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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202789

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-1202789
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Mg', 'B', 'H', 'C', 'S']
  • Chemical System: B-C-H-Mg-S
  • Density: 0.8753560051356158
  • Atomic Density: 0.0960626356438537
  • Unit Cell Volume: 645.4122311390787
  • Molar Volume: 6.268973071201914
  • Full Formula: Mg4 B8 H44 C4 S2
  • Reduced Formula: Mg2B4H22C2S
  • Formula Anonymous: AB2C2D4E22
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -267.64298138
  • Final energy per atom: -4.31682228032258
  • 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.