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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203656

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-1203656
  • 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: 80
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'O']
  • Chemical System: B-C-H-O
  • Density: 1.5247641836792443
  • Atomic Density: 0.10794781577396897
  • Unit Cell Volume: 741.0988302673148
  • Molar Volume: 5.578751841176398
  • Full Formula: B20 H32 C4 O24
  • Reduced Formula: B5H8CO6
  • Formula Anonymous: AB5C6D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -491.05121551
  • Final energy per atom: -6.138140193875
  • 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.