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  1. Third-Parties
  2. MatprojStructure
  3. mp-1021328

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-1021328
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['H', 'C']
  • Chemical System: C-H
  • Density: 0.4330682613662343
  • Atomic Density: 0.08128423039662253
  • Unit Cell Volume: 61.51254647553085
  • Molar Volume: 7.4087442676337725
  • Full Formula: H4 C1
  • Reduced Formula: H4C
  • Formula Anonymous: AB4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -24.07146417
  • Final energy per atom: -4.814292834
  • 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.