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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234148

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-1234148
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 6
  • Element list: ['Mg', 'Al', 'Ga', 'Cu', 'As', 'O']
  • Chemical System: Al-As-Cu-Ga-Mg-O
  • Density: 4.111231368982404
  • Atomic Density: 0.07484868658553165
  • Unit Cell Volume: 440.8894999418593
  • Molar Volume: 8.045753418957238
  • Full Formula: Mg1 Al2 Ga2 Cu4 As4 O20
  • Reduced Formula: MgAl2Ga2Cu4(AsO5)4
  • Formula Anonymous: AB2C2D4E4F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -211.03154912
  • Final energy per atom: -6.3948954278787875
  • 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.