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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204917

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-1204917
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Co', 'B', 'H', 'C']
  • Chemical System: B-C-Co-H
  • Density: 1.186973751569642
  • Atomic Density: 0.09463771688129426
  • Unit Cell Volume: 929.8618235938632
  • Molar Volume: 6.363362260264243
  • Full Formula: Co2 B20 H42 C24
  • Reduced Formula: CoB10(H7C4)3
  • Formula Anonymous: AB10C12D21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -517.38097851
  • Final energy per atom: -5.879329301249999
  • 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.