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{
"id": "mp-756898",
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"structure_string": "Tm4 Ta4 O16\n1.0\n5.301648 0.000000 0.000000\n0.000000 7.549214 0.000000\n0.000000 1.101127 7.484166\nTm Ta O\n4 4 16\ndirect\n0.278736 0.386414 0.354972 Tm\n0.221264 0.886414 0.354972 Tm\n0.778736 0.113586 0.645028 Tm\n0.721264 0.613586 0.645028 Tm\n0.768034 0.189076 0.165788 Ta\n0.731966 0.689076 0.165788 Ta\n0.268034 0.310924 0.834212 Ta\n0.231966 0.810924 0.834212 Ta\n0.099873 0.310325 0.066827 O\n0.400127 0.810325 0.066827 O\n0.621080 0.436957 0.174180 O\n0.878920 0.936957 0.174180 O\n0.489946 0.115954 0.323979 O\n0.984348 0.175018 0.392746 O\n0.010054 0.615954 0.323979 O\n0.515652 0.675018 0.392746 O\n0.484348 0.324982 0.607254 O\n0.989946 0.384046 0.676021 O\n0.015652 0.824982 0.607254 O\n0.510054 0.884046 0.676021 O\n0.121080 0.063043 0.825820 O\n0.378920 0.563043 0.825820 O\n0.599873 0.189675 0.933173 O\n0.900127 0.689675 0.933173 O\n",
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{
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"created_at": "2022-09-04T14:47:26.421131Z",
"structure_string": "Dy2 Te6 O16\n1.0\n2.810344 6.270801 0.000000\n-2.810344 6.270801 0.000000\n0.000000 4.672877 9.441848\nDy Te O\n2 6 16\ndirect\n0.439196 0.560804 0.750000 Dy\n0.560804 0.439196 0.250000 Dy\n0.692546 0.866412 0.857280 Te\n0.866412 0.692546 0.357280 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.133588 0.307454 0.642720 Te\n0.307454 0.133588 0.142720 Te\n0.005377 0.783695 0.905285 O\n0.783695 0.005377 0.405285 O\n0.365305 0.860333 0.867946 O\n0.785231 0.570163 0.585161 O\n0.846917 0.321625 0.829789 O\n0.860333 0.365305 0.367946 O\n0.570163 0.785231 0.085161 O\n0.321625 0.846917 0.329789 O\n0.678375 0.153083 0.670211 O\n0.429837 0.214769 0.914839 O\n0.139667 0.634695 0.632054 O\n0.153083 0.678375 0.170211 O\n0.214769 0.429837 0.414839 O\n0.634695 0.139667 0.132054 O\n0.216305 0.994623 0.594715 O\n0.994623 0.216305 0.094715 O\n",
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"density": 6.7191619561656415,
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"volume": 332.7894133965114,
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"formula_full": "Dy2 Te6 O16",
"formula_reduced": "DyTe3O8",
"formula_anonymous": "AB3C8",
"energy": -155.27893292,
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"updated_at": "2021-11-28T01:38:12.868000Z",
"spacegroup": 15
},
{
"id": "mp-756896",
"created_at": "2022-09-04T14:48:01.537567Z",
"structure_string": "Li4 Mn1 V3 O8\n1.0\n5.099199 0.000000 0.000000\n-0.000051 5.724035 0.000000\n-0.008578 -0.096025 6.581571\nLi Mn V O\n4 1 3 8\ndirect\n0.008837 0.079737 0.376244 Li\n0.506019 0.409418 0.873048 Li\n0.010314 0.584717 0.121372 Li\n0.503409 0.922739 0.627432 Li\n0.502689 0.914439 0.125703 Mn\n0.998346 0.084232 0.875947 V\n0.510109 0.409936 0.368858 V\n0.008902 0.587700 0.628563 V\n0.623568 0.082327 0.873008 O\n0.607252 0.110749 0.385938 O\n0.110092 0.413224 0.861490 O\n0.142084 0.427596 0.383792 O\n0.623403 0.573207 0.603380 O\n0.608712 0.566722 0.146340 O\n0.110445 0.908869 0.631880 O\n0.099417 0.924387 0.117005 O\n",
