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{
"id": "mp-26087",
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"structure_string": "Li12 Co8 P12 O48\n1.0\n8.717461 0.000000 0.000000\n0.000000 8.716301 0.000000\n0.000000 0.282525 12.134715\nLi Co P O\n12 8 12 48\ndirect\n0.071085 0.922893 0.704296 Li\n0.928915 0.077107 0.295704 Li\n0.302044 0.084575 0.241882 Li\n0.225012 0.208891 0.821020 Li\n0.725012 0.291109 0.678980 Li\n0.802044 0.415425 0.258118 Li\n0.428915 0.422893 0.204296 Li\n0.571085 0.577107 0.795704 Li\n0.197956 0.584575 0.741882 Li\n0.697956 0.915425 0.758118 Li\n0.774988 0.791109 0.178980 Li\n0.274988 0.708891 0.321020 Li\n0.473178 0.245424 0.397027 Co\n0.973178 0.254576 0.102973 Co\n0.540972 0.244395 0.893262 Co\n0.040972 0.255605 0.606738 Co\n0.959028 0.744395 0.393262 Co\n0.459028 0.755605 0.106738 Co\n0.026822 0.745424 0.897027 Co\n0.526822 0.754576 0.602973 Co\n0.881913 0.604721 0.647866 P\n0.601996 0.603145 0.349487 P\n0.744994 0.537131 0.006479 P\n0.255006 0.462869 0.993521 P\n0.398004 0.396855 0.650513 P\n0.118087 0.395279 0.352134 P\n0.898004 0.103145 0.849487 P\n0.618087 0.104721 0.147866 P\n0.244994 0.962869 0.493521 P\n0.381913 0.895279 0.852134 P\n0.101996 0.896855 0.150513 P\n0.755006 0.037131 0.506479 P\n0.168934 0.825811 0.435501 O\n0.784312 0.146271 0.181098 O\n0.594286 0.149549 0.023259 O\n0.622919 0.104631 0.432559 O\n0.402785 0.069485 0.835096 O\n0.310617 0.071433 0.403457 O\n0.106025 0.076556 0.154705 O\n0.134090 0.041410 0.573121 O\n0.865910 0.958590 0.426879 O\n0.893975 0.923444 0.845295 O\n0.689383 0.928567 0.596543 O\n0.597215 0.930515 0.164904 O\n0.377081 0.895369 0.567441 O\n0.405714 0.850451 0.976741 O\n0.215688 0.853729 0.818902 O\n0.978991 0.847300 0.238339 O\n0.264397 0.846343 0.188957 O\n0.021009 0.152700 0.761661 O\n0.053670 0.836550 0.039400 O\n0.504583 0.805484 0.787178 O\n0.004583 0.694516 0.712822 O\n0.553670 0.663450 0.460600 O\n0.668934 0.674189 0.064499 O\n0.764397 0.653657 0.311043 O\n0.715688 0.646271 0.681098 O\n0.905714 0.649549 0.523259 O\n0.478991 0.652700 0.261661 O\n0.877081 0.604631 0.932559 O\n0.189383 0.571433 0.903457 O\n0.393975 0.576556 0.654705 O\n0.097215 0.569485 0.335096 O\n0.365910 0.541410 0.073121 O\n0.634090 0.458590 0.926879 O\n0.902785 0.430515 0.664904 O\n0.606025 0.423444 0.345295 O\n0.810617 0.428567 0.096543 O\n0.122919 0.395369 0.067441 O\n0.521009 0.347300 0.738339 O\n0.094286 0.350451 0.476741 O\n0.284312 0.353729 0.318902 O\n0.735603 0.153657 0.811043 O\n0.331066 0.325811 0.935501 O\n0.446330 0.336550 0.539400 O\n0.995417 0.305484 0.287178 O\n0.495417 0.194516 0.212822 O\n0.946330 0.163450 0.960600 O\n0.831066 0.174189 0.564499 O\n0.235603 0.346343 0.688957 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O-P",
"density": 3.05152400515119,
"density_atomic": 0.08676372191945861,
