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  1. Third-Parties
  2. MatprojStructure
  3. mp-30168

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-30168
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 2
  • Element list: ['H', 'C']
  • Chemical System: C-H
  • Density: 0.9247965891529347
  • Atomic Density: 0.11245737090212095
  • Unit Cell Volume: 942.5793894137786
  • Molar Volume: 5.355043170306253
  • Full Formula: H68 C38
  • Reduced Formula: H34C19
  • Formula Anonymous: A19B34
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -597.14137678
  • Final energy per atom: -5.63340921490566
  • 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.