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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104026

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-1104026
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Be', 'B', 'C']
  • Chemical System: B-Be-C
  • Density: 2.4109055526589396
  • Atomic Density: 0.13380113065483756
  • Unit Cell Volume: 112.1066759794057
  • Molar Volume: 4.500814552557946
  • Full Formula: Be1 B12 C2
  • Reduced Formula: Be(B6C)2
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -102.88473125
  • Final energy per atom: -6.858982083333333
  • 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.