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{
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{
"id": "mp-1196347",
"created_at": "2022-09-04T14:46:57.181139Z",
"structure_string": "Nd6 Ge26 Ru8\n1.0\n9.157584 0.000000 0.000000\n0.000000 9.157584 0.000000\n0.000000 0.000000 9.157584\nNd Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.794881 0.354327 0.500000 Ge\n0.645673 0.500000 0.794881 Ge\n0.500000 0.205119 0.645673 Ge\n0.205119 0.645673 0.500000 Ge\n0.354327 0.500000 0.205119 Ge\n0.500000 0.794881 0.354327 Ge\n0.794881 0.645673 0.500000 Ge\n0.645673 0.500000 0.205119 Ge\n0.205119 0.354327 0.500000 Ge\n0.354327 0.500000 0.794881 Ge\n0.500000 0.794881 0.645673 Ge\n0.500000 0.205119 0.354327 Ge\n0.294881 0.000000 0.854327 Ge\n0.145673 0.294881 0.000000 Ge\n0.000000 0.145673 0.705119 Ge\n0.705119 0.000000 0.145673 Ge\n0.854327 0.705119 0.000000 Ge\n0.000000 0.854327 0.294881 Ge\n0.294881 0.000000 0.145673 Ge\n0.145673 0.705119 0.000000 Ge\n0.705119 0.000000 0.854327 Ge\n0.854327 0.294881 0.000000 Ge\n0.000000 0.145673 0.294881 Ge\n0.000000 0.854327 0.705119 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Nd6 Ge26 Ru8",
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{
"id": "mp-1094061",
"created_at": "2022-09-04T14:46:57.183745Z",
"structure_string": "Sm1 Co12\n1.0\n-4.462265 4.462265 2.045683\n4.462265 -4.462265 2.045683\n4.462265 4.462265 -2.045683\nSm Co\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.267474 0.500000 0.767474 Co\n0.500000 0.267474 0.767474 Co\n0.732526 0.500000 0.232526 Co\n0.500000 0.732526 0.232526 Co\n0.214385 0.214385 0.428770 Co\n0.785615 0.214385 0.000000 Co\n0.785615 0.785615 0.571230 Co\n0.214385 0.785615 0.000000 Co\n0.373175 0.000000 0.373175 Co\n0.000000 0.373175 0.373175 Co\n0.626825 0.000000 0.626825 Co\n0.000000 0.626825 0.626825 Co\n",
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"formula_full": "Sm1 Co12",
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},
{
"id": "mp-762529",
"created_at": "2022-09-04T14:46:57.184333Z",
"structure_string": "Li2 Fe5 O10\n1.0\n5.158348 -0.042521 0.045794\n-0.969666 5.048693 -0.034528\n-1.552410 -2.876040 7.152201\nLi Fe O\n2 5 10\ndirect\n0.235134 0.934163 0.425450 Li\n0.764866 0.065837 0.574550 Li\n0.114455 0.698182 0.689638 Fe\n0.000000 0.500000 0.000000 Fe\n0.687997 0.876639 0.886906 Fe\n0.312003 0.123361 0.113094 Fe\n0.885545 0.301818 0.310362 Fe\n0.034103 0.102257 0.864246 O\n0.088623 0.290450 0.518860 O\n0.324813 0.718811 0.930002 O\n0.193742 0.472693 0.226869 O\n0.447004 0.890064 0.671457 O\n0.552996 0.109936 0.328543 O\n0.806258 0.527307 0.773131 O\n0.675187 0.281189 0.069998 O\n0.911378 0.709550 0.481140 O\n0.965897 0.897743 0.135754 O\n",
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"elements": [
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"density": 4.046393155486004,
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"volume": 185.94137611058665,
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"formula_full": "Li2 Fe5 O10",
