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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097016

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-1097016
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 2
  • Element list: ['H', 'C']
  • Chemical System: C-H
  • Density: 1.1232654504302297
  • Atomic Density: 0.08445342180989075
  • Unit Cell Volume: 1562.9917316688384
  • Molar Volume: 7.130724405171132
  • Full Formula: H48 C84
  • Reduced Formula: H4C7
  • Formula Anonymous: A4B7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -935.79351694
  • Final energy per atom: -7.08934482530303
  • 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.