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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201695

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-1201695
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 220
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'N']
  • Chemical System: B-C-H-N
  • Density: 0.9285173906536501
  • Atomic Density: 0.09904598027676005
  • Unit Cell Volume: 2221.1905963802183
  • Molar Volume: 6.080146557359101
  • Full Formula: B80 H120 C12 N8
  • Reduced Formula: B20H30C3N2
  • Formula Anonymous: A2B3C20D30
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1152.1086043399998
  • Final energy per atom: -5.236857292454545
  • 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.