Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-14651

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-14651
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Zr', 'Ag', 'Pd', 'F']
  • Chemical System: Ag-F-Pd-Zr
  • Density: 4.128301494355695
  • Atomic Density: 0.061566240319924304
  • Unit Cell Volume: 243.64001962851128
  • Molar Volume: 9.781563286480386
  • Full Formula: Zr2 Ag1 Pd1 F11
  • Reduced Formula: Zr2AgPdF11
  • Formula Anonymous: ABC2D11
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.0880875
  • Final energy per atom: -6.2058725
  • 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.