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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223573

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-1223573
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['K', 'Ba', 'V', 'Cu', 'Cl', 'O']
  • Chemical System: Ba-Cl-Cu-K-O-V
  • Density: 3.5741412806859905
  • Atomic Density: 0.05718577393973738
  • Unit Cell Volume: 454.6585314627186
  • Molar Volume: 10.530837208474539
  • Full Formula: K2 Ba2 V4 Cu2 Cl2 O14
  • Reduced Formula: KBaV2CuClO7
  • Formula Anonymous: ABCDE2F7
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -184.35929292
  • Final energy per atom: -7.090742035384616
  • 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.