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  1. Third-Parties
  2. MatprojStructure
  3. mp-567378

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-567378
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['Ba', 'P']
  • Chemical System: Ba-P
  • Density: 4.065537166268624
  • Atomic Density: 0.03550504710068642
  • Unit Cell Volume: 788.620274762533
  • Molar Volume: 16.961365360035174
  • Full Formula: Ba10 P18
  • Reduced Formula: Ba5P9
  • Formula Anonymous: A5B9
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -140.13700043
  • Final energy per atom: -5.0048928725
  • 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.