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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229173

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-1229173
  • 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: 54
  • Number of elements: 5
  • Element list: ['Ba', 'Sm', 'Al', 'Co', 'O']
  • Chemical System: Al-Ba-Co-O-Sm
  • Density: 6.001433488872075
  • Atomic Density: 0.06285562178139625
  • Unit Cell Volume: 859.1116986767712
  • Molar Volume: 9.580910329618929
  • Full Formula: Ba12 Sm4 Al3 Co5 O30
  • Reduced Formula: Ba12Sm4Al3(CoO6)5
  • Formula Anonymous: A3B4C5D12E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -390.50550119
  • Final energy per atom: -7.231583355370371
  • 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.