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  1. Third-Parties
  2. MatprojStructure
  3. mp-978496

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-978496
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 2
  • Element list: ['Si', 'B']
  • Chemical System: B-Si
  • Density: 2.5529142362279953
  • Atomic Density: 0.10776753576070075
  • Unit Cell Volume: 139.18848467786904
  • Molar Volume: 5.58808431267487
  • Full Formula: Si3 B12
  • Reduced Formula: SiB4
  • Formula Anonymous: AB4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -92.68706368
  • Final energy per atom: -6.1791375786666665
  • 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.