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  1. Third-Parties
  2. MatprojStructure
  3. mp-774386

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-774386
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'H', 'O']
  • Chemical System: Cr-H-Li-O-P
  • Density: 2.7307752189994194
  • Atomic Density: 0.08611755648235114
  • Unit Cell Volume: 673.4979761285548
  • Molar Volume: 6.992930368657373
  • Full Formula: Li4 Cr6 P8 H8 O32
  • Reduced Formula: Li2Cr3P4(HO4)4
  • Formula Anonymous: A2B3C4D4E16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -427.33001587
  • Final energy per atom: -7.367758894310345
  • 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.