"formula_reduced": "Li2(FeO2)5",
"formula_anonymous": "A2B5C10",
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{
"id": "mp-779664",
"created_at": "2022-09-04T14:46:57.191245Z",
"structure_string": "Ag2 Ge2 O6\n1.0\n5.158414 -0.018189 -0.017315\n-0.032722 9.308594 0.003504\n-0.010677 0.001222 3.170365\nAg Ge O\n2 2 6\ndirect\n0.998954 0.001717 0.991832 Ag\n0.992231 0.502236 0.984290 Ag\n0.404750 0.752175 0.489163 Ge\n0.588368 0.250163 0.482193 Ge\n0.209519 0.594595 0.486721 O\n0.217492 0.911435 0.493264 O\n0.408559 0.247762 0.980075 O\n0.585460 0.751885 0.991049 O\n0.770498 0.412574 0.481429 O\n0.782749 0.093696 0.488958 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.985150397663503,
"density_atomic": 0.0656902332163876,
"volume": 152.22963156576708,
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"formula_full": "Ag2 Ge2 O6",
"formula_reduced": "AgGeO3",
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"spacegroup": 26
},
{
"id": "mp-1175861",
"created_at": "2022-09-04T14:46:57.193188Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.835611 0.000000 0.000000\n-2.865947 -5.908946 0.000000\n-2.893593 0.168395 -8.234461\nLi Mn Co O\n9 2 5 16\ndirect\n0.750357 0.746760 0.260330 Li\n0.247946 0.996025 0.501077 Li\n0.257548 0.746411 0.257942 Li\n0.756234 0.008474 0.502432 Li\n0.749512 0.252038 0.742358 Li\n0.244451 0.254308 0.741808 Li\n0.248313 0.506000 0.001938 Li\n0.749722 0.497641 0.995582 Li\n0.997815 0.498860 0.500778 Li\n0.998858 0.998597 0.998163 Mn\n0.507354 0.252256 0.251774 Mn\n0.483069 0.740841 0.739934 Co\n0.498460 0.998955 0.001210 Co\n0.001194 0.252526 0.253673 Co\n0.499872 0.498407 0.501945 Co\n0.997777 0.742532 0.738415 Co\n0.134850 0.022672 0.237578 O\n0.610379 0.256790 0.481681 O\n0.605621 0.010970 0.237704 O\n0.126892 0.260274 0.479433 O\n0.139293 0.515197 0.762284 O\n0.625999 0.502356 0.746841 O\n0.644242 0.780973 0.997767 O\n0.137486 0.779826 0.996231 O\n0.387971 0.487152 0.248141 O\n0.869782 0.750908 0.510338 O\n0.852211 0.469631 0.244035 O\n0.389687 0.746351 0.510707 O\n0.376980 0.988196 0.765468 O\n0.880389 0.993779 0.767365 O\n0.863645 0.220342 0.015079 O\n0.366093 0.223952 0.009992 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1018066",
"created_at": "2022-09-04T14:46:57.203877Z",
"structure_string": "Cr1 Sn1 Rh2\n1.0\n-2.053977 2.053977 3.653248\n2.053977 -2.053977 3.653248\n2.053977 2.053977 -3.653248\nCr Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Sn\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"spacegroup": 139
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{
"id": "mp-1317444",
"created_at": "2022-09-04T14:46:57.204207Z",
