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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201209

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-1201209
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Mo', 'C', 'I', 'O']
  • Chemical System: C-I-Mo-O
  • Density: 2.523843561129847
  • Atomic Density: 0.04538557142517677
  • Unit Cell Volume: 881.3373665669168
  • Molar Volume: 13.268844196284228
  • Full Formula: Mo4 C16 I4 O16
  • Reduced Formula: MoC4IO4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -306.75809877999995
  • Final energy per atom: -7.668952469499999
  • 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.