Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234594

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-1234594
  • 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: 39
  • Number of elements: 4
  • Element list: ['Mg', 'Ag', 'Pb', 'O']
  • Chemical System: Ag-Mg-O-Pb
  • Density: 8.100717287304853
  • Atomic Density: 0.06206068376846069
  • Unit Cell Volume: 628.417181890926
  • Molar Volume: 9.703632629101744
  • Full Formula: Mg1 Ag14 Pb6 O18
  • Reduced Formula: MgAg14(PbO3)6
  • Formula Anonymous: AB6C14D18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -186.46019856
  • Final energy per atom: -4.781030732307692
  • 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.