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  1. Third-Parties
  2. MatprojStructure
  3. mp-23861

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-23861
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'H', 'Cl']
  • Chemical System: Ba-Cl-H
  • Density: 4.010975195912121
  • Atomic Density: 0.04169677807849964
  • Unit Cell Volume: 143.89601011148187
  • Molar Volume: 14.442700461562119
  • Full Formula: Ba2 H2 Cl2
  • Reduced Formula: BaHCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -25.332217869999997
  • Final energy per atom: -4.222036311666666
  • 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.