Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223499

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-1223499
  • 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: 8
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Ag', 'Te']
  • Chemical System: Ag-Ba-K-Te
  • Density: 5.744128448665666
  • Atomic Density: 0.03066112827374733
  • Unit Cell Volume: 260.9166867107679
  • Molar Volume: 19.64096267506332
  • Full Formula: K1 Ba1 Ag2 Te4
  • Reduced Formula: KBa(AgTe2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -28.86615359
  • Final energy per atom: -3.60826919875
  • 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.