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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224538

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-1224538
  • 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: 74
  • Number of elements: 5
  • Element list: ['K', 'Lu', 'Hf', 'Mo', 'O']
  • Chemical System: Hf-K-Lu-Mo-O
  • Density: 3.8270768267629958
  • Atomic Density: 0.05652663851569664
  • Unit Cell Volume: 1309.1172930697312
  • Molar Volume: 10.653633257048776
  • Full Formula: K10 Lu2 Hf2 Mo12 O48
  • Reduced Formula: K5LuHf(MoO4)6
  • Formula Anonymous: ABC5D6E24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -587.70892542
  • Final energy per atom: -7.942012505675676
  • 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.