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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211419

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-1211419
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'H', 'Cl']
  • Chemical System: Cl-H-K-Zn
  • Density: 1.9871424643980802
  • Atomic Density: 0.03388855096753814
  • Unit Cell Volume: 708.2037831298721
  • Molar Volume: 17.77042861988585
  • Full Formula: K4 Zn4 H4 Cl12
  • Reduced Formula: KZnHCl3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -73.42228874999999
  • Final energy per atom: -3.05926203125
  • 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.