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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228175

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-1228175
  • 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: 34
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Mo', 'N', 'Cl']
  • Chemical System: Ba-Cl-Li-Mo-N
  • Density: 4.463939917696917
  • Atomic Density: 0.043342015336113156
  • Unit Cell Volume: 784.4582153444705
  • Molar Volume: 13.894464097478803
  • Full Formula: Ba10 Li2 Mo4 N14 Cl4
  • Reduced Formula: Ba5LiMo2N7Cl2
  • Formula Anonymous: AB2C2D5E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -237.0064975
  • Final energy per atom: -6.970779338235294
  • 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.