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  1. Third-Parties
  2. MatprojStructure
  3. mp-1183368

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-1183368
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ba', 'Pr']
  • Chemical System: Ba-Pr
  • Density: 4.301497371127366
  • Atomic Density: 0.01874100519636343
  • Unit Cell Volume: 426.8714466581733
  • Molar Volume: 32.13349922750439
  • Full Formula: Ba6 Pr2
  • Reduced Formula: Ba3Pr
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -19.70657865
  • Final energy per atom: -2.46332233125
  • 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.