Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1214829

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-1214829
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Al', 'Ni', 'Ag', 'F']
  • Chemical System: Ag-Al-F-Ni
  • Density: 5.056321498261953
  • Atomic Density: 0.07710602064200764
  • Unit Cell Volume: 285.3214290767629
  • Molar Volume: 7.810208217021014
  • Full Formula: Al2 Ni2 Ag4 F14
  • Reduced Formula: AlNiAg2F7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -112.04576167
  • Final energy per atom: -5.092989166818182
  • 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.