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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212265

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-1212265
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['K', 'Zr', 'Te']
  • Chemical System: K-Te-Zr
  • Density: 4.977267408706694
  • Atomic Density: 0.027675949291284755
  • Unit Cell Volume: 3468.7157065369643
  • Molar Volume: 21.759473167904638
  • Full Formula: K16 Zr12 Te68
  • Reduced Formula: K4Zr3Te17
  • Formula Anonymous: A3B4C17
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -428.01572031
  • Final energy per atom: -4.4584970865625
  • 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.