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  1. Third-Parties
  2. MatprojStructure
  3. mp-560551

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-560551
  • 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: 5
  • Element list: ['K', 'V', 'Cu', 'Cl', 'O']
  • Chemical System: Cl-Cu-K-O-V
  • Density: 2.728597162864654
  • Atomic Density: 0.05695736544159787
  • Unit Cell Volume: 456.48178770943167
  • Molar Volume: 10.573067615240907
  • Full Formula: K4 V5 Cu1 Cl1 O15
  • Reduced Formula: K4V5CuClO15
  • Formula Anonymous: ABC4D5E15
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -189.21087723
  • Final energy per atom: -7.277341431923077
  • 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.