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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195680

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-1195680
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'P']
  • Chemical System: Ba-Ga-P
  • Density: 4.465623589571733
  • Atomic Density: 0.035409598584481276
  • Unit Cell Volume: 1129.6372057019175
  • Molar Volume: 17.007085651175057
  • Full Formula: Ba14 Ga8 P18
  • Reduced Formula: Ba7Ga4P9
  • Formula Anonymous: A4B7C9
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -182.54470321
  • Final energy per atom: -4.56361758025
  • 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.