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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228359

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-1228359
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Cu']
  • Chemical System: Al-Ba-Cu
  • Density: 4.206592646325186
  • Atomic Density: 0.02831507404228259
  • Unit Cell Volume: 353.16877452155376
  • Molar Volume: 21.268320722054984
  • Full Formula: Ba5 Al3 Cu2
  • Reduced Formula: Ba5Al3Cu2
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -27.93793506
  • Final energy per atom: -2.793793506
  • 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.