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{
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{
"id": "mp-1223138",
"created_at": "2022-09-04T14:43:51.319092Z",
"structure_string": "La8 Ti4 Mn4 O24\n1.0\n0.000010 0.008055 5.637145\n5.762656 8.028108 0.011379\n-5.762560 8.028038 0.011360\nLa Ti Mn O\n8 4 4 24\ndirect\n0.488948 0.398527 0.852034 La\n0.488952 0.898526 0.352022 La\n0.011050 0.147970 0.101485 La\n0.011055 0.647979 0.601483 La\n0.511049 0.601476 0.147971 La\n0.511046 0.101476 0.647983 La\n0.988944 0.852033 0.898517 La\n0.988957 0.352022 0.398525 La\n0.999998 0.499999 0.000001 Ti\n0.000000 0.000000 0.499997 Ti\n0.499996 0.000000 0.000000 Ti\n0.500002 0.500000 0.499998 Ti\n0.000002 0.750002 0.250000 Mn\n0.499999 0.750000 0.749998 Mn\n0.999999 0.250001 0.749998 Mn\n0.500009 0.249999 0.250001 Mn\n0.595991 0.603401 0.633703 O\n0.595987 0.103403 0.133701 O\n0.904012 0.366301 0.896588 O\n0.904012 0.866303 0.396589 O\n0.404015 0.396598 0.366295 O\n0.404009 0.896596 0.866300 O\n0.095987 0.633698 0.103410 O\n0.095993 0.133698 0.603413 O\n0.690725 0.831959 0.115064 O\n0.690729 0.331960 0.615062 O\n0.809272 0.384938 0.168037 O\n0.809279 0.884936 0.668041 O\n0.309271 0.168039 0.884937 O\n0.309281 0.668041 0.384935 O\n0.190718 0.615062 0.831961 O\n0.190723 0.115060 0.331958 O\n0.281598 0.378647 0.072120 O\n0.281606 0.878648 0.572117 O\n0.218399 0.427881 0.621357 O\n0.218397 0.927881 0.121354 O\n0.718396 0.621353 0.927881 O\n0.718397 0.121353 0.427877 O\n0.781603 0.572118 0.378643 O\n0.781599 0.072118 0.878644 O\n",
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{
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"created_at": "2022-09-04T14:43:46.235995Z",
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"volume": 130.99818633015343,
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"formula_full": "Rb2 H2 F4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:18.191000Z",
"spacegroup": 140
},
{
"id": "mp-643989",
"created_at": "2022-09-04T14:44:20.159932Z",
"structure_string": "K2 H2 C2 O4\n1.0\n2.965597 -3.475583 0.000000\n2.965597 3.475583 0.000000\n0.000000 0.000000 7.051830\nK H C O\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.441602 0.558398 0.250000 H\n0.558398 0.441602 0.750000 H\n0.601836 0.398164 0.250000 C\n0.398164 0.601836 0.750000 C\n0.494740 0.123376 0.250000 O\n0.123376 0.494740 0.750000 O\n0.505260 0.876624 0.750000 O\n0.876624 0.505260 0.250000 O\n",
"nsites": 10,
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"density_atomic": 0.06879048512848703,
"volume": 145.36894137789517,
"volume_molar": 8.754322271098731,
"formula_full": "K2 H2 C2 O4",
"formula_reduced": "KHCO2",
"formula_anonymous": "ABCD2",
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{
"id": "mp-769374",
"created_at": "2022-09-04T14:43:46.229033Z",
"structure_string": "Li8 B20 Sb4 O40\n1.0\n16.310320 0.000000 0.000000\n0.000000 6.955512 0.000000\n0.000000 0.691984 7.073988\nLi B Sb O\n8 20 4 40\ndirect\n0.843057 0.968049 0.105942 Li\n0.656943 0.468049 0.105942 Li\n0.091240 0.415658 0.323652 Li\n0.408760 0.915658 0.323652 Li\n0.591240 0.084342 0.676348 Li\n0.908760 0.584342 0.676348 Li\n0.343057 0.531951 0.894058 Li\n0.156943 0.031951 0.894058 Li\n0.974920 0.103624 0.197703 B\n0.525080 0.603624 0.197703 B\n0.236037 0.523235 0.225101 B\n0.263963 0.023235 0.225101 B\n0.483281 0.263814 0.259926 B\n0.016719 0.763814 0.259926 B\n0.384467 0.524988 0.317211 B\n0.115533 0.024988 0.317211 B\n0.727018 0.424794 0.452870 B\n0.772982 0.924794 0.452870 B\n0.227018 0.075206 0.547130 B\n0.272982 0.575206 0.547130 B\n0.884467 0.975012 0.682789 B\n0.615533 0.475012 0.682789 B\n0.983281 0.236186 0.740074 B\n0.516719 0.736186 0.740074 B\n0.736037 0.976765 0.774899 B\n0.763963 0.476765 0.774899 B\n0.474920 0.396376 0.802297 B\n0.025080 0.896376 0.802297 B\n0.866986 0.490668 0.168352 Sb\n0.633014 0.990668 0.168352 Sb\n0.366986 0.009332 0.831648 Sb\n0.133014 0.509332 0.831648 Sb\n0.170327 0.511923 0.108090 O\n0.329673 0.011923 0.108090 O\n0.905960 0.216187 0.156138 O\n0.594040 0.716187 0.156138 O\n0.183690 0.038493 0.168389 O\n0.538632 0.407295 0.175690 O\n0.316310 0.538493 0.168389 O\n0.961368 0.907295 0.175690 O\n0.500297 0.074185 0.254996 O\n0.999703 0.574185 