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{
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{
"id": "mp-756773",
"created_at": "2022-09-04T14:41:32.595162Z",
"structure_string": "Li2 Co4 O8\n1.0\n5.022659 -2.856752 0.000000\n5.022659 2.856752 0.000000\n3.397815 0.000000 4.673648\nLi Co O\n2 4 8\ndirect\n0.878603 0.878603 0.878603 Li\n0.499977 0.499977 0.499977 Li\n0.501404 0.994330 0.501404 Co\n0.994330 0.501404 0.501404 Co\n0.501404 0.501404 0.994330 Co\n0.121351 0.121351 0.121351 Co\n0.736873 0.736873 0.736873 O\n0.750068 0.750068 0.293416 O\n0.293416 0.750068 0.750068 O\n0.750068 0.293416 0.750068 O\n0.251119 0.709795 0.251119 O\n0.709795 0.251119 0.251119 O\n0.251119 0.251119 0.709795 O\n0.260475 0.260475 0.260475 O\n",
"nsites": 14,
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{
"id": "mp-1002568",
"created_at": "2022-09-04T14:41:32.606844Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n4.467299 -2.565619 1.721421\n1.483420 2.582863 -5.213456\n2.958866 5.170100 0.001499\nMg Mn O\n2 4 8\ndirect\n0.999917 0.500057 0.999987 Mg\n0.999993 0.499823 0.500100 Mg\n0.999901 0.000025 0.499299 Mn\n0.999950 0.000034 0.000665 Mn\n0.500055 0.000074 0.249910 Mn\n0.500093 0.000078 0.749913 Mn\n0.199019 0.211179 0.144719 O\n0.199799 0.209158 0.645711 O\n0.800246 0.790859 0.854323 O\n0.801020 0.788853 0.355314 O\n0.786579 0.235469 0.382149 O\n0.786591 0.235453 0.881948 O\n0.213400 0.764460 0.618092 O\n0.213409 0.764442 0.117889 O\n",
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"elements": [
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],
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"density": 4.112036503035952,
"density_atomic": 0.08746795050501557,
"volume": 160.05862626445344,
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"formula_full": "Mg2 Mn4 O8",
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"updated_at": "2021-11-28T01:35:22.434000Z",
"spacegroup": 10
},
{
"id": "mp-1182707",
"created_at": "2022-09-04T14:41:32.609181Z",
"structure_string": "Fe16 H20 O34\n1.0\n6.155350 0.000000 0.000000\n-0.109352 10.349711 0.000000\n-0.095682 -0.756919 10.719349\nFe H O\n16 20 34\ndirect\n0.010811 0.323999 0.909955 Fe\n0.991872 0.169254 0.390121 Fe\n0.251021 0.837665 0.420415 Fe\n0.228775 0.701276 0.913785 Fe\n0.000700 0.670920 0.200672 Fe\n0.008062 0.856522 0.714720 Fe\n0.244685 0.175418 0.682152 Fe\n0.244650 0.352310 0.196468 Fe\n0.496352 0.329230 0.906213 Fe\n0.490136 0.154240 0.386867 Fe\n0.739620 0.841038 0.413857 Fe\n0.750456 0.841937 0.022988 Fe\n0.482576 0.678409 0.193866 Fe\n0.510031 0.854293 0.719729 Fe\n0.757445 0.169105 0.678083 Fe\n0.742514 0.338357 0.195630 Fe\n0.984257 0.391078 0.662917 H\n0.989725 0.438086 0.391531 H\n0.161050 0.899444 0.140258 H\n0.979329 0.661818 0.485055 H\n0.997159 0.997844 0.525587 H\n0.877895 0.680242 0.801476 H\n0.259684 0.497968 0.017927 H\n0.189813 0.090747 0.184563 H\n0.525758 0.370992 0.640337 H\n0.495388 0.013854 0.570090 H\n0.492493 0.421936 0.398395 H\n0.745644 0.526267 0.075793 H\n0.506398 0.649047 0.472230 H\n0.731331 0.122384 0.931104 H\n0.820819 0.525007 0.864668 H\n0.711244 0.090420 0.173700 H\n0.495115 0.030935 0.040274 H\n0.164712 0.952180 0.001814 H\n0.514469 0.560245 0.790803 H\n0.316316 0.600077 0.705116 H\n0.994546 0.315163 0.710730 O\n0.000790 0.048651 0.671354 O\n0.991294 0.362648 0.332489 O\n0.993445 0.311565 0.087216 O\n0.238717 0.802019 0.236650 O\n0.244970 0.541848 0.181184 O\n0.259386 0.868746 