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  1. Third-Parties
  2. MatprojStructure
  3. mp-569128

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-569128
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Si', 'B']
  • Chemical System: B-Si
  • Density: 2.449973602158678
  • Atomic Density: 0.09751785583305927
  • Unit Cell Volume: 328.14503279051553
  • Molar Volume: 6.1754236786228125
  • Full Formula: Si8 B24
  • Reduced Formula: SiB3
  • Formula Anonymous: AB3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -204.99524116
  • Final energy per atom: -6.40610128625
  • 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.