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{
"id": "mp-756510",
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"structure_string": "K8 Ti2 O8\n1.0\n6.454785 0.000000 0.000000\n2.546332 5.955924 0.000000\n1.694192 2.539343 9.197484\nK Ti O\n8 2 8\ndirect\n0.277814 0.037820 0.382535 K\n0.245457 0.589895 0.163954 K\n0.226326 0.487281 0.561795 K\n0.256033 0.235324 0.972991 K\n0.743967 0.764676 0.027009 K\n0.773674 0.512719 0.438205 K\n0.754543 0.410105 0.836046 K\n0.722186 0.962180 0.617465 K\n0.224361 0.844728 0.752132 Ti\n0.775639 0.155272 0.247868 Ti\n0.050563 0.142183 0.652748 O\n0.045792 0.665025 0.807432 O\n0.637087 0.160083 0.094635 O\n0.546871 0.289375 0.372938 O\n0.453129 0.710625 0.627062 O\n0.362913 0.839917 0.905365 O\n0.954208 0.334975 0.192568 O\n0.949437 0.857817 0.347252 O\n",
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{
"id": "mp-756511",
"created_at": "2022-09-04T14:42:45.459951Z",
"structure_string": "Li4 V4 B4 O16\n1.0\n3.113953 0.000000 0.000000\n0.000000 9.087917 0.000000\n0.000000 0.000000 9.415044\nLi V B O\n4 4 4 16\ndirect\n0.750000 0.121992 0.934921 Li\n0.250000 0.378008 0.434921 Li\n0.750000 0.621992 0.565079 Li\n0.250000 0.878008 0.065079 Li\n0.750000 0.107569 0.290886 V\n0.250000 0.392431 0.790886 V\n0.750000 0.607569 0.209114 V\n0.250000 0.892431 0.709114 V\n0.750000 0.165044 0.614568 B\n0.250000 0.334956 0.114568 B\n0.750000 0.665044 0.885432 B\n0.250000 0.834956 0.385432 B\n0.750000 0.025213 0.130679 O\n0.750000 0.011277 0.632427 O\n0.750000 0.225644 0.484522 O\n0.750000 0.248688 0.741321 O\n0.250000 0.251312 0.241321 O\n0.250000 0.274356 0.984522 O\n0.250000 0.488723 0.132427 O\n0.250000 0.474787 0.630679 O\n0.750000 0.525213 0.369321 O\n0.750000 0.511277 0.867573 O\n0.750000 0.725644 0.015478 O\n0.750000 0.748688 0.758679 O\n0.250000 0.751312 0.258679 O\n0.250000 0.774356 0.515478 O\n0.250000 0.988723 0.367573 O\n0.250000 0.974787 0.869321 O\n",
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"formula_full": "Li4 V4 B4 O16",
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{
"id": "mp-756512",
"created_at": "2022-09-04T14:45:29.429890Z",
"structure_string": "Li6 Cr6 Co2 O16\n1.0\n5.090218 -0.004081 -0.002681\n1.676028 5.615557 0.012560\n2.508052 2.305819 9.999454\nLi Cr Co O\n6 6 2 16\ndirect\n0.999979 0.128559 0.250014 Li\n0.001902 0.257795 0.497070 Li\n0.001311 0.620500 0.251535 Li\n0.005900 0.863917 0.747335 Li\n0.996351 0.998690 0.000711 Li\n0.996746 0.384842 0.753815 Li\n0.499968 0.314973 0.126192 Cr\n0.508401 0.061568 0.622456 Cr\n0.501186 0.934705 0.374098 Cr\n0.504422 0.562161 0.621376 Cr\n0.490283 0.190115 0.877154 Cr\n0.496858 0.686282 0.877934 Cr\n0.491587 0.440384 0.374209 Co\n0.506930 0.809528 0.125847 Co\n0.284674 0.128544 0.067598 O\n0.272539 0.276792 0.311802 O\n0.286727 0.661289 0.067127 O\n0.272733 0.027891 0.805708 O\n0.288631 0.385729 0.560164 O\n0.290549 0.772182 0.299716 O\n0.289082 0.906650 0.561634 O\n0.277689 0.529440 0.804322 O\n0.708592 0.483098 0.196647 O\n0.713285 0.114332 0.437797 O\n0.713504 0.591221 0.434057 O\n0.725643 0.969359 0.187073 O\n0.728809 0.218932 0.688741 O\n0.719527 0.729723 0.692015 O\n0.715644 0.346370 0.939513 O\n0.710521 0.854427 0.946335 O\n",
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"formula_full": "Li6 Cr6 Co2 O16",
