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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207798

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-1207798
  • 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: 28
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Cl']
  • Chemical System: B-Cl-Y
  • Density: 3.887695781049672
  • Atomic Density: 0.042691084572919924
  • Unit Cell Volume: 655.8746464305368
  • Molar Volume: 14.106319434714015
  • Full Formula: Y12 B4 Cl12
  • Reduced Formula: Y3BCl3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 214
  • Spacegroup Symbol: I4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -176.39365222
  • Final energy per atom: -6.299773293571429
  • 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.