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  1. Third-Parties
  2. MatprojStructure
  3. mp-758907

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-758907
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Cr', 'H', 'I', 'N']
  • Chemical System: Cr-H-I-N
  • Density: 3.1807992344483154
  • Atomic Density: 0.058797207063606874
  • Unit Cell Volume: 544.2435380541523
  • Molar Volume: 10.24222248088288
  • Full Formula: Cr1 H18 I7 N6
  • Reduced Formula: CrH18I7N6
  • Formula Anonymous: AB6C7D18
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -149.24773797999998
  • Final energy per atom: -4.6639918118749994
  • 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.