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  1. Third-Parties
  2. MatprojStructure
  3. mp-778901

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-778901
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'H', 'O']
  • Chemical System: Cr-H-Li-O-P
  • Density: 3.2281349440854146
  • Atomic Density: 0.09074970208077922
  • Unit Cell Volume: 462.81143669887155
  • Molar Volume: 6.635989564615319
  • Full Formula: Li2 Cr6 P6 H4 O24
  • Reduced Formula: LiCr3P3(HO6)2
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -324.22224263
  • Final energy per atom: -7.71957720547619
  • 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.