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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215380

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-1215380
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Zr', 'Al', 'Cu', 'H']
  • Chemical System: Al-Cu-H-Zr
  • Density: 6.71948052118818
  • Atomic Density: 0.07374258424465886
  • Unit Cell Volume: 433.94193908138965
  • Molar Volume: 8.166435746298355
  • Full Formula: Zr6 Al7 Cu16 H3
  • Reduced Formula: Zr6Al7Cu16H3
  • Formula Anonymous: A3B6C7D16
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -165.19109323
  • Final energy per atom: -5.1622216634375
  • 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.