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  1. Third-Parties
  2. MatprojStructure
  3. mp-607454

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-607454
  • 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: 52
  • Number of elements: 4
  • Element list: ['Al', 'C', 'N', 'Cl']
  • Chemical System: Al-C-Cl-N
  • Density: 1.813882820501972
  • Atomic Density: 0.04469053429839734
  • Unit Cell Volume: 1163.5573576453032
  • Molar Volume: 13.475204211680152
  • Full Formula: Al4 C12 N12 Cl24
  • Reduced Formula: AlC3(NCl2)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -312.26772669
  • Final energy per atom: -6.005148590192308
  • 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.