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{
"id": "mp-720469",
"created_at": "2022-09-04T14:45:40.215331Z",
"structure_string": "H24 Os20 Pt8 C68 O68\n1.0\n16.410711 0.000000 0.000000\n0.000000 9.701483 0.000000\n0.000000 0.402680 19.553079\nH Os Pt C O\n24 20 8 68 68\ndirect\n0.595028 0.559000 0.086797 H\n0.904972 0.059000 0.586797 H\n0.404972 0.441000 0.913203 H\n0.095028 0.941000 0.413203 H\n0.452681 0.482789 0.130580 H\n0.047319 0.982789 0.630580 H\n0.547319 0.517211 0.869420 H\n0.952681 0.017211 0.369420 H\n0.562851 0.299364 0.080612 H\n0.937149 0.799364 0.580612 H\n0.437149 0.700636 0.919388 H\n0.062851 0.200636 0.419388 H\n0.631332 0.230836 0.261281 H\n0.868668 0.730836 0.761281 H\n0.368668 0.769164 0.738719 H\n0.131332 0.269164 0.238719 H\n0.654804 0.522318 0.276257 H\n0.845196 0.022318 0.776257 H\n0.345196 0.477682 0.723743 H\n0.154804 0.977682 0.223743 H\n0.714240 0.312951 0.340197 H\n0.785760 0.812951 0.840197 H\n0.285760 0.687049 0.659803 H\n0.214240 0.187049 0.159803 H\n0.647996 0.399587 0.111434 Os\n0.852004 0.899587 0.611434 Os\n0.352004 0.600413 0.888566 Os\n0.147996 0.100413 0.388566 Os\n0.531025 0.599049 0.158998 Os\n0.968975 0.099049 0.658998 Os\n0.468975 0.400951 0.841002 Os\n0.031025 0.900951 0.341002 Os\n0.485505 0.304301 0.147294 Os\n0.014495 0.804301 0.647294 Os\n0.514495 0.695699 0.852706 Os\n0.985505 0.195699 0.352706 Os\n0.631848 0.190504 0.351832 Os\n0.868152 0.690504 0.851832 Os\n0.368152 0.809496 0.648168 Os\n0.131848 0.309496 0.148168 Os\n0.682506 0.483417 0.365944 Os\n0.817494 0.983417 0.865944 Os\n0.317494 0.516583 0.634056 Os\n0.182506 0.016583 0.134056 Os\n0.592275 0.395608 0.244381 Pt\n0.907725 0.895608 0.744381 Pt\n0.407725 0.604392 0.755619 Pt\n0.092275 0.104392 0.255619 Pt\n0.527198 0.394540 0.390374 Pt\n0.972802 0.894540 0.890374 Pt\n0.472802 0.605460 0.609626 Pt\n0.027198 0.105460 0.109626 Pt\n0.436324 0.279242 0.413393 C\n0.063676 0.779242 0.913393 C\n0.563676 0.720758 0.586607 C\n0.936324 0.220758 0.086607 C\n0.487576 0.573465 0.412463 C\n0.012424 0.073465 0.912463 C\n0.512424 0.426535 0.587537 C\n0.987576 0.926535 0.087537 C\n0.683916 0.402196 0.018955 C\n0.816084 0.902196 0.518955 C\n0.316084 0.597804 0.981045 C\n0.183916 0.097804 0.481045 C\n0.698690 0.225370 0.130258 C\n0.801310 0.725370 0.630258 C\n0.301310 0.774630 0.869742 C\n0.198690 0.274630 0.369742 C\n0.741919 0.499565 0.140823 C\n0.758081 0.999565 0.640823 C\n0.258081 0.500435 0.859177 C\n0.241919 0.000435 0.359177 C\n0.483573 0.727012 0.094741 C\n0.016427 0.227012 0.594741 C\n0.516427 0.272988 0.905259 C\n0.983573 0.772988 0.405259 C\n0.456863 0.641891 0.231021 C\n0.043137 0.141891 0.731021 C\n0.543137 0.358109 0.768979 C\n0.956863 0.858109 0.268979 C\n0.611960 0.724535 0.189833 C\n0.888040 0.224535 0.689833 C\n0.388040 0.275465 0.810167 C\n0.111960 0.775465 0.310167 C\n0.517438 0.116756 0.160302 C\n0.982562 0.616756 0.660302 C\n0.482562 0.883244 0.839698 C\n0.017438 0.383244 0.339698 C\n0.408860 0.289719 0.220424 C\n0.091140 0.789719 0.720424 C\n0.591140 0.710281 0.779576 C\n0.908860 0.210281 0.279576 C\n0.408689 0.271059 0.075743 C\n0.091311 0.771059 0.575743 C\n0.591311 0.728941 0.924257 C\n0.908689 0.228941 0.424257 C\n0.641785 0.139085 0.446812 C\n0.858215 0.639085 0.946812 C\n0.358215 0.860915 0.553188 C\n0.141785 0.360915 0.053188 C\n0.714027 0.063161 0.322887 C\n0.785973 0.563161 0.822887 C\n0.285973 0.936839 0.677113 C\n0.214027 0.436839 0.177113 C\n0.544089 0.065658 0.338409 C\n0.955911 0.565658 0.838409 C\n0.455911 0.934342 0.661591 C\n0.044089 0.434342 0.161591 C\n0.651602 0.671265 0.372635 C\n0.848398 