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  1. Third-Parties
  2. MatprojStructure
  3. mp-698475

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-698475
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 6
  • Element list: ['K', 'Er', 'P', 'H', 'Cl', 'O']
  • Chemical System: Cl-Er-H-K-O-P
  • Density: 2.753508884829536
  • Atomic Density: 0.07290994785018394
  • Unit Cell Volume: 1069.8128623034424
  • Molar Volume: 8.25969697903824
  • Full Formula: K8 Er2 P12 H12 Cl2 O42
  • Reduced Formula: K4ErP6H6ClO21
  • Formula Anonymous: ABC4D6E6F21
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -525.5083061500001
  • Final energy per atom: -6.7372859762820525
  • 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.