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{
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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.776313 0.000000 0.000000\n-4.884985 8.476770 0.000000\n-0.019787 -0.036504 13.930463\nLi V P O\n8 6 16 58\ndirect\n0.910494 0.229368 0.559375 Li\n0.770154 0.093066 0.060645 Li\n0.322870 0.225469 0.059054 Li\n0.677621 0.904145 0.440802 Li\n0.322421 0.095208 0.558442 Li\n0.680634 0.768990 0.939839 Li\n0.090685 0.771777 0.440740 Li\n0.095535 0.324093 0.939472 Li\n0.566070 0.998922 0.248479 V\n0.426886 0.995063 0.754947 V\n0.571500 0.565546 0.744352 V\n0.432119 0.436639 0.256829 V\n0.995175 0.566093 0.244328 V\n0.000259 0.436750 0.751661 V\n0.916283 0.687665 0.844058 P\n0.772339 0.686896 0.341375 P\n0.912407 0.231154 0.343508 P\n0.662796 0.331249 0.126909 P\n0.663657 0.326689 0.626831 P\n0.769810 0.088158 0.842173 P\n0.680316 0.912364 0.658884 P\n0.318661 0.232700 0.841834 P\n0.681844 0.767533 0.155049 P\n0.319397 0.087450 0.342030 P\n0.229565 0.914022 0.157369 P\n0.331718 0.669204 0.373274 P\n0.337655 0.665238 0.873071 P\n0.086233 0.768830 0.656664 P\n0.228773 0.315138 0.657073 P\n0.088200 0.316873 0.159439 P\n0.010977 0.767586 0.564472 O\n0.917030 0.661449 0.339616 O\n0.751040 0.756416 0.063468 O\n0.743422 0.660941 0.835970 O\n0.904846 0.523750 0.823653 O\n0.814115 0.482357 0.173488 O\n0.905597 0.383160 0.320535 O\n0.000044 0.241756 0.068251 O\n0.917543 0.253364 0.842151 O\n0.664746 0.478371 0.673661 O\n0.618730 0.523213 0.324382 O\n0.812018 0.325743 0.666903 O\n0.667781 0.335362 0.020378 O\n0.657681 0.329080 0.520458 O\n0.673727 0.186383 0.166497 O\n0.478036 0.384627 0.823513 O\n0.513899 0.331177 0.169044 O\n0.744516 0.083597 0.338537 O\n0.793102 0.001034 0.750056 O\n0.756984 0.999246 0.568436 O\n0.755691 0.998449 0.932255 O\n0.618392 0.097294 0.822966 O\n0.510734 0.181139 0.669925 O\n0.662864 0.915830 0.160147 O\n0.479203 0.098961 0.324602 O\n0.340366 0.255851 0.334002 O\n0.794689 0.788744 0.245590 O\n0.761797 0.768378 0.428009 O\n0.241389 0.232917 0.571814 O\n0.657280 0.744347 0.663368 O\n0.521794 0.906224 0.677260 O\n0.342513 0.088022 0.836483 O\n0.485529 0.813003 0.332789 O\n0.381485 0.904310 0.174799 O\n0.235371 0.005237 0.071933 O\n0.241652 0.003206 0.432633 O\n0.205197 0.994724 0.253194 O\n0.256804 0.919094 0.664291 O\n0.490049 0.671546 0.830313 O\n0.521972 0.616493 0.179444 O\n0.335452 0.814738 0.826452 O\n0.342026 0.671735 0.979506 O\n0.331067 0.664616 0.479716 O\n0.182108 0.669015 0.330770 O\n0.381849 0.476788 0.677225 O\n0.331446 0.517712 0.326872 O\n0.085459 0.743323 0.165066 O\n0.995631 0.789286 0.746849 O\n0.999845 0.768417 0.931802 O\n0.100248 0.621868 0.676275 O\n0.187897 0.514061 0.833737 O\n0.096801 0.478377 0.176314 O\n0.255684 0.338324 0.159940 O\n0.243694 0.242846 0.933343 O\n0.204417 0.210603 0.753512 O\n0.083125 0.337946 0.659498 O\n0.994063 0.240277 0.434638 O\n0.000758 0.208129 0.250695 O\n",
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{
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{
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{
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{
