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  1. Third-Parties
  2. MatprojStructure
  3. mp-571020

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-571020
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Cs', 'Mg', 'H']
  • Chemical System: Cs-H-Mg
  • Density: 3.004943161821713
  • Atomic Density: 0.056467915658633426
  • Unit Cell Volume: 531.2751435941
  • Molar Volume: 10.664712323376275
  • Full Formula: Cs6 Mg6 H18
  • Reduced Formula: CsMgH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -85.97514195
  • Final energy per atom: -2.8658380649999997
  • 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.