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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229072

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-1229072
  • 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: 32
  • Number of elements: 5
  • Element list: ['Al', 'Ga', 'Cu', 'As', 'O']
  • Chemical System: Al-As-Cu-Ga-O
  • Density: 4.028634281885486
  • Atomic Density: 0.07274203550355501
  • Unit Cell Volume: 439.9107033296602
  • Molar Volume: 8.278763054005669
  • Full Formula: Al2 Ga2 Cu4 As4 O20
  • Reduced Formula: AlGaCu2(AsO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -207.26806174
  • Final energy per atom: -6.477126929375
  • 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.