0.171265 0.872635 C\n0.348398 0.328735 0.627365 C\n0.151602 0.828735 0.127365 C\n0.702114 0.463961 0.462442 C\n0.797886 0.963961 0.962442 C\n0.297886 0.536039 0.537558 C\n0.202114 0.036039 0.037558 C\n0.792265 0.525784 0.339294 C\n0.707735 0.025784 0.839294 C\n0.207735 0.474216 0.660706 C\n0.292265 0.974216 0.160706 C\n0.382275 0.216189 0.435750 O\n0.117725 0.716189 0.935750 O\n0.617725 0.783811 0.564250 O\n0.882275 0.283811 0.064250 O\n0.463373 0.681197 0.426642 O\n0.036627 0.181197 0.926642 O\n0.536627 0.318803 0.573358 O\n0.963373 0.818803 0.073358 O\n0.706749 0.402234 0.962593 O\n0.793251 0.902234 0.462593 O\n0.293251 0.597766 0.037407 O\n0.206749 0.097766 0.537407 O\n0.725802 0.118178 0.143650 O\n0.774198 0.618178 0.643650 O\n0.274198 0.881822 0.856350 O\n0.225802 0.381822 0.356350 O\n0.798288 0.556980 0.161422 O\n0.701712 0.056980 0.661422 O\n0.201712 0.443020 0.838578 O\n0.298288 0.943020 0.338578 O\n0.456577 0.806834 0.055689 O\n0.043423 0.306834 0.555689 O\n0.543423 0.193166 0.944311 O\n0.956577 0.693166 0.444311 O\n0.410254 0.663898 0.273844 O\n0.089746 0.163898 0.773844 O\n0.589746 0.336102 0.726156 O\n0.910254 0.836102 0.226156 O\n0.662498 0.797871 0.208669 O\n0.837502 0.297871 0.708669 O\n0.337502 0.202129 0.791331 O\n0.162498 0.702129 0.291331 O\n0.541081 0.004748 0.166538 O\n0.958919 0.504748 0.666538 O\n0.458919 0.995252 0.833462 O\n0.041081 0.495252 0.333462 O\n0.364417 0.273723 0.266023 O\n0.135583 0.773723 0.766023 O\n0.635583 0.726277 0.733977 O\n0.864417 0.226277 0.233977 O\n0.361774 0.250113 0.032585 O\n0.138226 0.750113 0.532585 O\n0.638226 0.749887 0.967415 O\n0.861774 0.249887 0.467415 O\n0.648579 0.101205 0.503350 O\n0.851421 0.601205 0.003350 O\n0.351421 0.898795 0.496650 O\n0.148579 0.398795 0.996650 O\n0.764492 0.987440 0.305757 O\n0.735508 0.487440 0.805757 O\n0.235508 0.012560 0.694243 O\n0.264492 0.512560 0.194243 O\n0.489791 0.992245 0.328025 O\n0.010209 0.492245 0.828025 O\n0.510209 0.007755 0.671975 O\n0.989791 0.507755 0.171975 O\n0.630964 0.785874 0.374153 O\n0.869036 0.285874 0.874153 O\n0.369036 0.214126 0.625847 O\n0.130964 0.714126 0.125847 O\n0.712253 0.460220 0.521268 O\n0.787747 0.960220 0.021268 O\n0.287747 0.539780 0.478732 O\n0.212253 0.039780 0.978732 O\n0.858182 0.554497 0.322390 O\n0.641818 0.054497 0.822390 O\n0.141818 0.445503 0.677610 O\n0.358182 0.945503 0.177610 O\n",
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"formula_full": "H24 Os20 Pt8 C68 O68",
"formula_reduced": "H6Os5Pt2(CO)17",
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"updated_at": "2021-11-28T01:37:16.440000Z",
"spacegroup": 14
},
{
"id": "mp-1046109",
"created_at": "2022-09-04T14:45:40.244655Z",
"structure_string": "Ba2 Ca2 Ti3 Tl2 O10\n1.0\n3.928362 0.000000 0.000000\n-0.002026 3.931337 0.000000\n-1.829573 -1.604335 19.711515\nBa Ca Ti Tl O\n2 2 3 2 10\ndirect\n0.222230 0.128088 0.318770 Ba\n0.923349 0.863788 0.679839 Ba\n0.027002 0.963410 0.907449 Ca\n0.111180 0.030253 0.091637 Ca\n0.487603 0.427411 0.815951 Ti\n0.656331 0.566535 0.183144 Ti\n0.568372 0.496318 0.999512 Ti\n0.740256 0.721929 0.442074 Tl\n0.297304 0.283297 0.556998 Tl\n0.494869 0.936603 0.837843 O\n0.450311 0.392324 0.725341 O\n0.995036 0.436529 0.837681 O\n0.716495 0.760989 0.559793 O\n0.068128 0.496188 0.999410 O\n0.143448 0.557466 0.160827 O\n0.701899 0.600653 0.273555 O\n0.643504 0.057821 0.161604 O\n0.174514 0.257009 0.439725 O\n0.568042 0.996389 0.999810 O\n",
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"formula_full": "Ba2 Ca2 Ti3 Tl2 O10",
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{
