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{
"id": "mp-1208090",
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{
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},
{
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{
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"formula_full": "Fe8 Mo4",
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{
"id": "mp-1102024",
"created_at": "2022-09-04T14:44:00.126284Z",
"structure_string": "Yb4 Mn8\n1.0\n2.756364 -4.774162 0.000000\n2.756364 4.774162 0.000000\n0.000000 0.000000 8.893516\nYb Mn\n4 8\ndirect\n0.333333 0.666667 0.437505 Yb\n0.666667 0.333333 0.562495 Yb\n0.666667 0.333333 0.937505 Yb\n0.333333 0.666667 0.062495 Yb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.843927 0.156073 0.250000 Mn\n0.843927 0.687853 0.250000 Mn\n0.312147 0.156073 0.250000 Mn\n0.156073 0.843927 0.750000 Mn\n0.156073 0.312147 0.750000 Mn\n0.687853 0.843927 0.750000 Mn\n",
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{
"id": "mp-1097441",
"created_at": "2022-09-04T14:44:00.143731Z",
"structure_string": "Mg1 In1 Hg2\n1.0\n-6.008806 6.324508 8.499362\n6.008806 -6.324508 8.499362\n6.008806 6.324508 -8.499362\nMg In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n0.245169 0.000000 0.245169 Hg\n0.754831 0.000000 0.754831 Hg\n",
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},
{
"id": "mp-758089",
"created_at": "2022-09-04T14:44:00.153233Z",
"structure_string": "Li4 Ti6 O12\n1.0\n0.000000 4.322874 8.559895\n2.854101 0.000000 8.559895\n2.854101 4.322874 0.000000\nLi Ti O\n4 6 12\ndirect\n0.830999 0.830999 0.169001 Li\n0.080999 0.080999 0.419001 Li\n0.169001 0.169001 0.830999 Li\n0.419001 0.419001 0.080999 Li\n0.250000 0.250000 0.250000 Ti\n0.335103 0.335103 0.664897 Ti\n0.664897 0.664897 0.335103 Ti\n0.585103 0.585103 0.914897 Ti\n0.000000 0.000000 0.000000 Ti\n0.914897 0.914897 0.585103 Ti\n0.101034 0.570514 0.417171 O\n0.570514 0.101034 0.911281 O\n0.486378 0.013622 0.486378 O\n0.911281 0.417171 0.570514 O\n0.013622 0.486378 0.013622 O\n0.338719 0.832829 0.679486 O\n0.763622 0.236378 0.763622 O\n0.417171 0.911281 0.101034 O\n0.832829 0.338719 0.148966 O\n0.148966 0.679486 0.832829 O\n0.236378 0.763622 0.236378 O\n0.679486 0.148966 0.338719 O\n",
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{
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"structure_string": "Rb2 Mn1 F5\n1.0\n6.184415 0.000000 0.000000\n0.000000 6.184415 0.000000\n0.000000 0.000000 4.220243\nRb Mn F\n2 1 5\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 F\n0.782425 0.782425 0.000000 F\n0.782425 0.217575 0.000000 F\n0.217575 0.217575 0.000000 F\n0.217575 0.782425 0.000000 F\n",
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{
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"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.232539062451728,
"density_atomic": 0.09063932343663542,
"volume": 485.44051667331496,
"volume_molar": 6.644070731849612,
"formula_full": "Li4 Fe8 B8 O24",
"formula_reduced": "LiFe2(BO3)2",
"formula_anonymous": "AB2C2D6",
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"energy_per_atom": -5.290566077727273,
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"updated_at": "2021-11-28T01:36:10.160000Z",
"spacegroup": 1
},
{
"id": "mp-728013",
"created_at": "2022-09-04T14:43:58.372812Z",
"structure_string": "Na8 Zr4 Ge10 O34\n1.0\n5.536982 0.000000 0.000000\n0.000000 7.193126 0.000000\n0.000000 6.278833 20.529516\nNa Zr Ge O\n8 4 10 34\ndirect\n0.992989 0.249759 0.288420 Na\n0.992989 0.750241 0.211580 Na\n0.007011 0.750241 0.711580 Na\n0.007011 0.249759 0.788420 Na\n0.760240 0.384920 0.473651 Na\n0.760240 0.615080 0.026349 Na\n0.239760 0.615080 0.526349 Na\n0.239760 0.384920 0.973651 Na\n0.765635 0.884874 0.410735 Zr\n0.765635 0.115126 0.089265 Zr\n0.234365 0.115126 0.589265 Zr\n0.234365 0.884874 0.910735 Zr\n0.286217 0.192233 0.421478 Ge\n0.286217 0.807767 0.078522 Ge\n0.713783 0.807767 0.578522 Ge\n0.713783 0.192233 0.921478 Ge\n0.257895 0.352252 0.135064 Ge\n0.257895 0.647748 0.364936 Ge\n0.742105 0.647748 0.864936 Ge\n0.742105 0.352252 0.635064 Ge\n0.491319 0.000000 0.250000 Ge\n0.508681 0.000000 0.750000 Ge\n0.090452 0.041967 0.393697 O\n0.090452 0.958033 0.106303 O\n0.909548 0.958033 0.606303 O\n0.909548 0.041967 0.893697 O\n0.587981 0.115555 0.435830 O\n0.587981 0.884445 0.064170 O\n0.412019 0.884445 0.564170 O\n0.412019 0.115555 0.935830 O\n0.668690 0.027847 0.313488 O\n0.668690 0.972153 0.186512 O\n0.331310 0.972153 0.686512 O\n0.331310 0.027847 0.813488 O\n0.168887 0.253753 0.489279 O\n0.168887 0.746247 0.010721 O\n0.831113 0.746247 0.510721 O\n0.831113 0.253753 0.989279 O\n0.959732 0.343923 0.109597 O\n0.959732 0.656077 0.390403 O\n0.040268 0.656077 0.890403 O\n0.040268 0.343923 0.609597 O\n0.467103 0.311379 0.079356 O\n0.467103 0.688621 0.420644 O\n0.532897 0.688621 0.920644 O\n0.532897 0.311379 0.579356 O\n0.292204 0.411755 0.352643 O\n0.292204 0.588245 0.147357 O\n0.707796 0.588245 0.647357 O\n0.707796 0.411755 0.852643 O\n0.286588 0.199432 0.217752 O\n0.286588 0.800568 0.282248 O\n0.713412 0.800568 0.782248 O\n0.713412 0.199432 0.717752 O\n0.694444 0.500000 0.250000 O\n0.305556 0.500000 0.750000 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O-Zr",
"density": 3.6945246085151853,
"density_atomic": 0.0684886391357349,
"volume": 817.6538577298321,
"volume_molar": 8.792904686082254,
"formula_full": "Na8 Zr4 Ge10 O34",
"formula_reduced": "Na4Zr2Ge5O17",
"formula_anonymous": "A2B4C5D17",
"energy": -391.23828332,
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"energy_uncorrected": -367.88028332,
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"updated_at": "2021-11-28T01:36:08.231000Z",
"spacegroup": 13
}
]
}