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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197326

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-1197326
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['K', 'Lu', 'H', 'C', 'O']
  • Chemical System: C-H-K-Lu-O
  • Density: 2.607968468503071
  • Atomic Density: 0.08835478588556432
  • Unit Cell Volume: 588.5363138941851
  • Molar Volume: 6.815862547389089
  • Full Formula: K2 Lu2 H16 C8 O24
  • Reduced Formula: KLuH8(CO3)4
  • Formula Anonymous: ABC4D8E12
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -349.22223644
  • Final energy per atom: -6.71581223923077
  • 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.