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  1. Third-Parties
  2. MatprojStructure
  3. mp-698120

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-698120
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Gd', 'Cu', 'Mo', 'O']
  • Chemical System: Cu-Gd-K-Mo-O
  • Density: 5.174143804717842
  • Atomic Density: 0.07075691982997549
  • Unit Cell Volume: 678.3788796253573
  • Molar Volume: 8.511027295239579
  • Full Formula: K2 Gd4 Cu2 Mo8 O32
  • Reduced Formula: KGd2Cu(MoO4)4
  • Formula Anonymous: ABC2D4E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -426.05525334
  • Final energy per atom: -8.87615111125
  • 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.