Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560774

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-560774
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['U', 'Ag', 'Mo', 'O']
  • Chemical System: Ag-Mo-O-U
  • Density: 6.066314957137106
  • Atomic Density: 0.06589677355982881
  • Unit Cell Volume: 1244.3704838682395
  • Molar Volume: 9.138749038346155
  • Full Formula: U6 Ag12 Mo10 O54
  • Reduced Formula: U3Ag6Mo5O27
  • Formula Anonymous: A3B5C6D27
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -646.6616018899999
  • Final energy per atom: -7.886117096219511
  • 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.