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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200513

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-1200513
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Ba', 'Cu', 'Ge', 'H', 'O']
  • Chemical System: Ba-Cu-Ge-H-O
  • Density: 4.873975384734946
  • Atomic Density: 0.08199467733695172
  • Unit Cell Volume: 439.0528893974468
  • Molar Volume: 7.34455083621149
  • Full Formula: Ba2 Cu4 Ge6 H4 O20
  • Reduced Formula: BaCu2Ge3(HO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -227.9213787
  • Final energy per atom: -6.331149408333333
  • 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.