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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204254

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-1204254
  • 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: 168
  • Number of elements: 5
  • Element list: ['Li', 'Si', 'H', 'C', 'N']
  • Chemical System: C-H-Li-N-Si
  • Density: 0.9027532768025829
  • Atomic Density: 0.08971078478535133
  • Unit Cell Volume: 1872.6845429116381
  • Molar Volume: 6.712839236006039
  • Full Formula: Li4 Si12 H108 C36 N8
  • Reduced Formula: LiSi3H27C9N2
  • Formula Anonymous: AB2C3D9E27
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -877.44255189
  • Final energy per atom: -5.2228723326785715
  • 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.