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"density": 3.1422857766695866,
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"volume": 192.10285188347353,
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"formula_full": "Li4 Mn1 V3 O8",
"formula_reduced": "Li4MnV3O8",
"formula_anonymous": "AB3C4D8",
"energy": -120.8123065,
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{
"id": "mp-756894",
"created_at": "2022-09-04T14:39:19.338053Z",
"structure_string": "Li4 V4 O8\n1.0\n-0.001948 4.170533 4.234971\n4.167780 -4.286697 0.116279\n4.168386 4.287113 -0.120428\nLi V O\n4 4 8\ndirect\n0.249030 0.055453 0.055555 Li\n0.750977 0.944565 0.944448 Li\n0.500013 0.500008 0.999991 Li\n0.999995 0.000000 0.500005 Li\n0.499987 0.999986 0.500004 V\n0.500007 0.500006 0.500002 V\n0.000001 0.500009 0.999996 V\n0.999978 0.499963 0.500011 V\n0.506902 0.242557 0.252558 O\n0.997000 0.254572 0.243663 O\n0.002997 0.745418 0.756327 O\n0.493083 0.757445 0.747455 O\n0.533322 0.275059 0.711706 O\n0.963890 0.710656 0.276336 O\n0.466699 0.724952 0.288284 O\n0.036118 0.289350 0.723657 O\n",
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"elements": [
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"chemical_system": "Li-O-V",
"density": 3.8403245252706038,
"density_atomic": 0.10292229802306793,
"volume": 155.4570808010323,
"volume_molar": 5.8511526420156885,
"formula_full": "Li4 V4 O8",
"formula_reduced": "LiVO2",
"formula_anonymous": "ABC2",
"energy": -122.23888613,
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"updated_at": "2021-11-28T01:34:36.956000Z",
"spacegroup": 74
},
{
"id": "mp-756893",
"created_at": "2022-09-04T14:42:06.028682Z",
"structure_string": "Mn1 V4 Co1 O12\n1.0\n4.581212 5.076762 0.000000\n-4.581212 5.076762 0.000000\n0.000000 2.076800 5.505857\nMn V Co O\n1 4 1 12\ndirect\n0.085224 0.914776 0.000000 Mn\n0.794140 0.609391 0.516780 V\n0.612139 0.793768 0.013121 V\n0.390609 0.205860 0.483220 V\n0.206232 0.387861 0.986879 V\n0.911605 0.088395 0.500000 Co\n0.963231 0.801777 0.402267 O\n0.909130 0.377663 0.542396 O\n0.800626 0.964671 0.888669 O\n0.639984 0.643330 0.304969 O\n0.622337 0.090870 0.457604 O\n0.639063 0.635351 0.806065 O\n0.356670 0.360016 0.695031 O\n0.383084 0.912276 0.042653 O\n0.364649 0.360937 0.193935 O\n0.198223 0.036769 0.597733 O\n0.087724 0.616916 0.957347 O\n0.035329 0.199374 0.111331 O\n",
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"formula_full": "Mn1 V4 Co1 O12",
"formula_reduced": "MnV4CoO12",
"formula_anonymous": "ABC4D12",
"energy": -151.90233096000003,
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},
{
"id": "mp-756892",
"created_at": "2022-09-04T14:40:04.278817Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n3.595810 3.778768 0.000000\n-3.595810 3.778768 0.000000\n0.000000 0.384745 6.731367\nLi Co Si O\n3 2 2 8\ndirect\n0.896659 0.420282 0.049618 Li\n0.579718 0.103341 0.950382 Li\n0.138323 0.861677 0.000000 Li\n0.806397 0.193603 0.500000 Co\n0.200307 0.799693 0.500000 Co\n0.681406 0.668187 0.750162 Si\n0.331813 0.318594 0.249838 Si\n0.832499 0.807498 0.553241 O\n0.722154 0.354952 0.751735 O\n0.787815 0.775283 0.951276 O\n0.645048 0.277846 0.248265 O\n0.371910 0.762531 0.732843 O\n0.224717 0.212185 0.048724 O\n0.237469 0.628090 0.267157 O\n0.192502 0.167501 0.446759 O\n",
