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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214611

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-1214611
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Ba', 'Pr', 'B', 'O']
  • Chemical System: B-Ba-O-Pr
  • Density: 3.747032144576555
  • Atomic Density: 0.07456161441791752
  • Unit Cell Volume: 831.5270596541844
  • Molar Volume: 8.076730643526478
  • Full Formula: Ba6 Pr2 B18 O36
  • Reduced Formula: Ba3Pr(BO2)9
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -512.47236404
  • Final energy per atom: -8.265683290967742
  • 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.