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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204293

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-1204293
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['B', 'H', 'C', 'N', 'F']
  • Chemical System: B-C-F-H-N
  • Density: 1.283673775650764
  • Atomic Density: 0.0999700566729552
  • Unit Cell Volume: 380.113818723883
  • Molar Volume: 6.02394452941144
  • Full Formula: B2 H20 C6 N2 F8
  • Reduced Formula: BH10C3NF4
  • Formula Anonymous: ABC3D4E10
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -209.05295292
  • Final energy per atom: -5.501393497894736
  • 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.