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  1. Third-Parties
  2. MatprojStructure
  3. mp-560668

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-560668
  • 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: 92
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'P', 'O']
  • Chemical System: K-O-P-Zn
  • Density: 3.0379730055209047
  • Atomic Density: 0.06761696854218276
  • Unit Cell Volume: 1360.6052146896518
  • Molar Volume: 8.90625665396859
  • Full Formula: K8 Zn12 P16 O56
  • Reduced Formula: K2Zn3(P2O7)2
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -620.79865594
  • Final energy per atom: -6.747811477608695
  • 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.