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  1. Third-Parties
  2. MatprojStructure
  3. mp-734071

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-734071
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'H', 'O']
  • Chemical System: Cr-H-Li-O
  • Density: 1.8650759443610923
  • Atomic Density: 0.07180870464189167
  • Unit Cell Volume: 473.4802022896417
  • Molar Volume: 8.386365956651462
  • Full Formula: Li4 Cr4 H8 O18
  • Reduced Formula: Li2Cr2H4O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -217.29999391
  • Final energy per atom: -6.391176291470589
  • 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.