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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105830

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-1105830
  • 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: 16
  • Number of elements: 3
  • Element list: ['Zr', 'Cu', 'H']
  • Chemical System: Cu-H-Zr
  • Density: 6.060451841397151
  • Atomic Density: 0.11630914596950889
  • Unit Cell Volume: 137.56441822893697
  • Molar Volume: 5.177701813388552
  • Full Formula: Zr4 Cu2 H10
  • Reduced Formula: Zr2CuH5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -83.95998454000001
  • Final energy per atom: -5.2474990337500005
  • 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.