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{
"id": "mp-27457",
"created_at": "2022-09-04T14:47:59.230215Z",
"structure_string": "Ba4 P8 O24\n1.0\n4.563397 0.000000 0.000000\n0.000000 8.523427 0.000000\n0.000000 0.000000 13.673185\nBa P O\n4 8 24\ndirect\n0.008310 0.448835 0.126622 Ba\n0.508310 0.051165 0.873378 Ba\n0.991690 0.948835 0.373378 Ba\n0.491690 0.551165 0.626622 Ba\n0.966832 0.672509 0.846639 P\n0.466832 0.827491 0.153361 P\n0.033168 0.172509 0.653361 P\n0.533168 0.327491 0.346639 P\n0.462442 0.469970 0.897032 P\n0.962442 0.030030 0.102968 P\n0.537558 0.969970 0.602968 P\n0.037558 0.530030 0.397032 P\n0.532422 0.664917 0.118951 O\n0.032422 0.835083 0.881049 O\n0.467578 0.164917 0.381049 O\n0.967578 0.335083 0.618951 O\n0.498549 0.373254 0.241497 O\n0.998549 0.126746 0.758503 O\n0.501451 0.873254 0.258503 O\n0.001451 0.626746 0.741497 O\n0.540312 0.384990 0.989712 O\n0.040312 0.115010 0.010288 O\n0.459688 0.884990 0.510288 O\n0.959688 0.615010 0.489712 O\n0.360884 0.455908 0.416284 O\n0.860884 0.044092 0.583716 O\n0.639116 0.955908 0.083716 O\n0.139116 0.544092 0.916284 O\n0.863228 0.364363 0.384833 O\n0.363228 0.135637 0.615167 O\n0.136772 0.864363 0.115167 O\n0.636772 0.635637 0.884833 O\n0.022792 0.620549 0.303050 O\n0.522792 0.879451 0.696950 O\n0.977208 0.120549 0.196950 O\n0.477208 0.379451 0.803050 O\n",
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{
"id": "mp-3081",
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"structure_string": "Be4 Al8 O16\n1.0\n4.461474 0.000000 0.000000\n0.000000 5.527899 0.000000\n0.000000 0.000000 9.499865\nBe Al O\n4 8 16\ndirect\n0.066968 0.250000 0.407549 Be\n0.933032 0.750000 0.592451 Be\n0.433032 0.250000 0.907549 Be\n0.566968 0.750000 0.092451 Be\n0.494744 0.750000 0.772845 Al\n0.994744 0.250000 0.727155 Al\n0.505256 0.250000 0.227155 Al\n0.005256 0.750000 0.272845 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.757485 0.516115 0.663082 O\n0.257485 0.483885 0.836918 O\n0.242515 0.016115 0.336918 O\n0.742515 0.983885 0.163082 O\n0.257485 0.016115 0.836918 O\n0.242515 0.483885 0.336918 O\n0.757485 0.983885 0.663082 O\n0.742515 0.516115 0.163082 O\n0.213449 0.750000 0.090437 O\n0.713449 0.250000 0.409563 O\n0.786551 0.250000 0.909563 O\n0.286551 0.750000 0.590437 O\n0.759346 0.750000 0.433547 O\n0.259346 0.250000 0.066453 O\n0.240654 0.250000 0.566453 O\n0.740654 0.750000 0.933547 O\n",
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},
{
"id": "mp-1042006",
"created_at": "2022-09-04T14:48:03.217517Z",
"structure_string": "Ca4 Mn4 P8 O28\n1.0\n-0.005692 0.000514 7.288973\n8.694615 6.224432 1.000937\n-3.811346 6.183301 0.636090\nCa Mn P O\n4 4 8 28\ndirect\n0.641572 0.506217 0.197598 Ca\n0.641569 0.006223 0.697640 Ca\n0.358429 0.493787 0.802402 Ca\n0.358424 0.993772 0.302358 Ca\n0.193125 0.692701 0.438545 Mn\n0.806901 0.307294 0.561466 Mn\n0.193052 0.192604 0.938435 Mn\n0.806958 0.807400 0.061562 Mn\n0.120400 0.414997 0.242477 P\n0.120423 0.915003 0.742459 P\n0.879597 0.585008 0.757521 P\n0.879576 0.084995 0.257542 P\n0.620519 0.226154 0.994075 P\n0.620560 0.726167 0.494056 P\n0.379482 0.773845 0.005929 P\n0.379441 0.273836 0.505939 P\n0.917880 0.408934 0.320869 O\n0.917900 0.908943 0.820837 O\n0.082119 0.591066 0.679130 O\n0.082100 0.091050 0.179164 O\n0.204504 0.533374 0.281030 O\n0.204481 0.033391 0.781047 O\n0.795492 0.466630 0.718969 O\n0.795513 0.966607 0.218957 O\n0.148131 0.382231 0.039776 O\n0.148172 0.882227 0.539769 O\n0.851863 0.617772 0.960222 O\n0.851824 0.117775 0.460231 O\n0.448857 0.636116 0.995825 O\n0.448867 0.136103 0.495829 O\n0.551140 0.363883 0.004176 O\n0.551119 0.863897 0.504158 O\n0.465976 0.136699 0.038523 O\n0.466061 0.636689 0.538509 O\n0.534030 0.863297 0.961481 O\n0.533944 0.363312 0.461491 O\n0.767671 0.203350 0.147112 O\n0.767647 0.703376 0.647094 O\n0.232340 0.796650 0.852883 O\n0.232350 0.296632 0.352904 O\n0.275543 0.804282 0.192934 O\n0.275534 0.304288 0.692952 O\n0.724452 0.195712 0.807069 O\n0.724466 0.695708 0.307047 O\n",