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"structure_string": "Sm2 Co16 Ag1\n1.0\n-4.237448 2.446492 4.062197\n0.000000 -4.892983 4.062197\n4.237448 2.446492 4.062197\nSm Co Ag\n2 16 1\ndirect\n0.652282 0.652282 0.652282 Sm\n0.343900 0.343900 0.343900 Sm\n0.711248 0.000982 0.289838 Co\n0.000982 0.289838 0.711248 Co\n0.289838 0.711248 0.000982 Co\n0.000982 0.711248 0.289838 Co\n0.711248 0.289838 0.000982 Co\n0.289838 0.000982 0.711248 Co\n0.344250 0.847955 0.344250 Co\n0.847955 0.344250 0.344250 Co\n0.344250 0.344250 0.847955 Co\n0.649468 0.158318 0.649468 Co\n0.158318 0.649468 0.649468 Co\n0.649468 0.649468 0.158318 Co\n0.006156 0.487782 0.006156 Co\n0.487782 0.006156 0.006156 Co\n0.006156 0.006156 0.487782 Co\n0.108054 0.108054 0.108054 Co\n0.897826 0.897826 0.897826 Ag\n",
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{
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"structure_string": "Ba2 Fe8 O14\n1.0\n2.558465 -4.431392 0.000000\n2.558465 4.431392 0.000000\n0.000000 0.000000 13.936616\nBa Fe O\n2 8 14\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.112616 Fe\n0.000000 0.000000 0.612616 Fe\n0.000000 0.000000 0.887384 Fe\n0.000000 0.000000 0.387384 Fe\n0.333333 0.666667 0.003247 Fe\n0.666667 0.333333 0.503247 Fe\n0.666667 0.333333 0.996753 Fe\n0.333333 0.666667 0.496753 Fe\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.362438 0.007271 0.078658 O\n0.355168 0.362438 0.578658 O\n0.007271 0.644832 0.578658 O\n0.992729 0.355168 0.078658 O\n0.644832 0.637562 0.078658 O\n0.637562 0.992729 0.578658 O\n0.637562 0.992729 0.921342 O\n0.644832 0.637562 0.421342 O\n0.992729 0.355168 0.421342 O\n0.007271 0.644832 0.921342 O\n0.355168 0.362438 0.921342 O\n0.362438 0.007271 0.421342 O\n",
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{
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"structure_string": "Rb2 In1 Au1 F6\n1.0\n0.000000 4.587937 4.587937\n4.587937 0.000000 4.587937\n4.587937 4.587937 0.000000\nRb In Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.770091 0.229909 0.229909 F\n0.229909 0.229909 0.770091 F\n0.229909 0.770091 0.770091 F\n0.229909 0.770091 0.229909 F\n0.770091 0.229909 0.770091 F\n0.770091 0.770091 0.229909 F\n",
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"formula_full": "Rb2 In1 Au1 F6",
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{
"id": "mp-1303800",
"created_at": "2022-09-04T14:45:40.462003Z",
"structure_string": "Li4 V6 Sn2 O16\n1.0\n-3.019495 5.230935 0.000309\n-3.121083 -1.801669 9.932336\n3.030602 5.237364 -0.056725\nLi V Sn O\n4 6 2 16\ndirect\n0.321105 0.568773 0.365759 Li\n0.812608 0.068776 0.366120 Li\n0.748528 0.745263 0.497658 Li\n0.254269 0.245323 0.497727 Li\n0.219280 0.748268 0.016829 V\n0.755562 0.744629 0.004072 V\n0.495948 0.007873 0.007642 V\n0.740272 0.244781 0.004355 V\n0.264183 0.248138 0.016351 V\n0.996253 0.507861 0.007793 V\n0.178220 0.938952 0.646212 Sn\n0.675690 0.438727 0.645863 Sn\n0.123858 0.630205 0.773996 O\n0.602317 0.130119 0.773826 O\n0.377917 0.870727 0.233471 O\n0.888676 0.370633 0.233232 O\n0.908150 0.860259 0.214491 O\n0.377467 0.360271 0.214189 O\n0.136399 0.628596 0.209744 O\n0.624414 0.127608 0.216097 O\n0.659450 0.627530 0.215861 O\n0.153833 0.128654 0.209440 O\n0.844885 0.869895 0.773714 O\n0.344328 0.368020 0.771956 O\n0.384139 0.868128 0.771428 O\n0.881881 0.369933 0.773226 O\n0.610030 0.640926 0.769307 O\n0.120344 0.141128 0.769641 O\n",
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"formula_full": "Li4 V6 Sn2 O16",
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{
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