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{
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"structure_string": "Li2 Cr2 P2 O8 F2\n1.0\n5.133056 -0.015572 -0.003959\n-0.761002 5.239473 0.001751\n-2.262875 -2.437561 6.332492\nLi Cr P O F\n2 2 2 8 2\ndirect\n0.269199 0.618530 0.195925 Li\n0.730801 0.381470 0.804074 Li\n0.000000 0.000000 0.000000 Cr\n-0.000001 -0.000000 0.500000 Cr\n0.320611 0.641605 0.761541 P\n0.679389 0.358395 0.238459 P\n0.312813 0.337440 0.658610 O\n0.687187 0.662559 0.341389 O\n0.370704 0.236501 0.073393 O\n0.748457 0.217506 0.400215 O\n0.629296 0.763498 0.926606 O\n0.251543 0.782493 0.599784 O\n0.111137 0.660397 0.881569 O\n0.888862 0.339603 0.118431 O\n0.132340 0.938006 0.265902 F\n0.867660 0.061993 0.734098 F\n",
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"structure_string": "Rb4 Pd2 N4 Cl4 O8\n1.0\n6.721273 0.000000 -3.444413\n-0.000000 7.641292 0.000000\n0.110478 -0.000000 8.495584\nRb Pd N Cl O\n4 2 4 4 8\ndirect\n0.862912 0.000000 0.725825 Rb\n0.637087 0.500000 0.274175 Rb\n0.362913 0.500000 0.725825 Rb\n0.137087 0.000000 0.274175 Rb\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.133974 0.500000 0.267949 N\n0.366026 0.000000 0.732051 N\n0.633974 0.000000 0.267949 N\n0.866025 0.500000 0.732051 N\n0.218697 0.718869 0.000000 Cl\n0.781302 0.281131 0.000000 Cl\n0.281302 0.218869 0.000000 Cl\n0.718697 0.781131 0.000000 Cl\n0.779635 0.097613 0.351137 O\n0.220365 0.902386 0.648863 O\n0.279635 0.402386 0.351136 O\n0.720365 0.597613 0.648863 O\n0.071502 0.597613 0.351136 O\n0.928498 0.402386 0.648863 O\n0.571501 0.902386 0.351137 O\n0.428498 0.097613 0.648863 O\n",
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"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.663495 -4.613308 -0.000000\n2.663495 4.613308 -0.000000\n-0.000000 0.000000 7.009164\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666666 0.819014 Na\n0.666666 0.333332 0.180986 Na\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333332 0.744202 P\n0.333332 0.666666 0.255798 P\n0.874764 0.231385 0.822295 O\n0.356620 0.125234 0.822295 O\n0.768612 0.643378 0.822295 O\n0.666666 0.333332 0.524884 O\n0.333332 0.666666 0.475116 O\n0.231386 0.356620 0.177704 O\n0.643378 0.874764 0.177704 O\n0.125234 0.768613 0.177704 O\n",
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{
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"updated_at": "2022-09-04T14:37:38.174013Z",
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"structure_string": "Ba2 Al4 Si6 N8 O8\n1.0\n0.000000 0.000000 -5.774231\n0.000000 -6.805300 2.887115\n-9.594648 0.000000 0.000000\nBa Al Si N O\n2 4 6 8 8\ndirect\n0.984244 0.968490 0.501277 Ba\n0.015755 0.031510 0.001277 Ba\n0.473405 0.946813 0.254890 Al\n0.526594 0.053187 0.754891 Al\n0.287350 0.574701 0.038136 Al\n0.712650 0.425299 0.538136 Al\n0.297786 0.595575 0.486648 Si\n0.702213 0.404425 0.986648 Si\n0.918657 0.347878 0.261597 Si\n0.429220 0.347878 0.261597 Si\n0.081342 0.652122 0.761597 Si\n0.570779 0.652122 0.761597 Si\n0.535162 0.577915 0.589222 N\n0.042753 0.577915 0.589222 N\n0.464837 0.422085 0.089222 N\n0.957246 0.422085 0.089222 N\n0.791804 0.583609 0.851125 N\n0.713200 0.426402 0.345355 N\n0.208195 0.416391 0.351125 N\n0.286799 0.573598 0.845356 N\n0.407337 0.814676 0.101393 O\n0.801112 0.100341 0.260116 O\n0.299229 0.100341 0.260116 O\n0.198887 0.899659 0.760117 O\n0.700770 0.899659 0.760117 O\n0.406989 0.813979 0.411603 O\n0.593010 0.186021 0.911603 O\n0.592662 0.185324 0.601393 O\n",
