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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192533

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-1192533
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Sr', 'Al', 'As']
  • Chemical System: Al-As-Sr
  • Density: 4.162656740296218
  • Atomic Density: 0.034099217339105495
  • Unit Cell Volume: 821.1332160955254
  • Molar Volume: 17.66064217870983
  • Full Formula: Sr12 Al4 As12
  • Reduced Formula: Sr3AlAs3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -120.85843808
  • Final energy per atom: -4.316372788571429
  • 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.