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  1. Third-Parties
  2. MatprojStructure
  3. mp-755633

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-755633
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['K', 'Se']
  • Chemical System: K-Se
  • Density: 2.727952835555706
  • Atomic Density: 0.03039629756916874
  • Unit Cell Volume: 526.3798975382106
  • Molar Volume: 19.81208647630926
  • Full Formula: K10 Se6
  • Reduced Formula: K5Se3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -51.34984582
  • Final energy per atom: -3.20936536375
  • 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.