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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195683

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-1195683
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Na', 'Lu', 'H', 'C', 'O']
  • Chemical System: C-H-Lu-Na-O
  • Density: 2.7553871251543907
  • Atomic Density: 0.08208975023128257
  • Unit Cell Volume: 682.1801728257623
  • Molar Volume: 7.336044686496192
  • Full Formula: Na10 Lu2 H8 C8 O28
  • Reduced Formula: Na5LuH4(C2O7)2
  • Formula Anonymous: AB4C4D5E14
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -379.39665342
  • Final energy per atom: -6.7749402396428575
  • 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.