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  1. Third-Parties
  2. MatprojStructure
  3. mp-680045

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-680045
  • 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: 40
  • Number of elements: 4
  • Element list: ['K', 'Ce', 'Ag', 'Te']
  • Chemical System: Ag-Ce-K-Te
  • Density: 5.551073104186139
  • Atomic Density: 0.031767364074265385
  • Unit Cell Volume: 1259.1538884525783
  • Molar Volume: 18.957004886906912
  • Full Formula: K8 Ce4 Ag12 Te16
  • Reduced Formula: K2CeAg3Te4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -154.57553339
  • Final energy per atom: -3.86438833475
  • 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.