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  1. Third-Parties
  2. MatprojStructure
  3. mp-1952

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-1952
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 2
  • Element list: ['Ba', 'Al']
  • Chemical System: Al-Ba
  • Density: 3.962189821562164
  • Atomic Density: 0.03637191110819447
  • Unit Cell Volume: 549.8748729619014
  • Molar Volume: 16.557119426818442
  • Full Formula: Ba7 Al13
  • Reduced Formula: Ba7Al13
  • Formula Anonymous: A7B13
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -66.47434014
  • Final energy per atom: -3.323717007
  • 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.