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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192840

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-1192840
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['K', 'Zn', 'Cd', 'B', 'O', 'F']
  • Chemical System: B-Cd-F-K-O-Zn
  • Density: 4.019226136353197
  • Atomic Density: 0.0751070344987272
  • Unit Cell Volume: 346.17263447461244
  • Molar Volume: 8.018078200254402
  • Full Formula: K2 Zn4 Cd2 B4 O12 F2
  • Reduced Formula: KZn2CdB2O6F
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -160.29890234
  • Final energy per atom: -6.165342397692308
  • 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.