"volume": 922.0443548314206,
"volume_molar": 6.940851114697752,
"formula_full": "Li12 Co8 P12 O48",
"formula_reduced": "Li3Co2(PO4)3",
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"updated_at": "2021-11-28T01:35:07.206000Z",
"spacegroup": 14
},
{
"id": "mp-1019736",
"created_at": "2022-09-04T14:43:24.767715Z",
"structure_string": "Cs4 Eu4 P16 O48\n1.0\n9.138064 0.000000 0.000000\n0.000000 10.642522 0.000000\n0.000000 7.309005 10.952694\nCs Eu P O\n4 4 16 48\ndirect\n0.435790 0.774787 0.038903 Cs\n0.064210 0.774787 0.538903 Cs\n0.564210 0.225213 0.961097 Cs\n0.935790 0.225213 0.461097 Cs\n0.725693 0.682487 0.319326 Eu\n0.774307 0.682487 0.819326 Eu\n0.274307 0.317513 0.680674 Eu\n0.225693 0.317513 0.180674 Eu\n0.324847 0.674982 0.364893 P\n0.175153 0.674982 0.864893 P\n0.675153 0.325018 0.635107 P\n0.824847 0.325018 0.135107 P\n0.530880 0.034499 0.713185 P\n0.969120 0.034499 0.213185 P\n0.469120 0.965501 0.286815 P\n0.030880 0.965501 0.786815 P\n0.896735 0.799190 0.026446 P\n0.603265 0.799190 0.526446 P\n0.103265 0.200810 0.973554 P\n0.396735 0.200810 0.473554 P\n0.092330 0.613964 0.241967 P\n0.407670 0.613964 0.741967 P\n0.907670 0.386036 0.758033 P\n0.592330 0.386036 0.258033 P\n0.597213 0.880457 0.791287 O\n0.902787 0.880457 0.291287 O\n0.402787 0.119543 0.208713 O\n0.097213 0.119543 0.708713 O\n0.462109 0.048367 0.593109 O\n0.037891 0.048367 0.093109 O\n0.537891 0.951633 0.406891 O\n0.962109 0.951633 0.906891 O\n0.419612 0.077704 0.773142 O\n0.080388 0.077704 0.273142 O\n0.580388 0.922296 0.226858 O\n0.919612 0.922296 0.726858 O\n0.465399 0.633372 0.331677 O\n0.034601 0.633372 0.831677 O\n0.534601 0.366628 0.668323 O\n0.965399 0.366628 0.168323 O\n0.660792 0.699955 0.487479 O\n0.839208 0.699955 0.987479 O\n0.339208 0.300045 0.512521 O\n0.160792 0.300045 0.012521 O\n0.792634 0.836599 0.094427 O\n0.707366 0.836599 0.594427 O\n0.207366 0.163401 0.905573 O\n0.292634 0.163401 0.405573 O\n0.744391 0.427738 0.512745 O\n0.755609 0.427738 0.012745 O\n0.255609 0.572262 0.487255 O\n0.244391 0.572262 0.987255 O\n0.206721 0.720111 0.256729 O\n0.293279 0.720111 0.756729 O\n0.793279 0.279889 0.743271 O\n0.706721 0.279889 0.243271 O\n0.049492 0.733457 0.100715 O\n0.450508 0.733457 0.600715 O\n0.950508 0.266543 0.899285 O\n0.549492 0.266543 0.399285 O\n0.674559 0.514498 0.247458 O\n0.825441 0.514498 0.747458 O\n0.325441 0.485502 0.752542 O\n0.174559 0.485502 0.252542 O\n0.962067 0.579312 0.322896 O\n0.537933 0.579312 0.822896 O\n0.037933 0.420688 0.677104 O\n0.462067 0.420688 0.177104 O\n0.661106 0.160183 0.654881 O\n0.838894 0.160183 0.154881 O\n0.338894 0.839817 0.345119 O\n0.161106 0.839817 0.845119 O\n",
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"elements": [
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"chemical_system": "Cs-Eu-O-P",
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"formula_full": "Cs4 Eu4 P16 O48",
