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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042520

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-1042520
  • 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: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'V', 'Cu', 'O']
  • Chemical System: Al-Ba-Cu-O-V
  • Density: 5.233225100667928
  • Atomic Density: 0.07905308443821792
  • Unit Cell Volume: 113.84755021208235
  • Molar Volume: 7.6178441395369765
  • Full Formula: Ba1 Al1 V1 Cu1 O5
  • Reduced Formula: BaAlVCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -63.4485406
  • Final energy per atom: -7.049837844444444
  • 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.