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"spacegroup": 2
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{
"id": "mp-756513",
"created_at": "2022-09-04T14:42:59.488010Z",
"structure_string": "Mn3 Cu1 O8\n1.0\n5.076491 -2.915722 0.000000\n5.076491 2.915722 0.000000\n3.401823 0.000000 4.764430\nMn Cu O\n3 1 8\ndirect\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cu\n0.264968 0.264968 0.264968 O\n0.705400 0.262464 0.262464 O\n0.262464 0.262464 0.705400 O\n0.262464 0.705400 0.262464 O\n0.737536 0.294600 0.737536 O\n0.737536 0.737536 0.294600 O\n0.294600 0.737536 0.737536 O\n0.735032 0.735032 0.735032 O\n",
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"formula_full": "Mn3 Cu1 O8",
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"updated_at": "2021-11-28T01:36:05.828000Z",
"spacegroup": 166
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{
"id": "mp-756514",
"created_at": "2022-09-04T14:42:46.623433Z",
"structure_string": "Li16 Y12 Cr4 O32\n1.0\n5.878361 -0.134549 0.000015\n2.760151 5.191789 0.000018\n0.000109 0.000079 24.741032\nLi Y Cr O\n16 12 4 32\ndirect\n0.000036 0.999962 0.125000 Li\n0.000036 0.999962 0.375000 Li\n0.000037 0.999961 0.624999 Li\n0.000036 0.999962 0.874999 Li\n0.500027 0.499973 0.000000 Li\n0.500027 0.499974 0.250006 Li\n0.500027 0.499975 0.499996 Li\n0.500027 0.499974 0.750002 Li\n0.499999 0.999968 0.186738 Li\n0.499998 0.999968 0.436725 Li\n0.499999 0.999969 0.686725 Li\n0.499998 0.999969 0.936725 Li\n0.000037 0.500006 0.063277 Li\n0.000037 0.500006 0.313277 Li\n0.000036 0.500007 0.563263 Li\n0.000036 0.500006 0.813277 Li\n0.500008 0.499995 0.125001 Y\n0.500004 0.499997 0.375000 Y\n0.500007 0.499997 0.624998 Y\n0.500008 0.499994 0.875000 Y\n0.000001 0.499994 0.189559 Y\n0.000000 0.499993 0.439552 Y\n0.999997 0.499995 0.689557 Y\n0.999999 0.499990 0.939552 Y\n0.500004 0.000003 0.060442 Y\n0.500002 0.000003 0.310447 Y\n0.500005 0.000003 0.560441 Y\n0.500003 0.000003 0.810448 Y\n0.000017 0.999985 0.750000 Cr\n0.000009 0.999976 0.999996 Cr\n0.000010 0.999987 0.250006 Cr\n0.000005 0.999992 0.500000 Cr\n0.725064 0.725204 0.125020 O\n0.725015 0.725184 0.375020 O\n0.725030 0.725237 0.625019 O\n0.725043 0.725220 0.875020 O\n0.274765 0.274977 0.124980 O\n0.274811 0.274997 0.374980 O\n0.274796 0.274943 0.624980 O\n0.274781 0.274960 0.874980 O\n0.206721 0.206603 0.249999 O\n0.206674 0.206654 0.499984 O\n0.206708 0.206645 0.749998 O\n0.206713 0.206638 0.999984 O\n0.793349 0.793296 0.999999 O\n0.793341 0.793330 0.250015 O\n0.793388 0.793280 0.500000 O\n0.793352 0.793293 0.750014 O\n0.772244 0.256727 0.190856 O\n0.772186 0.256841 0.440842 O\n0.772195 0.256757 0.690844 O\n0.772198 0.256771 0.940839 O\n0.227752 0.743267 0.190854 O\n0.227807 0.743151 0.440841 O\n0.227796 0.743237 0.690843 O\n0.227796 0.743219 0.940837 O\n0.256758 0.772204 0.059157 O\n0.256840 0.772190 0.309161 O\n0.256731 0.772248 0.559147 O\n0.256775 0.772204 0.809163 O\n0.743244 0.227799 0.059154 O\n0.743162 0.227812 0.309158 O\n0.743271 0.227758 0.559144 O\n0.743226 0.227801 0.809161 O\n",
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"formula_full": "Li16 Y12 Cr4 O32",
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{
"id": "mp-756515",
"created_at": "2022-09-04T14:48:16.202820Z",
