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  1. Third-Parties
  2. MatprojStructure
  3. mp-556502

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-556502
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Ni', 'P', 'W', 'O']
  • Chemical System: K-Ni-O-P-W
  • Density: 3.845251054575535
  • Atomic Density: 0.06827450372338241
  • Unit Cell Volume: 937.3923867583018
  • Molar Volume: 8.820482656891958
  • Full Formula: K8 Ni4 P8 W4 O40
  • Reduced Formula: K2NiP2WO10
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -480.80134804
  • Final energy per atom: -7.512521063125
  • 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.