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  1. Third-Parties
  2. MatprojStructure
  3. mp-581443

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-581443
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 4
  • Element list: ['Cs', 'U', 'Mo', 'O']
  • Chemical System: Cs-Mo-O-U
  • Density: 4.981415620053165
  • Atomic Density: 0.04636104978092291
  • Unit Cell Volume: 2847.2176670666468
  • Molar Volume: 12.989655731389517
  • Full Formula: Cs24 U12 Mo12 O84
  • Reduced Formula: Cs2UMoO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1064.21125118
  • Final energy per atom: -8.062206448333335
  • 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.