"structure_string": "Li4 Nb1 Te3 O12\n1.0\n8.934690 0.000000 0.000000\n0.000000 5.051792 0.000000\n0.000000 0.040788 5.355029\nLi Nb Te O\n4 1 3 12\ndirect\n0.310742 0.000000 0.000000 Li\n0.169323 0.500000 0.000000 Li\n0.692887 0.000000 0.500000 Li\n0.801059 0.500000 0.500000 Li\n0.897942 0.000000 0.000000 Nb\n0.592949 0.500000 0.000000 Te\n0.083024 0.000000 0.500000 Te\n0.397449 0.500000 0.500000 Te\n0.741684 0.263381 0.853361 O\n0.431684 0.286100 0.846845 O\n0.062577 0.209643 0.829250 O\n0.584417 0.699499 0.684799 O\n0.900802 0.803432 0.674923 O\n0.235608 0.764919 0.671263 O\n0.235608 0.235081 0.328737 O\n0.900802 0.196568 0.325077 O\n0.584417 0.300501 0.315201 O\n0.062577 0.790357 0.170750 O\n0.431684 0.713900 0.153155 O\n0.741684 0.736619 0.146639 O\n",
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{
"id": "mp-756516",
"created_at": "2022-09-04T14:41:23.321275Z",
"structure_string": "Li4 Mn4 O8\n1.0\n2.961329 5.171650 0.000000\n-2.961329 5.171650 0.000000\n0.000000 3.378836 4.857152\nLi Mn O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.750065 0.750065 0.714957 O\n0.230494 0.741114 0.258960 O\n0.741114 0.230494 0.258960 O\n0.249935 0.249935 0.285043 O\n0.258891 0.258891 0.753710 O\n0.769506 0.258886 0.741040 O\n0.258886 0.769506 0.741040 O\n0.741109 0.741109 0.246290 O\n",
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{
"id": "mp-756517",
"created_at": "2022-09-04T14:45:55.409312Z",
"structure_string": "Na6 Cu2 B2 P2 O14\n1.0\n6.484972 0.000000 0.000000\n0.000000 5.222122 0.000000\n0.000000 0.179908 9.005898\nNa Cu B P O\n6 2 2 2 14\ndirect\n0.750000 0.240699 0.918850 Na\n0.998934 0.753890 0.741126 Na\n0.501066 0.753890 0.741126 Na\n0.498934 0.246110 0.258874 Na\n0.001066 0.246110 0.258874 Na\n0.250000 0.759301 0.081150 Na\n0.250000 0.225610 0.657695 Cu\n0.750000 0.774390 0.342305 Cu\n0.250000 0.263851 0.935125 B\n0.750000 0.736149 0.064875 B\n0.750000 0.296805 0.577973 P\n0.250000 0.703195 0.422027 P\n0.750000 0.714288 0.915911 O\n0.250000 0.032173 0.862704 O\n0.250000 0.472525 0.837145 O\n0.937322 0.220640 0.679293 O\n0.562678 0.220640 0.679293 O\n0.750000 0.592817 0.548053 O\n0.250000 0.845665 0.569292 O\n0.750000 0.154335 0.430708 O\n0.250000 0.407183 0.451947 O\n0.437322 0.779360 0.320707 O\n0.062678 0.779360 0.320707 O\n0.750000 0.527475 0.162855 O\n0.750000 0.967827 0.137296 O\n0.250000 0.285712 0.084089 O\n",
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{
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"structure_string": "Li2 Fe3 Co1 O8\n1.0\n5.095769 -2.963158 0.000000\n5.095769 2.963158 0.000000\n3.372710 0.000000 4.834459\nLi Fe Co O\n2 3 1 8\ndirect\n0.880185 0.880185 0.880185 Li\n0.501266 0.501266 0.501266 Li\n0.993038 0.502861 0.502861 Fe\n0.502861 0.993038 0.502861 Fe\n0.502861 0.502861 0.993038 Fe\n0.116712 0.116712 0.116712 Co\n0.745942 0.745942 0.745942 O\n0.747141 0.747141 0.292920 O\n0.747141 0.292920 0.747141 O\n0.292920 0.747141 0.747141 O\n0.712246 0.252415 0.252415 O\n0.252415 0.712246 0.252415 O\n0.252415 0.252415 0.712246 O\n0.252857 0.252857 0.252857 O\n",
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"updated_at": "2021-11-28T01:34:32.306000Z",
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},
{
"id": "mp-756519",
"created_at": "2022-09-04T14:40:52.612681Z",
