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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211621

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-1211621
  • 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: 96
  • Number of elements: 5
  • Element list: ['Li', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-Zn
  • Density: 2.911546808224983
  • Atomic Density: 0.08508041292268781
  • Unit Cell Volume: 1128.344312188926
  • Molar Volume: 7.078175285153225
  • Full Formula: Li8 Zn8 P16 H8 O56
  • Reduced Formula: LiZnP2HO7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -648.58637062
  • Final energy per atom: -6.756108027291667
  • 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.