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  1. Third-Parties
  2. MatprojStructure
  3. mp-699660

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-699660
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Ho', 'Cu', 'Mo', 'O']
  • Chemical System: Cu-Ho-K-Mo-O
  • Density: 5.4025571198419575
  • Atomic Density: 0.07282211593564313
  • Unit Cell Volume: 659.1404188587463
  • Molar Volume: 8.269659131193187
  • Full Formula: K2 Ho4 Cu2 Mo8 O32
  • Reduced Formula: KHo2Cu(MoO4)4
  • Formula Anonymous: ABC2D4E16
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -388.73815201
  • Final energy per atom: -8.098711500208333
  • 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.