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  1. Third-Parties
  2. MatprojStructure
  3. mp-773901

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-773901
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'P', 'O']
  • Chemical System: K-O-P-Zn
  • Density: 2.702290633744686
  • Atomic Density: 0.06428763483076373
  • Unit Cell Volume: 684.4239971781411
  • Molar Volume: 9.367494660292293
  • Full Formula: K4 Zn4 P8 O28
  • Reduced Formula: KZnP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -295.0620033
  • Final energy per atom: -6.705954620454546
  • 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.