0.843570 O\n0.256993 0.814781 0.598844 O\n0.988817 0.697019 0.403316 O\n0.996563 0.972938 0.431169 O\n0.016716 0.651064 0.764536 O\n0.984721 0.709256 0.023594 O\n0.254785 0.208957 0.866798 O\n0.256437 0.474674 0.925311 O\n0.230425 0.155648 0.255543 O\n0.246516 0.202426 0.501186 O\n0.508906 0.312692 0.706555 O\n0.498659 0.044392 0.663571 O\n0.494040 0.354611 0.331056 O\n0.492692 0.314344 0.084823 O\n0.746861 0.798895 0.223002 O\n0.740653 0.536716 0.169226 O\n0.757260 0.856130 0.839503 O\n0.749260 0.819204 0.595286 O\n0.498117 0.695634 0.396923 O\n0.495373 0.968450 0.422998 O\n0.492724 0.720964 0.018885 O\n0.746280 0.194828 0.873734 O\n0.759902 0.455758 0.911736 O\n0.737832 0.151799 0.255828 O\n0.743297 0.201850 0.501198 O\n0.651411 0.022506 0.052983 O\n0.097131 0.967144 0.084937 O\n0.460422 0.627127 0.738274 O\n",
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"density": 3.544504000534449,
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"volume": 682.8878507663359,
"volume_molar": 5.874923943726784,
"formula_full": "Fe16 H20 O34",
"formula_reduced": "Fe8H10O17",
"formula_anonymous": "A8B10C17",
"energy": -470.58144421,
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"updated_at": "2021-11-28T01:35:28.170000Z",
"spacegroup": 1
},
{
"id": "mp-1177211",
"created_at": "2022-09-04T14:41:32.629069Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.767479 0.000000 0.000000\n-4.862144 8.505473 0.000000\n-0.018272 -0.052565 14.136632\nLi V P O\n8 6 16 58\ndirect\n0.095865 0.323015 0.445522 Li\n0.693620 0.775990 0.444160 Li\n0.687561 0.916354 0.938186 Li\n0.096228 0.771253 0.935155 Li\n0.772941 0.092435 0.563227 Li\n0.223365 0.913376 0.444941 Li\n0.315276 0.093021 0.053386 Li\n0.770628 0.681125 0.055047 Li\n0.568931 0.000367 0.750887 V\n0.431899 0.000312 0.248485 V\n0.998559 0.431091 0.246509 V\n0.995124 0.562406 0.747604 V\n0.428006 0.431034 0.750873 V\n0.561221 0.562946 0.251998 V\n0.228169 0.313900 0.157602 P\n0.086910 0.316101 0.660667 P\n0.680813 0.767148 0.657471 P\n0.334640 0.668127 0.871736 P\n0.329929 0.665250 0.370751 P\n0.679939 0.909293 0.158868 P\n0.769736 0.089800 0.339940 P\n0.084879 0.766970 0.155961 P\n0.917395 0.230880 0.844813 P\n0.229771 0.908549 0.659657 P\n0.319453 0.089958 0.838908 P\n0.664445 0.332448 0.629384 P\n0.666038 0.336039 0.130093 P\n0.313327 0.228438 0.341952 P\n0.913447 0.683599 0.339264 P\n0.768071 0.680730 0.839805 P\n0.233529 0.239750 0.427765 O\n0.254924 0.339680 0.664693 O\n0.006351 0.238139 0.930047 O\n0.085857 0.341945 0.165582 O\n0.381269 0.475499 0.178567 O\n0.334740 0.519958 0.824392 O\n0.521454 0.617230 0.678087 O\n0.760566 0.760916 0.928995 O\n0.660252 0.740999 0.165197 O\n0.183097 0.512813 0.328173 O\n0.096959 0.478244 0.677731 O\n0.484279 0.668797 0.327113 O\n0.336183 0.666661 0.977040 O\n0.335347 0.655878 0.475520 O\n0.488717 0.814006 0.832704 O\n0.097652 0.617714 0.177365 O\n0.183669 0.669050 0.832277 O\n0.663685 0.916647 0.661580 O\n0.789736 0.998986 0.249370 O\n0.763674 0.003949 0.429131 O\n0.751140 0.985539 0.068017 O\n0.518664 0.900541 0.179213 O\n0.325768 0.812114 0.332903 O\n0.746963 0.085991 0.839517 O\n0.380990 0.899614 0.678102 O\n0.083982 0.740892 0.671546 O\n0.994175 0.205686 0.747223 O\n0.001784 0.243897 0.569619 O\n0.006309 0.772585 0.422550 O\n0.921123 0.255496 0.337047 O\n0.623759 0.105203 0.321636 O\n0.249020 0.916031 0.158413 O\n0.672252 0.185455 0.666493 O\n0.480522 0.101358 0.824682 O\n0.239086 0.002361 0.927720 O\n0.230016 0.983890 