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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213707

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-1213707
  • Created at: Sept. 4, 2022, 2:43 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: ['Cs', 'Li', 'Fe', 'Mo', 'O']
  • Chemical System: Cs-Fe-Li-Mo-O
  • Density: 3.742790498067202
  • Atomic Density: 0.05288153707477623
  • Unit Cell Volume: 983.3299649832471
  • Molar Volume: 11.387983582028818
  • Full Formula: Cs6 Li4 Fe2 Mo8 O32
  • Reduced Formula: Cs3Li2Fe(MoO4)4
  • Formula Anonymous: AB2C3D4E16
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -386.14428547
  • Final energy per atom: -7.425851643653846
  • 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.