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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-734433
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 90
Number of elements: 5
Element list: ['Cd', 'Ni', 'H', 'Cl', 'O']
Chemical System: Cd-Cl-H-Ni-O
Density: 2.746530887332554
Atomic Density: 0.0713600563528309
Unit Cell Volume: 1261.2097663573334
Molar Volume: 8.439091934322862
Full Formula: Cd8 Ni2 H40 Cl20 O20
Reduced Formula: Cd4NiH20(ClO)10
Formula Anonymous: AB4C10D10E20
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -409.01174369000006
Final energy per atom: -4.544574929888889
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.