0.569087 O\n0.209627 0.000993 0.748943 O\n0.337246 0.083203 0.338168 O\n0.814493 0.334669 0.176091 O\n0.907922 0.382701 0.822176 O\n0.513359 0.186697 0.165481 O\n0.676186 0.351070 0.025628 O\n0.672213 0.341718 0.524639 O\n0.520193 0.336359 0.675470 O\n0.907192 0.523842 0.322000 O\n0.815328 0.481441 0.676350 O\n0.339193 0.256771 0.834089 O\n0.208654 0.207534 0.249086 O\n0.239522 0.235987 0.071234 O\n0.475804 0.380047 0.322383 O\n0.669941 0.487796 0.174662 O\n0.617197 0.521463 0.824045 O\n0.916115 0.660914 0.840506 O\n0.998490 0.751142 0.065166 O\n0.988527 0.783829 0.242710 O\n0.743068 0.659603 0.338813 O\n0.755279 0.759719 0.567682 O\n0.790567 0.787913 0.748945 O\n",
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"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
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{
"id": "mp-1216518",
"created_at": "2022-09-04T14:41:32.635184Z",
"structure_string": "V3 Mo1 O6\n1.0\n4.994570 -2.616512 0.000000\n4.994570 2.616512 0.000000\n3.623855 0.000000 4.319669\nV Mo O\n3 1 6\ndirect\n0.350412 0.350412 0.350412 V\n0.149281 0.149281 0.149281 V\n0.650654 0.650654 0.650654 V\n0.850796 0.850796 0.850796 Mo\n0.752940 0.434308 0.056142 O\n0.434308 0.056142 0.752940 O\n0.056142 0.752940 0.434308 O\n0.540217 0.948196 0.267053 O\n0.948196 0.267053 0.540217 O\n0.267053 0.540217 0.948196 O\n",
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"formula_full": "V3 Mo1 O6",
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{
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"structure_string": "Zr1 Cu1\n1.0\n3.273333 0.000000 0.000000\n0.000000 3.273333 0.000000\n0.000000 0.000000 3.273333\nZr Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cu\n",
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},
{
"id": "mp-754809",
"created_at": "2022-09-04T14:41:32.649908Z",
"structure_string": "Mn2 Nb2 O8\n1.0\n1.453727 -2.324390 2.741549\n-1.453697 2.324392 2.741536\n-8.781170 -5.492086 -0.000049\nMn Nb O\n2 2 8\ndirect\n0.999946 0.499987 0.249986 Mn\n0.500051 0.000009 0.750015 Mn\n0.999991 0.999995 0.999938 Nb\n0.500006 0.499994 0.500061 Nb\n0.499998 0.999998 0.963408 O\n0.999997 0.499997 0.463572 O\n0.499998 0.999995 0.536586 O\n0.999999 0.499996 0.036435 O\n0.999966 0.000006 0.800351 O\n0.500041 0.500000 0.300452 O\n0.000019 0.000013 0.199564 O\n0.499988 0.500010 0.699632 O\n",
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"volume": 155.6910133506794,
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"formula_full": "Mn2 Nb2 O8",
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{
"id": "mp-27334",
"created_at": "2022-09-04T14:41:32.616551Z",
"structure_string": "Tl6 Fe2 Cl10\n1.0\n-4.267243 4.267243 7.461042\n4.267243 -4.267243 7.461042\n4.267243 4.267243 -7.461042\nTl Fe Cl\n6 2 10\ndirect\n0.250000 0.250000 0.000000 Tl\n0.750000 0.750000 0.000000 Tl\n0.335455 0.835455 0.170910 Tl\n0.835455 0.664545 0.500000 Tl\n0.164545 0.335455 0.500000 Tl\n0.664545 0.164545 0.829090 Tl\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.005754 0.505754 0.201703 Cl\n0.695949 0.195949 0.201703 Cl\n0.994246 0.494246 0.798297 Cl\n0.494246 0.695949 0.500000 Cl\n0.195949 0.994246 0.500000 Cl\n0.505754 0.304051 0.500000 Cl\n0.304051 0.804051 0.798297 Cl\n0.804051 0.005754 0.500000 Cl\n",
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"elements": [
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{
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