"formula_reduced": "CsEu(PO3)4",
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"energy": -569.76397381,
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{
"id": "mp-1176950",
"created_at": "2022-09-04T14:41:35.257374Z",
"structure_string": "Li8 Mn7 Cu1 P12 O48\n1.0\n8.537446 0.000000 0.000000\n0.190845 8.811009 0.000000\n0.015836 0.050174 11.960995\nLi Mn Cu P O\n8 7 1 12 48\ndirect\n0.217146 0.720570 0.181651 Li\n0.215105 0.775632 0.818587 Li\n0.285798 0.224052 0.317390 Li\n0.282102 0.280427 0.680937 Li\n0.716316 0.718962 0.319691 Li\n0.713784 0.773732 0.683533 Li\n0.785230 0.224606 0.181534 Li\n0.784147 0.279970 0.815642 Li\n0.247865 0.962044 0.612312 Mn\n0.249947 0.533441 0.385353 Mn\n0.252278 0.037186 0.112038 Mn\n0.250522 0.465686 0.884996 Mn\n0.749129 0.534610 0.115320 Mn\n0.748313 0.963525 0.887779 Mn\n0.752170 0.037289 0.387046 Mn\n0.753693 0.465606 0.613210 Cu\n0.105955 0.393539 0.145051 P\n0.104940 0.103046 0.850683 P\n0.394637 0.606135 0.644811 P\n0.395116 0.896421 0.350956 P\n0.605317 0.105433 0.647169 P\n0.606192 0.393559 0.355615 P\n0.894316 0.607523 0.855721 P\n0.895184 0.896635 0.149215 P\n0.033967 0.244749 0.499966 P\n0.465986 0.755355 0.999803 P\n0.534376 0.245053 0.999490 P\n0.965668 0.751453 0.500247 P\n0.059485 0.643666 0.425317 O\n0.059509 0.860375 0.574227 O\n0.077503 0.899991 0.157843 O\n0.075596 0.607036 0.842915 O\n0.141934 0.153472 0.585054 O\n0.142828 0.325544 0.418602 O\n0.154330 0.437716 0.027250 O\n0.153779 0.057384 0.970546 O\n0.162226 0.229420 0.176752 O\n0.155326 0.261024 0.816656 O\n0.176845 0.511372 0.226003 O\n0.178851 0.978920 0.772322 O\n0.321293 0.020602 0.272476 O\n0.321506 0.488270 0.725836 O\n0.336029 0.769950 0.676517 O\n0.344302 0.738578 0.317374 O\n0.345140 0.562183 0.527326 O\n0.346035 0.941473 0.470972 O\n0.358707 0.844934 0.085529 O\n0.357959 0.673937 0.919241 O\n0.422521 0.100914 0.656346 O\n0.424773 0.393875 0.341105 O\n0.440378 0.137584 0.075329 O\n0.439296 0.353450 0.924833 O\n0.560082 0.646289 0.074656 O\n0.560662 0.863209 0.924556 O\n0.574054 0.609738 0.658295 O\n0.577451 0.899652 0.342368 O\n0.643026 0.326718 0.079803 O\n0.641905 0.155799 0.913722 O\n0.654210 0.059899 0.527937 O\n0.648086 0.440267 0.472915 O\n0.662206 0.229405 0.323009 O\n0.654990 0.265319 0.680809 O\n0.677456 0.510801 0.273009 O\n0.679344 0.982171 0.726623 O\n0.821423 0.020775 0.227428 O\n0.820003 0.489050 0.778194 O\n0.844386 0.738854 0.183905 O\n0.838923 0.772163 0.823389 O\n0.848305 0.566584 0.974823 O\n0.846318 0.942081 0.029184 O\n0.858462 0.668002 0.583608 O\n0.856213 0.842531 0.416940 O\n0.922579 0.099632 0.841916 O\n0.924868 0.393820 0.157659 O\n0.939262 0.138664 0.424005 O\n0.944441 0.350663 0.579131 O\n",
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"formula_full": "Li8 Mn7 Cu1 P12 O48",
