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  1. Third-Parties
  2. MatprojStructure
  3. mp-733675

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-733675
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Tl', 'H']
  • Chemical System: H-K-Na-Tl
  • Density: 5.484414885265166
  • Atomic Density: 0.031016908635955107
  • Unit Cell Volume: 1289.6191709328377
  • Molar Volume: 19.415670435380125
  • Full Formula: K6 Na15 Tl18 H1
  • Reduced Formula: K6Na15Tl18H
  • Formula Anonymous: AB6C15D18
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -76.24256378
  • Final energy per atom: -1.9060640945
  • 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.