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  1. Third-Parties
  2. MatprojStructure
  3. mp-697222

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-697222
  • 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: 52
  • Number of elements: 5
  • Element list: ['Rb', 'Li', 'Zn', 'Mo', 'O']
  • Chemical System: Li-Mo-O-Rb-Zn
  • Density: 3.857561679112308
  • Atomic Density: 0.058418878766239545
  • Unit Cell Volume: 890.123211848615
  • Molar Volume: 10.308552452876269
  • Full Formula: Rb6 Li2 Zn4 Mo8 O32
  • Reduced Formula: Rb3LiZn2(MoO4)4
  • Formula Anonymous: AB2C3D4E16
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -369.01703633
  • Final energy per atom: -7.096481467884615
  • 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.