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"structure_string": "K4 Mg8 Al4 Fe4 Si12 H8 O48\n1.0\n5.292368 0.002345 -0.962987\n0.005840 -18.629082 0.074575\n-0.064172 0.042674 -10.694791\nK Mg Al Fe Si H O\n4 8 4 4 12 8 48\ndirect\n0.994240 0.248771 0.024075 K\n0.494426 0.498717 0.024215 K\n0.994339 0.749266 0.024148 K\n0.494273 0.999249 0.024027 K\n0.504152 0.084419 0.494840 Mg\n0.004208 0.334232 0.494863 Mg\n0.504010 0.584318 0.494760 Mg\n0.004137 0.834496 0.494776 Mg\n0.003509 0.166235 0.495111 Mg\n0.503612 0.416235 0.495024 Mg\n0.003412 0.666365 0.495099 Mg\n0.503465 0.916386 0.495121 Mg\n0.424689 0.166337 0.233346 Al\n0.924891 0.416253 0.233347 Al\n0.424769 0.666394 0.233378 Al\n0.924722 0.916460 0.233301 Al\n0.995432 0.499113 0.493626 Fe\n0.495441 0.749286 0.493714 Fe\n0.495730 0.249154 0.493721 Fe\n0.995560 0.999262 0.493668 Fe\n0.925872 0.083912 0.229189 Si\n0.426042 0.333787 0.229186 Si\n0.925962 0.583853 0.229279 Si\n0.425909 0.833964 0.229235 Si\n0.076939 0.083212 0.762981 Si\n0.576860 0.333168 0.762923 Si\n0.076807 0.583190 0.762892 Si\n0.577004 0.833253 0.762934 Si\n0.579270 0.165724 0.763012 Si\n0.079207 0.415690 0.762903 Si\n0.579182 0.665751 0.762934 Si\n0.079321 0.915789 0.763014 Si\n0.391880 0.001257 0.310939 H\n0.891854 0.251046 0.310914 H\n0.392240 0.500972 0.310789 H\n0.891908 0.751205 0.310989 H\n0.605579 0.001695 0.692858 H\n0.105579 0.251536 0.692872 H\n0.605462 0.501664 0.692696 H\n0.105867 0.751791 0.692735 H\n0.874527 0.250062 0.402464 O\n0.374624 0.500044 0.402339 O\n0.874406 0.750255 0.402529 O\n0.374416 0.000244 0.402489 O\n0.617279 0.001487 0.601656 O\n0.117309 0.251319 0.601666 O\n0.617174 0.501376 0.601512 O\n0.117242 0.751522 0.601564 O\n0.365084 0.164649 0.400306 O\n0.865408 0.414531 0.400336 O\n0.365114 0.664685 0.400380 O\n0.865001 0.914751 0.400284 O\n0.868270 0.086435 0.386988 O\n0.368387 0.336292 0.386991 O\n0.868416 0.586405 0.387140 O\n0.368370 0.836550 0.387064 O\n0.126927 0.084545 0.609920 O\n0.626926 0.334459 0.609873 O\n0.126752 0.584519 0.609826 O\n0.626970 0.834656 0.609873 O\n0.637136 0.163154 0.610313 O\n0.137076 0.413082 0.610213 O\n0.637038 0.663196 0.610230 O\n0.137145 0.913275 0.610310 O\n0.019207 0.003296 0.177426 O\n0.519302 0.253139 0.177425 O\n0.018904 0.503164 0.177648 O\n0.518843 0.753301 0.177617 O\n0.553288 0.249682 0.819238 O\n0.053282 0.499679 0.819106 O\n0.553326 0.749741 0.819159 O\n0.053320 0.999739 0.819320 O\n0.149023 0.141545 0.173664 O\n0.649273 0.391380 0.173703 O\n0.149166 0.641455 0.173745 O\n0.649107 0.891581 0.173626 O\n0.668725 0.104781 0.173530 O\n0.168999 0.354713 0.173494 O\n0.668841 0.604796 0.173692 O\n0.168806 0.854893 0.173600 O\n0.309598 0.123899 0.821018 O\n0.809469 0.373896 0.820927 O\n0.309433 0.623931 0.820904 O\n0.809682 0.873927 0.821014 O\n0.808962 0.125644 0.823648 O\n0.308846 0.375593 0.823561 O\n0.808818 0.625629 0.823588 O\n0.309020 0.875692 0.823644 O\n",
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"elements": [
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],
"chemical_system": "Al-Fe-H-K-Mg-O-Si",
"density": 2.8241075505026427,
"density_atomic": 0.08336849260558984,
"volume": 1055.554649600317,
"volume_molar": 7.223521227006348,
"formula_full": "K4 Mg8 Al4 Fe4 Si12 H8 O48",
"formula_reduced": "KMg2AlFeSi3(HO6)2",
"formula_anonymous": "ABCD2E2F3G12",
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"updated_at": "2021-11-28T01:35:11.579000Z",
"spacegroup": 1
},
{
"id": "mp-999124",
"created_at": "2022-09-04T14:41:28.036314Z",
"structure_string": "Tb2 Pd2\n1.0\n1.861000 -5.296447 0.000000\n1.861000 5.296447 0.000000\n0.000000 0.000000 4.630288\nTb Pd\n2 2\ndirect\n0.862978 0.137022 0.750000 Tb\n0.137022 0.862978 0.250000 Tb\n0.585572 0.414428 0.750000 Pd\n0.414428 0.585572 0.250000 Pd\n",
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],
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"spacegroup": 63
},
{
"id": "mp-771566",
"created_at": "2022-09-04T14:41:07.132914Z",
