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  1. Third-Parties
  2. MatprojStructure
  3. mp-699558

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-699558
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['K', 'Zr', 'Cd', 'Mo', 'O']
  • Chemical System: Cd-K-Mo-O-Zr
  • Density: 3.407533111006916
  • Atomic Density: 0.056318583711117254
  • Unit Cell Volume: 1313.9534967636703
  • Molar Volume: 10.692990418385172
  • Full Formula: K10 Zr3 Cd1 Mo12 O48
  • Reduced Formula: K10Zr3Cd(MoO4)12
  • Formula Anonymous: AB3C10D12E48
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -576.42902685
  • Final energy per atom: -7.7895814439189195
  • 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.