0.254996 O\n0.750322 0.382071 0.275396 O\n0.049577 0.165574 0.251465 O\n0.749678 0.882071 0.275396 O\n0.450423 0.665574 0.251465 O\n0.414546 0.328532 0.345137 O\n0.085454 0.828532 0.345137 O\n0.214791 0.514627 0.418711 O\n0.285209 0.014627 0.418711 O\n0.647230 0.407109 0.507640 O\n0.147230 0.092891 0.492360 O\n0.852770 0.907109 0.507640 O\n0.352770 0.592891 0.492360 O\n0.714791 0.985373 0.581289 O\n0.785209 0.485373 0.581289 O\n0.914546 0.171468 0.654863 O\n0.585454 0.671468 0.654863 O\n0.549577 0.334426 0.748535 O\n0.250322 0.117929 0.724604 O\n0.950423 0.834426 0.748535 O\n0.249678 0.617929 0.724604 O\n0.000297 0.425815 0.745004 O\n0.499703 0.925815 0.745004 O\n0.038632 0.092705 0.824310 O\n0.683690 0.461507 0.831611 O\n0.461368 0.592705 0.824310 O\n0.816310 0.961507 0.831611 O\n0.405960 0.283813 0.843862 O\n0.094040 0.783813 0.843862 O\n0.670327 0.988077 0.891910 O\n0.829673 0.488077 0.891910 O\n",
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"elements": [
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],
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"density": 2.8942606435451257,
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"volume": 802.5200743871663,
"volume_molar": 6.712345625951648,
"formula_full": "Li8 B20 Sb4 O40",
"formula_reduced": "Li2B5SbO10",
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"energy": -551.96600897,
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"spacegroup": 14
},
{
"id": "mp-1033497",
"created_at": "2022-09-04T14:43:37.515822Z",
"structure_string": "Cs1 Mg6 Bi1 O8\n1.0\n9.161666 0.000000 -0.000000\n0.000000 4.822316 0.000000\n0.000000 0.000000 4.822316\nCs Mg Bi O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Cs\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.277438 0.000000 0.500000 Mg\n0.722562 -0.000000 0.500000 Mg\n0.277438 0.500000 0.000000 Mg\n0.722562 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.500000 Bi\n0.291347 0.000000 -0.000000 O\n0.708653 -0.000000 0.000000 O\n0.270264 0.500000 0.500000 O\n0.729736 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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],
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"formula_full": "Cs1 Mg6 Bi1 O8",
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"spacegroup": 123
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{
"id": "mp-18772",
"created_at": "2022-09-04T14:44:09.395953Z",
"structure_string": "Na8 Mo2 N4 O4\n1.0\n5.917384 0.000000 0.000000\n2.144236 5.551748 0.000000\n2.848481 0.104805 8.520532\nNa Mo N O\n8 2 4 4\ndirect\n0.240484 0.761527 0.985113 Na\n0.759516 0.238473 0.014887 Na\n0.056468 0.757658 0.402471 Na\n0.943532 0.242342 0.597529 Na\n0.479105 0.739893 0.557259 Na\n0.520895 0.260107 0.442741 Na\n0.612828 0.723505 0.183722 Na\n0.387172 0.276495 0.816278 Na\n0.841730 0.719799 0.762181 Mo\n0.158270 0.280201 0.237819 Mo\n0.295277 0.037714 0.362269 N\n0.156744 0.543246 0.645861 N\n0.843256 0.456754 0.354139 N\n0.704723 0.962286 0.637731 N\n0.640183 0.515586 0.814301 O\n0.150267 0.156330 0.054754 O\n0.359817 0.484414 0.185699 O\n0.849733 0.843670 0.945246 O\n",
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{
"id": "mp-1208589",
"created_at": "2022-09-04T14:43:15.704691Z",
"structure_string": "Ta4 Mn4 O16\n1.0\n0.047147 -0.000003 -5.032672\n0.000002 -5.762860 -0.000004\n-9.433742 0.000004 0.284676\nTa Mn O\n4 4 16\ndirect\n0.749991 0.332209 0.250007 Ta\n0.750004 0.332211 0.749992 Ta\n0.250010 0.667790 0.249994 Ta\n0.249993 0.667789 0.750010 Ta\n0.750004 0.841025 0.500001 Mn\n0.250009 0.158963 0.000002 Mn\n0.750003 0.841303 0.999997 Mn\n0.249994 0.158719 0.500004 Mn\n0.426862 0.875732 0.385715 O\n0.426846 0.875750 0.885706 O\n0.573136 0.124264 0.114286 O\n0.573151 0.124250 0.614292 O\n0.073150 0.875751 0.114289 O\n0.073138 0.875733 0.614286 O\n0.926848 0.124250 0.385710 O\n0.926863 0.124266 0.885714 O\n0.928711 0.612662 0.360340 O\n0.928714 0.612668 0.860341 O\n0.071286 0.387338 0.139659 O\n0.071288 0.387330 0.639657 O\n0.571289 0.612669 0.139658 O\n0.571289 0.612658 0.639660 O\n0.428710 0.387332 0.360341 O\n0.428709 0.387338 0.860339 O\n",
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{
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