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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196108

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-1196108
  • 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: 66
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'P']
  • Chemical System: Ba-Ga-P
  • Density: 4.212536699769128
  • Atomic Density: 0.035959615294101695
  • Unit Cell Volume: 1835.3922715860008
  • Molar Volume: 16.746955468647037
  • Full Formula: Ba18 Ga18 P30
  • Reduced Formula: Ba3Ga3P5
  • Formula Anonymous: A3B3C5
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -302.29336604
  • Final energy per atom: -4.580202515757576
  • 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.