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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223496

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-1223496
  • 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: 36
  • Number of elements: 5
  • Element list: ['K', 'Ni', 'H', 'Se', 'O']
  • Chemical System: H-K-Ni-O-Se
  • Density: 3.743524734579456
  • Atomic Density: 0.08499646229038553
  • Unit Cell Volume: 423.547039840412
  • Molar Volume: 7.08516636777858
  • Full Formula: K2 Ni4 H6 Se4 O20
  • Reduced Formula: KNi2H3(SeO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -208.19488206
  • Final energy per atom: -5.7831911683333335
  • 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.