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"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n5.387292 -0.018987 0.008012\n-0.082145 9.072621 -0.002306\n-0.278110 -3.300230 8.538699\nNa Zr P Cl O\n9 1 4 1 16\ndirect\n0.532674 0.640657 0.407207 Na\n0.439636 0.979606 0.374762 Na\n0.462092 0.560831 0.024876 Na\n0.055175 0.834057 0.573738 Na\n0.455981 0.357797 0.594706 Na\n0.933714 0.183483 0.406919 Na\n0.951164 0.560772 0.817931 Na\n0.041135 0.432749 0.147493 Na\n0.529582 0.099934 0.783575 Na\n0.006749 0.000693 0.997411 Zr\n0.040313 0.207023 0.734472 P\n0.476990 0.767923 0.798879 P\n0.528379 0.246097 0.182669 P\n0.972260 0.785496 0.234254 P\n0.012782 0.504579 0.491170 Cl\n0.532104 0.596821 0.774576 O\n0.335992 0.136049 0.057389 O\n0.171302 0.348288 0.863081 O\n0.212285 0.134049 0.594378 O\n0.788674 0.250875 0.680025 O\n0.472863 0.815100 0.654347 O\n0.869146 0.650679 0.088041 O\n0.790815 0.835567 0.369651 O\n0.676722 0.877067 0.918643 O\n0.213361 0.803290 0.874250 O\n0.025889 0.942577 0.196485 O\n0.513443 0.213320 0.334871 O\n0.797543 0.201679 0.117643 O\n0.985953 0.068791 0.799196 O\n0.225226 0.739183 0.286142 O\n0.483036 0.415958 0.196209 O\n",
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"structure_string": "Cr1 H8 C4 S4 N6\n1.0\n3.859152 -0.032766 -0.680969\n-1.828130 7.203188 -0.285855\n0.018655 0.044917 10.173885\nCr H C S N\n1 8 4 4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.352813 0.495798 0.696929 H\n0.647185 0.504202 0.303071 H\n0.411694 0.533050 0.870717 H\n0.324827 0.915446 0.286356 H\n0.481345 0.226563 0.604137 H\n0.518653 0.773437 0.395862 H\n0.675171 0.084554 0.713644 H\n0.588305 0.466951 0.129283 H\n0.959159 0.824128 0.709590 C\n0.040839 0.175872 0.290410 C\n0.440979 0.696694 0.194162 C\n0.559019 0.303307 0.805838 C\n-0.000775 0.281461 0.425379 S\n0.316497 0.753322 0.032632 S\n0.683501 0.246679 0.967367 S\n0.000774 0.718540 0.574621 S\n0.414938 0.798431 0.300620 N\n0.569636 0.546938 0.210581 N\n0.430362 0.453062 0.789418 N\n0.930488 0.902567 0.809580 N\n0.069510 0.097433 0.190420 N\n0.585060 0.201570 0.699380 N\n",
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"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.348116 0.000000 0.000000\n-1.674058 2.899548 -0.000307\n0.000000 -0.003783 35.741665\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666666 0.332459 Te\n0.333190 0.666381 0.226051 Te\n0.333061 0.666122 0.091608 Mo\n0.333480 0.666960 0.473988 Mo\n0.666596 0.333190 0.279282 Mo\n0.666868 0.333736 0.658064 W\n0.333606 0.667212 0.704879 Se\n0.666764 0.333526 0.427341 Se\n0.666868 0.333732 0.520608 Se\n0.333461 0.666923 0.611196 Se\n0.666341 0.332680 0.049187 S\n0.666441 0.332881 0.134086 S\n",
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"elements": [
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"chemical_system": "F-K-O-Sc-Si",
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"density_atomic": 0.0688602429694834,
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"volume_molar": 8.745453835631707,
"formula_full": "K4 Sc2 Si8 O20 F2",
"formula_reduced": "K2ScSi4O10F",
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{
"id": "jvasp-9235",
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"updated_at": "2022-09-04T14:37:57.525885Z",
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],
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"density_atomic": 0.05922733254793336,
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"volume_molar": 10.167840591379345,
"formula_full": "Sr2 Y1 Tl1 Sn2 O7",
"formula_reduced": "Sr2YTlSn2O7",
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]
}