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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210995

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-1210995
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'H', 'Cl']
  • Chemical System: Cl-H-Li-Zn
  • Density: 2.0171932646119557
  • Atomic Density: 0.04900096130562163
  • Unit Cell Volume: 734.6794642551207
  • Molar Volume: 12.289842075627016
  • Full Formula: Li8 Zn4 H8 Cl16
  • Reduced Formula: Li2Zn(HCl2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -109.36376285
  • Final energy per atom: -3.0378823013888887
  • 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.