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"density_atomic": 0.07790463063934554,
"volume": 564.7931276857619,
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"formula_full": "Ca4 Mn4 P8 O28",
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"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:38:27.947000Z",
"spacegroup": 2
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{
"id": "mp-368",
"created_at": "2022-09-04T14:48:08.098369Z",
"structure_string": "P8 O12\n1.0\n8.487091 0.000000 0.000000\n0.000000 6.661166 0.000000\n0.000000 2.262076 6.818973\nP O\n8 12\ndirect\n0.924862 0.748526 0.134685 P\n0.424862 0.251474 0.865315 P\n0.075138 0.251474 0.865315 P\n0.575138 0.748526 0.134685 P\n0.250000 0.638519 0.640757 P\n0.750000 0.361481 0.359243 P\n0.250000 0.260357 0.504302 P\n0.750000 0.739643 0.495698 P\n0.250000 0.181233 0.970161 O\n0.750000 0.818767 0.029839 O\n0.900763 0.811256 0.339761 O\n0.400763 0.188744 0.660239 O\n0.099237 0.188744 0.660239 O\n0.599237 0.811256 0.339761 O\n0.900702 0.486537 0.222373 O\n0.400702 0.513463 0.777627 O\n0.750000 0.478796 0.532600 O\n0.250000 0.521204 0.467400 O\n0.599298 0.486537 0.222373 O\n0.099298 0.513463 0.777627 O\n",
"nsites": 20,
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"elements": [
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"chemical_system": "O-P",
"density": 1.8943461776390607,
"density_atomic": 0.0518802319854329,
"volume": 385.5032877573806,
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"formula_full": "P8 O12",
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{
"id": "mp-1080639",
"created_at": "2022-09-04T14:48:09.437747Z",
"structure_string": "Ce16 Se32\n1.0\n8.658823 -10.575628 0.000000\n8.658823 10.575628 0.000000\n0.000000 0.000000 23.503536\nCe Se\n16 32\ndirect\n0.187951 0.587052 0.319120 Ce\n0.587052 0.187951 0.680880 Ce\n0.812049 0.412948 0.319120 Ce\n0.412948 0.812049 0.680880 Ce\n0.312028 0.909610 0.183809 Ce\n0.909610 0.312028 0.816191 Ce\n0.687972 0.090390 0.183809 Ce\n0.090390 0.687972 0.816191 Ce\n0.338439 0.661561 0.500000 Ce\n0.661561 0.338439 0.500000 Ce\n0.500000 0.500000 0.365708 Ce\n0.500000 0.500000 0.634292 Ce\n0.000000 0.000000 0.139716 Ce\n0.000000 0.000000 0.860284 Ce\n0.160281 0.839719 0.000000 Ce\n0.839719 0.160281 0.000000 Ce\n0.000000 0.500000 0.285201 Se\n0.500000 0.000000 0.714799 Se\n0.253203 0.747582 0.251337 Se\n0.747582 0.253203 0.748663 Se\n0.746797 0.252418 0.251337 Se\n0.252418 0.746797 0.748663 Se\n0.177420 0.641413 0.429662 Se\n0.641413 0.177420 0.570338 Se\n0.822580 0.358587 0.429662 Se\n0.358587 0.822580 0.570338 Se\n0.323874 0.467917 0.307529 Se\n0.467917 0.323874 0.692471 Se\n0.676126 0.532083 0.307529 Se\n0.532083 0.676126 0.692471 Se\n0.318858 0.858563 0.071992 Se\n0.858563 0.318858 0.928008 Se\n0.681142 0.141437 0.071992 Se\n0.141437 0.681142 0.928008 Se\n0.174513 0.026060 0.199195 Se\n0.026060 0.174513 0.800805 Se\n0.825487 0.973940 0.199195 Se\n0.973940 0.825487 0.800805 Se\n0.497152 0.663529 0.430328 Se\n0.663529 0.497152 0.569672 Se\n0.502848 0.336471 0.430328 Se\n0.336471 0.502848 0.569672 Se\n0.500000 0.000000 0.216946 Se\n0.000000 0.500000 0.783054 Se\n0.993226 0.161929 0.073801 Se\n0.161929 0.993226 0.926199 Se\n0.006774 0.838071 0.073801 Se\n0.838071 0.006774 0.926199 Se\n",
