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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-1048551
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 30
Number of elements: 5
Element list: ['Y', 'Ni', 'Se', 'Cl', 'O']
Chemical System: Cl-Ni-O-Se-Y
Density: 4.4008132590418505
Atomic Density: 0.06779770995157708
Unit Cell Volume: 442.49282197624075
Molar Volume: 8.882513530768477
Full Formula: Y2 Ni6 Se4 Cl2 O16
Reduced Formula: YNi3Se2ClO8
Formula Anonymous: ABC2D3E8
Spacegroup Number: 59
Spacegroup Symbol: Pmmn1
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -195.04288663
Final energy per atom: -6.501429554333333
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.