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{
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"created_at": "2022-09-04T14:40:58.816468Z",
"structure_string": "Na4 Co9 Mo12 O48\n1.0\n5.283214 0.000000 0.000000\n-0.039998 10.960135 0.000000\n-0.061554 -0.334709 17.995008\nNa Co Mo O\n4 9 12 48\ndirect\n0.239080 0.748133 0.190504 Na\n0.740324 0.752287 0.308021 Na\n0.768912 0.251745 0.806846 Na\n0.264413 0.248606 0.693866 Na\n0.607660 0.749912 0.750241 Co\n0.896453 0.249492 0.250559 Co\n0.396716 0.249397 0.249147 Co\n0.755478 0.070372 0.971701 Co\n0.251903 0.428467 0.528408 Co\n0.761687 0.445899 0.972510 Co\n0.256419 0.056432 0.527501 Co\n0.244771 0.931922 0.022449 Co\n0.749203 0.577001 0.476787 Co\n0.720151 0.511765 0.154466 Mo\n0.220929 0.987585 0.345416 Mo\n0.289209 0.016762 0.847259 Mo\n0.781981 0.479235 0.652842 Mo\n0.294900 0.482672 0.850196 Mo\n0.788054 0.019472 0.649902 Mo\n0.710597 0.980573 0.150890 Mo\n0.213796 0.518945 0.347544 Mo\n0.775030 0.754186 0.945855 Mo\n0.285024 0.747079 0.556607 Mo\n0.221485 0.250199 0.055023 Mo\n0.722051 0.248483 0.445194 Mo\n0.896358 0.470013 0.068879 O\n0.395402 0.029764 0.431454 O\n0.079480 0.987473 0.928581 O\n0.576036 0.507153 0.571465 O\n0.067303 0.513199 0.922865 O\n0.567896 0.992747 0.575180 O\n0.915366 0.017268 0.072215 O\n0.412558 0.482987 0.427588 O\n0.569894 0.887281 0.965812 O\n0.073406 0.614795 0.538460 O\n0.431530 0.369935 0.035364 O\n0.931096 0.128773 0.465691 O\n0.409624 0.114298 0.035170 O\n0.911807 0.383735 0.465718 O\n0.610974 0.612592 0.966495 O\n0.114708 0.886443 0.537051 O\n0.454648 0.595063 0.130180 O\n0.954785 0.904292 0.369728 O\n0.561806 0.105395 0.879455 O\n0.066222 0.397950 0.622417 O\n0.578684 0.397844 0.887434 O\n0.083319 0.099386 0.614116 O\n0.429821 0.900897 0.118472 O\n0.933717 0.598220 0.378970 O\n0.911647 0.608692 0.210461 O\n0.410851 0.890901 0.289484 O\n0.111927 0.109916 0.788002 O\n0.610609 0.382713 0.711191 O\n0.130242 0.381948 0.789954 O\n0.627458 0.122019 0.708841 O\n0.890188 0.882600 0.205278 O\n0.395557 0.616950 0.293907 O\n0.050605 0.771838 0.003755 O\n0.543477 0.730696 0.492717 O\n0.947849 0.250431 0.991431 O\n0.447338 0.248816 0.507869 O\n0.837509 0.754599 0.849226 O\n0.390814 0.746918 0.649966 O\n0.147120 0.253310 0.154474 O\n0.649472 0.245790 0.345422 O\n0.644918 0.372924 0.208402 O\n0.145421 0.126381 0.291470 O\n0.384127 0.883669 0.797786 O\n0.837720 0.618022 0.702614 O\n0.384465 0.614719 0.801632 O\n0.833206 0.883200 0.699421 O\n0.645028 0.121363 0.203797 O\n0.147189 0.377466 0.295205 O\n",
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{
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"formation_energy_per_atom": null,
"energy_uncorrected": -519.55669752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.2711043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.836000Z",
"spacegroup": 1
}
]
}