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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147623

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-1147623
  • 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: 4
  • Element list: ['K', 'La', 'Mo', 'O']
  • Chemical System: K-La-Mo-O
  • Density: 4.184093184110057
  • Atomic Density: 0.05695234966319359
  • Unit Cell Volume: 280.936609193848
  • Molar Volume: 10.573998782515394
  • Full Formula: K2 La2 Mo2 O10
  • Reduced Formula: KLaMoO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -126.76089357
  • Final energy per atom: -7.922555848125
  • 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.