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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194525

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-1194525
  • Created at: Sept. 4, 2022, 2:40 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: ['Co', 'H', 'C', 'I', 'N']
  • Chemical System: C-Co-H-I-N
  • Density: 2.7673315654271167
  • Atomic Density: 0.0554908707664494
  • Unit Cell Volume: 3027.5250267216074
  • Molar Volume: 10.85248920555969
  • Full Formula: Co8 H96 C16 I32 N16
  • Reduced Formula: CoH12C2(I2N)2
  • Formula Anonymous: AB2C2D4E12
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -778.4142253300001
  • Final energy per atom: -4.633418007916667
  • 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.