"structure_string": "Li6 Mn4 Sn2 O12\n1.0\n-3.493624 -4.252153 -2.598143\n6.273907 -1.471650 -2.687811\n0.010398 -3.222291 5.250622\nLi Mn Sn O\n6 4 2 12\ndirect\n0.833241 0.332992 0.833210 Li\n0.833044 0.332865 0.333068 Li\n0.521154 0.997800 0.999552 Li\n0.508471 0.001368 0.497423 Li\n0.158399 0.665534 0.169428 Li\n0.146319 0.669318 0.668233 Li\n0.988456 0.988952 0.002574 Mn\n0.678281 0.677366 0.663529 Mn\n0.985490 0.996180 0.500405 Mn\n0.681301 0.670393 0.166075 Mn\n0.333198 0.333370 0.833352 Sn\n0.333117 0.333434 0.333411 Sn\n0.231322 0.016511 0.734312 O\n0.232921 0.022611 0.280653 O\n0.435281 0.650254 0.932259 O\n0.433681 0.644266 0.385991 O\n0.903575 0.663618 0.934737 O\n0.905872 0.663015 0.393137 O\n0.760948 0.003819 0.273430 O\n0.763135 0.002937 0.731693 O\n0.563304 0.309046 0.076264 O\n0.569099 0.334630 0.584585 O\n0.097244 0.331951 0.082103 O\n0.103146 0.357773 0.590579 O\n",
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"formula_full": "Li6 Mn4 Sn2 O12",
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},
{
"id": "mp-1101524",
"created_at": "2022-09-04T14:46:57.207988Z",
"structure_string": "Li4 Fe8 P12 O48\n1.0\n8.681988 0.000000 0.000000\n0.000000 8.645064 0.000000\n0.000000 0.030171 12.300192\nLi Fe P O\n4 8 12 48\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.498045 0.784577 0.854082 Fe\n0.001667 0.284414 0.358290 Fe\n0.998333 0.284414 0.858290 Fe\n0.001667 0.715586 0.141710 Fe\n0.501955 0.215423 0.145918 Fe\n0.498045 0.215423 0.645918 Fe\n0.501955 0.784577 0.354082 Fe\n0.998333 0.715586 0.641710 Fe\n0.203698 0.000000 0.750000 P\n0.796302 0.000000 0.250000 P\n0.854760 0.352106 0.603609 P\n0.291481 0.500000 0.750000 P\n0.642710 0.848556 0.605323 P\n0.357290 0.848556 0.105323 P\n0.145240 0.352106 0.103609 P\n0.145240 0.647894 0.396391 P\n0.708519 0.500000 0.250000 P\n0.357290 0.151444 0.394677 P\n0.642710 0.151444 0.894677 P\n0.854760 0.647894 0.896391 P\n0.820676 0.855311 0.589738 O\n0.302317 0.124530 0.694436 O\n0.808052 0.618027 0.188071 O\n0.094068 0.716141 0.287019 O\n0.069796 0.249048 0.014744 O\n0.179324 0.144689 0.410262 O\n0.397302 0.572573 0.838109 O\n0.423142 0.250989 0.489297 O\n0.179324 0.855311 0.089738 O\n0.302317 0.875470 0.805564 O\n0.901447 0.070406 0.339714 O\n0.584510 0.015757 0.603638 O\n0.677120 0.655134 0.913600 O\n0.098553 0.070406 0.839714 O\n0.415490 0.015757 0.103638 O\n0.820676 0.144689 0.910262 O\n0.322880 0.655134 0.413600 O\n0.905932 0.283859 0.712981 O\n0.584510 0.984243 0.896362 O\n0.415490 0.984243 0.396362 O\n0.405698 0.764084 0.210161 O\n0.103023 0.475910 0.407164 O\n0.677120 0.344866 0.586400 O\n0.896977 0.524090 0.592836 O\n0.602698 0.572573 0.338109 O\n0.576858 0.749011 0.510703 O\n0.069796 0.750952 0.485256 O\n0.930204 0.249048 0.514744 O\n0.094068 0.283859 0.212981 O\n0.322880 0.344866 0.086400 O\n0.697683 0.875470 0.305564 O\n0.405698 0.235916 0.289839 O\n0.594302 0.235916 0.789839 O\n0.098553 0.929594 0.660286 O\n0.423142 0.749011 0.010703 O\n0.103023 0.524090 0.092836 O\n0.930204 0.750952 0.985256 O\n0.905932 0.716141 0.787019 O\n0.896977 0.475910 0.907164 O\n0.576858 0.250989 0.989297 O\n0.602698 0.427427 0.161891 O\n0.397302 0.427427 0.661891 O\n0.594302 0.764084 0.710161 O\n0.697683 0.124530 0.194436 O\n0.808052 0.381973 0.311929 O\n0.191948 0.618027 0.688071 O\n0.191948 0.381973 0.811929 O\n0.901447 0.929594 0.160286 O\n",
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