"structure_string": "Lu8 Te4 O24\n1.0\n5.477635 8.019884 0.000000\n-5.477635 8.019884 0.000000\n0.000000 1.539156 5.079026\nLu Te O\n8 4 24\ndirect\n0.939058 0.717168 0.385337 Lu\n0.717168 0.939058 0.885337 Lu\n0.375424 0.624576 0.250000 Lu\n0.897463 0.102537 0.250000 Lu\n0.102537 0.897463 0.750000 Lu\n0.624576 0.375424 0.750000 Lu\n0.282832 0.060942 0.114663 Lu\n0.060942 0.282832 0.614663 Lu\n0.804980 0.501683 0.066899 Te\n0.501683 0.804980 0.566899 Te\n0.498317 0.195020 0.433101 Te\n0.195020 0.498317 0.933101 Te\n0.893876 0.924846 0.077329 O\n0.924846 0.893876 0.577329 O\n0.529478 0.944926 0.255248 O\n0.785179 0.688459 0.150168 O\n0.944926 0.529478 0.755248 O\n0.688459 0.785179 0.650168 O\n0.820768 0.376783 0.400555 O\n0.376783 0.820768 0.900555 O\n0.609607 0.541635 0.010602 O\n0.312242 0.844938 0.426512 O\n0.541635 0.609607 0.510602 O\n0.844938 0.312242 0.926512 O\n0.155062 0.687758 0.073488 O\n0.458365 0.390393 0.489398 O\n0.687758 0.155062 0.573488 O\n0.390393 0.458365 0.989398 O\n0.623217 0.179232 0.099445 O\n0.179232 0.623217 0.599445 O\n0.311541 0.214821 0.349832 O\n0.055074 0.470522 0.244752 O\n0.214821 0.311541 0.849832 O\n0.470522 0.055074 0.744752 O\n0.075154 0.106124 0.422671 O\n0.106124 0.075154 0.922671 O\n",
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"formula_full": "Lu8 Te4 O24",
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{
"id": "mp-1978995",
"created_at": "2022-09-04T14:41:07.136426Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n-0.008096 0.060849 4.861631\n6.124608 -0.022079 0.019450\n-0.036471 10.227890 0.126132\nLi Mn P O\n2 4 4 16\ndirect\n0.754198 0.254683 0.798043 Li\n0.250593 0.748067 0.296392 Li\n0.801156 0.493045 0.085701 Mn\n0.214640 0.505879 0.577938 Mn\n0.698339 0.006142 0.508602 Mn\n0.286047 0.996466 0.016240 Mn\n0.149956 0.007621 0.689369 P\n0.817043 0.995230 0.206675 P\n0.682789 0.502539 0.387642 P\n0.349381 0.494243 0.904910 P\n0.922714 0.000848 0.350454 O\n0.080713 0.002472 0.835760 O\n0.469807 0.016685 0.667049 O\n0.505773 0.981579 0.202044 O\n0.946192 0.190805 0.129279 O\n0.019599 0.816940 0.610974 O\n0.001647 0.213196 0.631824 O\n0.969921 0.791759 0.141101 O\n0.499085 0.289669 0.963281 O\n0.529362 0.705389 0.453374 O\n0.553490 0.306602 0.464691 O\n0.477736 0.685417 0.983087 O\n0.576999 0.497128 0.243781 O\n0.419632 0.498533 0.758612 O\n0.993921 0.516613 0.392281 O\n0.029263 0.482450 0.926746 O\n",
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],
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"formula_full": "Li2 Mn4 P4 O16",
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},
{
"id": "mp-1026636",
"created_at": "2022-09-04T14:41:07.140883Z",
"structure_string": "Na1 Hf1 Mg14\n1.0\n6.470015 0.000000 -0.000000\n-3.235008 5.603197 -0.000000\n0.000000 0.000000 10.214987\nNa Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Hf\n0.169705 0.834852 0.125000 Mg\n0.172185 0.836092 0.625000 Mg\n0.665148 0.330295 0.125000 Mg\n0.663908 0.327815 0.625000 Mg\n0.665148 0.834852 0.125000 Mg\n0.663908 0.836092 0.625000 Mg\n0.332255 0.167745 0.378987 Mg\n0.332255 0.167745 0.871013 Mg\n0.332255 0.664511 0.378987 Mg\n0.332255 0.664511 0.871013 Mg\n0.835489 0.167745 0.378987 Mg\n0.835489 0.167745 0.871013 Mg\n0.833333 0.666667 0.375735 Mg\n0.833333 0.666667 0.874265 Mg\n",
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],
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"density": 2.429231112979221,
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"volume": 370.3215603507181,
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"formula_full": "Na1 Hf1 Mg14",
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}
]
}