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{
"id": "mp-780246",
"created_at": "2022-09-04T14:48:08.766554Z",
"structure_string": "Na4 Bi8 O14\n1.0\n8.865608 5.665967 0.000000\n-8.865608 5.665967 0.000000\n0.000000 2.883740 5.233000\nNa Bi O\n4 8 14\ndirect\n0.492187 0.666364 0.422771 Na\n0.333636 0.507813 0.077229 Na\n0.666364 0.492187 0.922771 Na\n0.507813 0.333636 0.577229 Na\n0.606049 0.120508 0.174446 Bi\n0.268230 0.128019 0.247137 Bi\n0.120508 0.606049 0.674446 Bi\n0.128019 0.268230 0.747137 Bi\n0.871981 0.731770 0.252863 Bi\n0.879492 0.393951 0.325554 Bi\n0.731770 0.871981 0.752863 Bi\n0.393951 0.879492 0.825554 Bi\n0.492435 0.220012 0.977409 O\n0.373075 0.995790 0.460313 O\n0.719371 0.686816 0.077309 O\n0.679540 0.320460 0.250000 O\n0.220012 0.492435 0.477409 O\n0.995790 0.373075 0.960312 O\n0.313184 0.280629 0.422691 O\n0.686816 0.719371 0.577309 O\n0.004210 0.626925 0.039688 O\n0.779988 0.507565 0.522591 O\n0.320460 0.679540 0.750000 O\n0.280629 0.313184 0.922691 O\n0.626925 0.004210 0.539688 O\n0.507565 0.779988 0.022591 O\n",
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{
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"structure_string": "Li2 Co8 O16\n1.0\n-2.819132 -4.898323 -0.001203\n5.709240 -3.305388 5.009204\n-2.842709 1.647503 4.991630\nLi Co O\n2 8 16\ndirect\n0.499998 0.999999 0.000001 Li\n0.999999 0.500001 0.499999 Li\n0.750613 0.247094 0.251761 Co\n0.249387 0.752906 0.748239 Co\n0.248511 0.247078 0.252048 Co\n0.751489 0.752922 0.747953 Co\n0.000000 0.500001 0.000000 Co\n0.500001 0.999998 0.499999 Co\n0.000001 0.999999 0.500000 Co\n0.499999 0.500002 0.000003 Co\n0.999558 0.268430 0.041016 O\n0.500023 0.771726 0.537686 O\n0.000442 0.731570 0.958989 O\n0.499978 0.228273 0.462309 O\n0.236337 0.476374 0.222655 O\n0.745822 0.980875 0.713538 O\n0.499315 0.255454 0.044384 O\n0.000339 0.767482 0.538692 O\n0.761885 0.477052 0.221364 O\n0.254383 0.980699 0.713645 O\n0.238113 0.522949 0.778636 O\n0.745620 0.019299 0.286353 O\n0.500683 0.744549 0.955612 O\n0.999663 0.232514 0.461313 O\n0.763662 0.523628 0.777345 O\n0.254178 0.019123 0.286461 O\n",
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{
"id": "mp-1079673",
"created_at": "2022-09-04T14:48:05.846190Z",
"structure_string": "Th2 Se6\n1.0\n4.262402 0.000000 0.000000\n0.000000 5.815511 0.000000\n0.000000 1.037854 9.967520\nTh Se\n2 6\ndirect\n0.250000 0.723563 0.652796 Th\n0.750000 0.276437 0.347204 Th\n0.250000 0.239341 0.558621 Se\n0.750000 0.760659 0.441379 Se\n0.250000 0.519092 0.178565 Se\n0.750000 0.480908 0.821435 Se\n0.250000 0.109833 0.169836 Se\n0.750000 0.890167 0.830164 Se\n",
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{
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"structure_string": "K2 Ta1 Ag1 Cl6\n1.0\n0.000000 5.199900 5.199900\n5.199900 0.000000 5.199900\n5.199900 5.199900 0.000000\nK Ta Ag Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.261579 0.261579 0.738421 Cl\n0.261579 0.738421 0.738421 Cl\n0.738421 0.738421 0.261579 Cl\n0.261579 0.738421 0.261579 Cl\n0.738421 0.261579 0.738421 Cl\n0.738421 0.261579 0.261579 Cl\n",
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