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"formula_full": "Li3 Co2 Si2 O8",
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{
"id": "mp-756891",
"created_at": "2022-09-04T14:42:09.517228Z",
"structure_string": "Li4 Nb3 Cr5 O16\n1.0\n2.987446 5.227181 0.000000\n-2.987446 5.227181 0.000000\n0.000000 0.060728 9.762743\nLi Nb Cr O\n4 3 5 16\ndirect\n0.667403 0.667403 0.897011 Li\n0.011118 0.011118 0.995431 Li\n0.005376 0.005376 0.494906 Li\n0.334008 0.334008 0.386455 Li\n0.831759 0.831759 0.211542 Nb\n0.644511 0.187312 0.711294 Nb\n0.187312 0.644511 0.711294 Nb\n0.831744 0.339839 0.214514 Cr\n0.666183 0.666183 0.480717 Cr\n0.339839 0.831744 0.214514 Cr\n0.166869 0.166869 0.713969 Cr\n0.328717 0.328717 0.989634 Cr\n0.829496 0.329251 0.601338 O\n0.521129 0.521129 0.338422 O\n0.669889 0.669889 0.103202 O\n0.000166 0.000166 0.312102 O\n0.003602 0.003602 0.812974 O\n0.329251 0.829496 0.601338 O\n0.960331 0.521849 0.340125 O\n0.521849 0.960331 0.340125 O\n0.162861 0.162861 0.101716 O\n0.832999 0.832999 0.599318 O\n0.480134 0.041894 0.840699 O\n0.041894 0.480134 0.840699 O\n0.320094 0.320094 0.588490 O\n0.669251 0.159231 0.103526 O\n0.483349 0.483349 0.858975 O\n0.159231 0.669251 0.103526 O\n",
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{
"id": "mp-756890",
"created_at": "2022-09-04T14:48:22.488830Z",
"structure_string": "Li2 V4 P10 O30\n1.0\n8.899186 0.000000 0.000000\n0.000000 5.361532 0.000000\n0.000000 4.834761 12.733886\nLi V P O\n2 4 10 30\ndirect\n0.993725 0.112402 0.456641 Li\n0.006275 0.112402 0.956641 Li\n0.304830 0.067376 0.057879 V\n0.304583 0.926853 0.445486 V\n0.695170 0.067376 0.557879 V\n0.695417 0.926853 0.945486 V\n0.815277 0.319952 0.086593 P\n0.511406 0.461087 0.143477 P\n0.037566 0.003036 0.250697 P\n0.512938 0.537188 0.357633 P\n0.819718 0.675087 0.413814 P\n0.184723 0.319952 0.586593 P\n0.488594 0.461087 0.643477 P\n0.962434 0.003036 0.750697 P\n0.487062 0.537188 0.857633 P\n0.180282 0.675087 0.913814 P\n0.827530 0.118098 0.033390 O\n0.842819 0.607563 0.023038 O\n0.515242 0.738448 0.059370 O\n0.649807 0.277057 0.136782 O\n0.126326 0.922138 0.174160 O\n0.373526 0.296420 0.152479 O\n0.919998 0.240105 0.189545 O\n0.553092 0.498672 0.250564 O\n0.924097 0.755503 0.311198 O\n0.377620 0.708432 0.347859 O\n0.111407 0.088679 0.333557 O\n0.654146 0.715041 0.364972 O\n0.515704 0.260427 0.441977 O\n0.848811 0.383195 0.473932 O\n0.829503 0.871844 0.469356 O\n0.172470 0.118098 0.533390 O\n0.157181 0.607563 0.523038 O\n0.484758 0.738448 0.559370 O\n0.350193 0.277057 0.636782 O\n0.873674 0.922138 0.674160 O\n0.626474 0.296420 0.652479 O\n0.080002 0.240105 0.689545 O\n0.446908 0.498672 0.750564 O\n0.075903 0.755503 0.811198 O\n0.622380 0.708432 0.847859 O\n0.888593 0.088679 0.833557 O\n0.345854 0.715041 0.864972 O\n0.484296 0.260427 0.941977 O\n0.151189 0.383195 0.973932 O\n0.170497 0.871844 0.969356 O\n",
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{
