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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216165

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-1216165
  • 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: 17
  • Number of elements: 3
  • Element list: ['Y', 'Si', 'B']
  • Chemical System: B-Si-Y
  • Density: 4.380760435480644
  • Atomic Density: 0.041978079179146435
  • Unit Cell Volume: 404.973270154894
  • Molar Volume: 14.34591786417811
  • Full Formula: Y10 Si6 B1
  • Reduced Formula: Y10Si6B
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -114.98034366
  • Final energy per atom: -6.763549627058824
  • 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.