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"structure_string": "Ca4 Sb6 O16\n1.0\n3.380397 -5.855020 0.000000\n3.380397 5.855020 0.000000\n-0.000000 -0.000000 10.107624\nCa Sb O\n4 6 16\ndirect\n0.666667 0.333333 0.968631 Ca\n0.333333 0.666667 0.468631 Ca\n0.666667 0.333333 0.607122 Ca\n0.333333 0.666667 0.107122 Ca\n0.165160 0.330320 0.755715 Sb\n0.834841 0.165160 0.255715 Sb\n0.330320 0.165160 0.255715 Sb\n0.834841 0.669681 0.255715 Sb\n0.669681 0.834841 0.755715 Sb\n0.165160 0.834841 0.755715 Sb\n0.474896 0.525105 0.637298 O\n0.949792 0.474896 0.137298 O\n0.333333 0.666667 0.872322 O\n0.000000 0.000000 0.153135 O\n0.000000 0.000000 0.653135 O\n0.525105 0.474896 0.137298 O\n0.050209 0.525105 0.637298 O\n0.164641 0.835360 0.342083 O\n0.164640 0.329281 0.342083 O\n0.329281 0.164640 0.842083 O\n0.835360 0.164641 0.842083 O\n0.474896 0.949792 0.637298 O\n0.670720 0.835360 0.342083 O\n0.835360 0.670720 0.842083 O\n0.525105 0.050209 0.137298 O\n0.666667 0.333333 0.372322 O\n",
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"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912861 -5.045224 -0.000000\n2.912861 5.045224 0.000000\n0.000000 0.000000 10.124470\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.013829 Sc\n0.333333 0.666667 0.513829 Sc\n0.666667 0.333333 0.452784 Zn\n0.333333 0.666667 0.952784 Zn\n0.855664 0.144336 0.751027 Mo\n0.144336 0.288672 0.251027 Mo\n0.711328 0.855664 0.251027 Mo\n0.144336 0.855664 0.251027 Mo\n0.288672 0.144336 0.751027 Mo\n0.855664 0.711328 0.751027 Mo\n0.489450 0.978900 0.366215 O\n0.666667 0.333333 0.647540 O\n0.333333 0.666667 0.147540 O\n0.000000 0.000000 0.891510 O\n0.000000 0.000000 0.391510 O\n0.510549 0.021099 0.866215 O\n0.021099 0.510549 0.366215 O\n0.165017 0.330034 0.628602 O\n0.165017 0.834983 0.628602 O\n0.330034 0.165017 0.128602 O\n0.834983 0.669966 0.128602 O\n0.489450 0.510549 0.366215 O\n0.669966 0.834983 0.628602 O\n0.834983 0.165017 0.128602 O\n0.510549 0.489450 0.866215 O\n0.978900 0.489450 0.866215 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mo-O-Sc-Zn",
"density": 5.872337595470454,
"density_atomic": 0.08737171100662826,
"volume": 297.57915577534663,
"volume_molar": 6.892552166619632,
"formula_full": "Sc2 Zn2 Mo6 O16",
"formula_reduced": "ScZnMo3O8",
"formula_anonymous": "ABC3D8",
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"spacegroup": 186
},
{
"id": "jvasp-34471",
"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
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],
"chemical_system": "Cu-H-O-Sr",
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"formula_full": "Sr2 Cu2 H12 O10",
"formula_reduced": "SrCuH6O5",
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"spacegroup": 13
}
]
}