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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207808

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-1207808
  • 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: 28
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Br']
  • Chemical System: B-Br-Y
  • Density: 4.806838972091586
  • Atomic Density: 0.039175626577256956
  • Unit Cell Volume: 714.7301127343076
  • Molar Volume: 15.372161943916675
  • Full Formula: Y12 B4 Br12
  • Reduced Formula: Y3BBr3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 214
  • Spacegroup Symbol: I4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -166.78697905
  • Final energy per atom: -5.956677823214286
  • 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.