"structure_string": "Li1 Re4 O12\n1.0\n-3.734298 3.745986 3.772160\n3.734298 -3.745986 3.772160\n3.734298 3.745986 -3.772160\nLi Re O\n1 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.286890 0.791973 0.078863 O\n0.215949 0.933251 0.717302 O\n0.215949 0.498647 0.282698 O\n0.934529 0.718814 0.215714 O\n0.496900 0.281186 0.215714 O\n0.713110 0.791973 0.505084 O\n0.286890 0.208027 0.494916 O\n0.065471 0.281186 0.784286 O\n0.503100 0.718814 0.784286 O\n0.784051 0.501353 0.717302 O\n0.784051 0.066749 0.282698 O\n0.713110 0.208027 0.921137 O\n",
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"elements": [
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],
"chemical_system": "Li-O-Re",
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"formula_full": "Li1 Re4 O12",
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"updated_at": "2021-11-28T01:35:00.594000Z",
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{
"id": "mp-756520",
"created_at": "2022-09-04T14:43:06.435398Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n3.758790 3.789942 -0.000051\n-3.758790 3.789942 0.000050\n-0.000085 -0.000001 6.323468\nLi Al Co O\n4 2 2 8\ndirect\n0.316980 0.683021 0.500001 Li\n0.683021 0.316980 0.999999 Li\n0.184082 0.184082 0.750000 Li\n0.815917 0.815917 0.250000 Li\n0.320745 0.679263 0.999998 Al\n0.679263 0.320745 0.500002 Al\n0.174525 0.174525 0.250000 Co\n0.825481 0.825481 0.750000 Co\n0.198388 0.822860 0.231975 O\n0.177144 0.801611 0.768030 O\n0.801611 0.177144 0.731970 O\n0.822860 0.198388 0.268025 O\n0.292320 0.346423 0.013902 O\n0.653566 0.707673 0.986101 O\n0.346423 0.292320 0.486098 O\n0.707673 0.653566 0.513899 O\n",
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"elements": [
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],
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"density_atomic": 0.08880839788994521,
"volume": 180.16314200181628,
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"formula_full": "Li4 Al2 Co2 O8",
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"updated_at": "2021-11-28T01:36:12.362000Z",
"spacegroup": 20
},
{
"id": "mp-756521",
"created_at": "2022-09-04T14:39:16.772444Z",
"structure_string": "Ba4 Na8 O8\n1.0\n6.972947 0.000000 0.000000\n0.000000 6.672469 0.000000\n0.000000 1.191923 8.336398\nBa Na O\n4 8 8\ndirect\n0.408401 0.092089 0.696752 Ba\n0.091599 0.592089 0.696752 Ba\n0.908401 0.407911 0.303248 Ba\n0.591599 0.907911 0.303248 Ba\n0.358478 0.352516 0.051641 Na\n0.141522 0.852516 0.051641 Na\n0.867234 0.041614 0.621012 Na\n0.632766 0.541614 0.621012 Na\n0.367234 0.458386 0.378988 Na\n0.132766 0.958386 0.378988 Na\n0.858478 0.147484 0.948359 Na\n0.641522 0.647484 0.948359 Na\n0.594708 0.333363 0.863158 O\n0.905292 0.833363 0.863158 O\n0.120887 0.266164 0.543607 O\n0.379113 0.766164 0.543607 O\n0.620887 0.233836 0.456393 O\n0.879113 0.733836 0.456393 O\n0.094708 0.166637 0.136842 O\n0.405292 0.666637 0.136842 O\n",
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],
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"density": 3.687079632697593,
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"volume": 387.8656948505811,
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"formula_full": "Ba4 Na8 O8",
"formula_reduced": "BaNa2O2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:34:30.358000Z",
"spacegroup": 14
}
]
}