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{
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{
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"structure_string": "Zn2 H26 Ru2 N10 Cl8 O4\n1.0\n8.131494 0.000000 0.000000\n-4.065747 8.247821 0.000000\n0.000000 0.000000 9.640912\nZn H Ru N Cl O\n2 26 2 10 8 4\ndirect\n0.889024 0.778047 0.920290 Zn\n0.110976 0.221953 0.420290 Zn\n0.466158 0.932316 0.906349 H\n0.533842 0.067684 0.406349 H\n0.865577 0.165807 0.673015 H\n0.300230 0.165807 0.673015 H\n0.134423 0.834193 0.173015 H\n0.699770 0.834193 0.173015 H\n0.739889 0.002280 0.764377 H\n0.262391 0.002280 0.764377 H\n0.260111 0.997720 0.264377 H\n0.737609 0.997720 0.264377 H\n0.660490 0.033233 0.614495 H\n0.372743 0.033233 0.614495 H\n0.339510 0.966767 0.114495 H\n0.627257 0.966767 0.114495 H\n0.949901 0.429231 0.897752 H\n0.479330 0.429231 0.897752 H\n0.050099 0.570769 0.397752 H\n0.520670 0.570769 0.397752 H\n0.827231 0.351275 0.037874 H\n0.524045 0.351275 0.037874 H\n0.172769 0.648725 0.537874 H\n0.475955 0.648725 0.537874 H\n0.907705 0.242637 0.949666 H\n0.334932 0.242637 0.949666 H\n0.092295 0.757363 0.449666 H\n0.665068 0.757363 0.449666 H\n0.609536 0.219071 0.812045 Ru\n0.390464 0.780929 0.312045 Ru\n0.686886 0.373771 0.686323 N\n0.313114 0.626229 0.186323 N\n0.732670 0.090484 0.702486 N\n0.357814 0.090484 0.702486 N\n0.267330 0.909516 0.202486 N\n0.642186 0.909516 0.202486 N\n0.851461 0.323108 0.939315 N\n0.471647 0.323108 0.939315 N\n0.148539 0.676892 0.439315 N\n0.528353 0.676892 0.439315 N\n0.612496 0.707892 0.817175 Cl\n0.095396 0.707892 0.817175 Cl\n0.387504 0.292108 0.317175 Cl\n0.904604 0.292108 0.317175 Cl\n0.026878 0.053755 0.960795 Cl\n0.973122 0.946245 0.460795 Cl\n0.825391 0.650782 0.134273 Cl\n0.174609 0.349218 0.634273 Cl\n0.732534 0.465069 0.593684 O\n0.267466 0.534931 0.093684 O\n0.519639 0.039279 0.950452 O\n0.480361 0.960721 0.450452 O\n",
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"formula_full": "Zn2 H26 Ru2 N10 Cl8 O4",
"formula_reduced": "ZnH13RuN5(Cl2O)2",
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"updated_at": "2021-11-28T01:35:37.941000Z",
"spacegroup": 36
},
{
"id": "mp-2341",
"created_at": "2022-09-04T14:41:53.936525Z",
"structure_string": "Li6 N2\n1.0\n1.782263 -3.086970 0.000000\n1.782263 3.086970 0.000000\n0.000000 0.000000 6.348980\nLi N\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666667 0.576653 Li\n0.666667 0.333333 0.076653 Li\n0.666667 0.333333 0.423347 Li\n0.333333 0.666667 0.923347 Li\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Li-N",
"density": 1.6557344008236294,
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"volume": 69.86153998997425,
"volume_molar": 5.258950344124924,
"formula_full": "Li6 N2",
"formula_reduced": "Li3N",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:27.819000Z",
"spacegroup": 194
},
{
"id": "mp-5026",
"created_at": "2022-09-04T14:41:53.946188Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.380032 0.000000 0.000000\n0.000000 8.858710 0.000000\n0.000000 0.000000 9.366081\nMg Si O\n8 8 24\ndirect\n0.250000 0.901753 0.000000 Mg\n0.750000 0.598247 0.500000 Mg\n0.750000 0.098247 0.000000 Mg\n0.250000 0.401753 0.500000 Mg\n0.750000 0.738124 0.000000 Mg\n0.250000 0.761876 0.500000 Mg\n0.250000 0.261876 0.000000 Mg\n0.750000 0.238124 0.500000 Mg\n0.935597 0.909334 0.292040 Si\n0.435597 0.590666 0.207960 Si\n0.564403 0.909334 0.707960 Si\n0.064403 0.590666 0.792040 Si\n0.064403 0.090666 0.707960 Si\n0.564403 0.409334 0.792040 Si\n0.435597 0.090666 0.292040 Si\n0.935597 0.409334 0.207960 Si\n0.712368 0.525175 0.151491 O\n0.212368 0.974825 0.348509 O\n0.787632 0.525175 0.848509 O\n0.287632 0.974825 0.651491 O\n0.287632 0.474825 0.848509 O\n0.787632 0.025175 0.651491 O\n0.212368 0.474825 0.151491 O\n0.712368 0.025175 0.348509 O\n0.931939 0.252367 0.121880 O\n0.431939 0.247633 0.378120 O\n0.568061 0.252367 0.878120 O\n0.068061 0.247633 0.621880 O\n0.068061 0.747633 0.878120 O\n0.568061 0.752367 0.621880 O\n0.431939 0.747633 0.121880 O\n0.931939 0.752367 0.378120 O\n0.922923 0.906133 0.117998 O\n0.422923 0.593867 0.382002 O\n0.577077 0.906133 0.882002 O\n0.077077 0.593867 0.617998 O\n0.077077 0.093867 0.882002 O\n0.577077 0.406133 0.617998 O\n0.422923 0.093867 0.117998 O\n0.922923 0.406133 0.382002 O\n",
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"formula_full": "Mg8 Si8 O24",
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}
]
}