582971 O\n0.797214 0.530747 0.082971 O\n0.611805 0.915259 0.261432 O\n0.388195 0.584741 0.761432 O\n0.388196 0.084741 0.738569 O\n0.611805 0.415259 0.238569 O\n0.169867 0.663883 0.386958 O\n0.705931 0.506110 0.432048 O\n",
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"spacegroup": 14
},
{
"id": "mp-559724",
"created_at": "2022-09-04T14:47:34.230542Z",
"structure_string": "Ta4 S9 Br8\n1.0\n-6.717777 6.717777 3.792420\n6.717777 -6.717777 3.792420\n6.717777 6.717777 -3.792420\nTa S Br\n4 9 8\ndirect\n0.242328 0.066790 0.175538 Ta\n0.066790 0.891252 0.824462 Ta\n0.891252 0.066790 0.824462 Ta\n0.066790 0.242328 0.175538 Ta\n0.881460 0.881460 0.623088 S\n0.258371 0.881460 0.000000 S\n0.258371 0.258371 0.376912 S\n0.711373 0.970809 0.000000 S\n0.167969 0.167969 0.000000 S\n0.711373 0.711373 0.740563 S\n0.970809 0.970809 0.259437 S\n0.881460 0.258371 0.000000 S\n0.970809 0.711373 0.000000 S\n0.159402 0.384857 0.774545 Br\n0.610312 0.384857 0.225455 Br\n0.279154 0.933344 0.345810 Br\n0.384857 0.610312 0.225455 Br\n0.933344 0.587534 0.654190 Br\n0.587534 0.933344 0.654190 Br\n0.384857 0.159402 0.774545 Br\n0.933344 0.279154 0.345810 Br\n",
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{
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"structure_string": "K4 Si8 H4 O20\n1.0\n4.236901 7.395638 0.000000\n-4.236901 7.395638 0.000000\n0.000000 5.381707 8.302794\nK Si H O\n4 8 4 20\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.680163 0.680163 0.980773 K\n0.319837 0.319837 0.019227 K\n0.115896 0.488774 0.676314 Si\n0.488774 0.115896 0.676314 Si\n0.884104 0.511226 0.323686 Si\n0.511226 0.884104 0.323686 Si\n0.782071 0.407562 0.702497 Si\n0.407562 0.782071 0.702497 Si\n0.217929 0.592438 0.297503 Si\n0.592438 0.217929 0.297503 Si\n0.683688 0.147271 0.798840 H\n0.147271 0.683688 0.798840 H\n0.316312 0.852729 0.201160 H\n0.852729 0.316312 0.201160 H\n0.038656 0.638922 0.766576 O\n0.638922 0.038656 0.766576 O\n0.961344 0.361078 0.233424 O\n0.361078 0.961344 0.233424 O\n0.719931 0.226829 0.833176 O\n0.226829 0.719931 0.833176 O\n0.280069 0.773171 0.166824 O\n0.773171 0.280069 0.166824 O\n0.962877 0.386214 0.737207 O\n0.386214 0.962877 0.737207 O\n0.037123 0.613786 0.262793 O\n0.613786 0.037123 0.262793 O\n0.156202 0.595101 0.480004 O\n0.595101 0.156202 0.480004 O\n0.843798 0.404899 0.519996 O\n0.404899 0.843798 0.519996 O\n0.610838 0.610838 0.728773 O\n0.389162 0.389162 0.271227 O\n0.312976 0.312976 0.710942 O\n0.687024 0.687024 0.289058 O\n",
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"formula_full": "K4 Si8 H4 O20",
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"spacegroup": 12
},
{
"id": "mp-1102280",
"created_at": "2022-09-04T14:47:34.284517Z",
"structure_string": "Tl1 S2 O9\n1.0\n-2.537109 -4.394401 0.000000\n2.537109 -4.394401 0.000000\n0.000000 -2.929601 8.643849\nTl S O\n1 2 9\ndirect\n0.500000 0.500000 0.500000 Tl\n0.240444 0.240444 0.278668 S\n0.759556 0.759556 0.721332 S\n0.000000 0.000000 0.000000 O\n0.296729 0.296729 0.109814 O\n0.703271 0.703271 0.890186 O\n0.489632 0.237499 0.338446 O\n0.934423 0.489632 0.338446 O\n0.237499 0.934423 0.338446 O\n0.065577 0.762501 0.661554 O\n0.762501 0.510368 0.661554 O\n0.510368 0.065577 0.661554 O\n",
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},
{
"id": "mp-976955",
"created_at": "2022-09-04T14:47:26.287720Z",
"structure_string": "Li4 Ru2 F12\n1.0\n4.718937 0.000000 0.000000\n0.000000 4.718937 0.000000\n0.000000 0.000000 9.297125\nLi Ru F\n4 2 12\ndirect\n0.500000 0.500000 0.167600 Li\n0.000000 0.000000 0.332400 Li\n0.000000 0.000000 0.667600 Li\n0.500000 0.500000 0.832400 Li\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.288212 0.288212 0.000000 F\n0.711788 0.711788 0.000000 F\n0.805737 0.194263 0.160465 F\n0.194263 0.805737 0.160465 F\n0.305737 0.305737 0.339535 F\n0.694263 0.694263 0.339535 F\n0.788212 0.211788 0.500000 F\n0.211788 0.788212 0.500000 F\n0.305737 0.305737 0.660465 F\n0.694263 0.694263 0.660465 F\n0.805737 0.194263 0.839535 F\n0.194263 0.805737 0.839535 F\n",
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{
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{
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