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  1. Third-Parties
  2. MatprojStructure
  3. mp-558075

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-558075
  • 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: 120
  • Number of elements: 4
  • Element list: ['K', 'U', 'Mo', 'O']
  • Chemical System: K-Mo-O-U
  • Density: 3.920890291074151
  • Atomic Density: 0.05301340494665031
  • Unit Cell Volume: 2263.5784311677626
  • Molar Volume: 11.359656611493532
  • Full Formula: K16 U8 Mo16 O80
  • Reduced Formula: K2U(MoO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -983.57533538
  • Final energy per atom: -8.196461128166666
  • 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.