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"structure_string": "K4 Rb4 O4\n1.0\n-5.981709 5.981709 2.875161\n5.981709 -5.981709 2.875161\n5.981709 5.981709 -2.875161\nK Rb O\n4 4 4\ndirect\n0.164759 0.835241 0.000000 K\n0.164759 0.164759 0.329517 K\n0.835241 0.164759 0.000000 K\n0.835241 0.835241 0.670483 K\n0.500000 0.854297 0.354297 Rb\n0.145703 0.500000 0.645703 Rb\n0.854297 0.500000 0.354297 Rb\n0.500000 0.145703 0.645703 Rb\n0.000000 0.300021 0.300021 O\n0.000000 0.699979 0.699979 O\n0.300021 0.000000 0.300021 O\n0.699979 0.000000 0.699979 O\n",
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{
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"formula_full": "La4 Si6 O18",
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},
{
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"created_at": "2022-09-04T14:48:06.405530Z",
"structure_string": "Li5 Mn5 V2 O12\n1.0\n4.546821 2.618922 0.000000\n-4.546821 2.618922 0.000000\n0.000000 1.554487 9.837226\nLi Mn V O\n5 5 2 12\ndirect\n0.834444 0.661753 0.254311 Li\n0.676077 0.846783 0.745875 Li\n0.338247 0.165556 0.745689 Li\n0.153217 0.323923 0.254125 Li\n0.085387 0.914613 0.500000 Li\n0.921054 0.078946 0.000000 Mn\n0.001269 0.506058 0.747090 Mn\n0.493942 0.998731 0.252910 Mn\n0.576087 0.423913 0.000000 Mn\n0.424209 0.575791 0.500000 Mn\n0.751674 0.248326 0.500000 V\n0.248609 0.751391 0.000000 V\n0.034115 0.231630 0.625353 O\n0.768370 0.965885 0.374647 O\n0.893386 0.396987 0.116845 O\n0.603013 0.106614 0.883155 O\n0.724803 0.527856 0.622805 O\n0.472144 0.275197 0.377195 O\n0.528997 0.722487 0.128746 O\n0.277513 0.471003 0.871254 O\n0.420993 0.912812 0.611112 O\n0.087188 0.579007 0.388888 O\n0.217557 0.032293 0.130082 O\n0.967707 0.782443 0.869918 O\n",
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"density_atomic": 0.10244203002370374,
"volume": 234.27884037876558,
"volume_molar": 5.878583974377075,
"formula_full": "Li5 Mn5 V2 O12",
"formula_reduced": "Li5Mn5V2O12",
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"updated_at": "2021-11-28T01:38:28.073000Z",
"spacegroup": 5
},
{
"id": "mp-756886",
"created_at": "2022-09-04T14:40:08.178332Z",
"structure_string": "Eu6 Nb2 O14\n1.0\n3.736036 -5.419874 0.000000\n3.736036 5.419874 0.000000\n0.000000 0.000000 7.767715\nEu Nb O\n6 2 14\ndirect\n0.515208 0.048284 0.250000 Eu\n0.951716 0.484792 0.750000 Eu\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.484792 0.951716 0.750000 Eu\n0.048284 0.515208 0.250000 Eu\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.885669 0.150231 0.250000 O\n0.849769 0.114331 0.750000 O\n0.432311 0.177705 0.527690 O\n0.822295 0.567689 0.027690 O\n0.822295 0.567689 0.472310 O\n0.432311 0.177705 0.972310 O\n0.556816 0.556816 0.750000 O\n0.443184 0.443184 0.250000 O\n0.177705 0.432311 0.527690 O\n0.177705 0.432311 0.972310 O\n0.567689 0.822295 0.027690 O\n0.567689 0.822295 0.472310 O\n0.150231 0.885669 0.250000 O\n0.114331 0.849769 0.750000 O\n",
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"density": 6.976245915618881,
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"volume": 314.5745044380564,
"volume_molar": 8.61096338742373,
"formula_full": "Eu6 Nb2 O14",
"formula_reduced": "Eu3NbO7",
"formula_anonymous": "AB3C7",
"energy": -221.37028802000003,
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"updated_at": "2021-11-28T01:34:56.143000Z",
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}
]
}