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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105231

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-1105231
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Ba', 'P']
  • Chemical System: Ba-P
  • Density: 4.478639436728209
  • Atomic Density: 0.029948177071809797
  • Unit Cell Volume: 601.0382520725574
  • Molar Volume: 20.10853864514057
  • Full Formula: Ba10 P8
  • Reduced Formula: Ba5P4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -80.69847975
  • Final energy per atom: -4.483248875
  • 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.