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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223587

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-1223587
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Gd', 'Mo', 'O']
  • Chemical System: Ba-Gd-K-Mo-O
  • Density: 4.73280369050046
  • Atomic Density: 0.06306533315273258
  • Unit Cell Volume: 570.8365943745141
  • Molar Volume: 9.549050895228746
  • Full Formula: K2 Ba2 Gd2 Mo6 O24
  • Reduced Formula: KBaGd(MoO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -310.54048632
  • Final energy per atom: -8.62612462
  • 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.