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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208735

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-1208735
  • 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: 88
  • Number of elements: 5
  • Element list: ['Sr', 'Al', 'H', 'C', 'O']
  • Chemical System: Al-C-H-O-Sr
  • Density: 2.7549580804652765
  • Atomic Density: 0.10499096917228526
  • Unit Cell Volume: 838.1673270926391
  • Molar Volume: 5.73586548202822
  • Full Formula: Sr4 Al8 H24 C8 O44
  • Reduced Formula: SrAl2H6C2O11
  • Formula Anonymous: AB2C2D6E11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -600.6768929699999
  • Final energy per atom: -6.825873783749999
  • 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.