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  1. Third-Parties
  2. MatprojStructure
  3. mp-669391

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-669391
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Cu', 'P']
  • Chemical System: Ca-Cu-P-Zn
  • Density: 4.007221831068553
  • Atomic Density: 0.05306773810991389
  • Unit Cell Volume: 527.6275378838723
  • Molar Volume: 11.348026078531827
  • Full Formula: Ca8 Zn4 Cu6 P10
  • Reduced Formula: Ca4Zn2Cu3P5
  • Formula Anonymous: A2B3C4D5
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -122.34977035999998
  • Final energy per atom: -4.369634655714285
  • 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.