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  1. Third-Parties
  2. MatprojStructure
  3. mp-704967

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-704967
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['K', 'Ce', 'Ni', 'N', 'O']
  • Chemical System: Ce-K-N-Ni-O
  • Density: 2.713638285193302
  • Atomic Density: 0.0715423856812856
  • Unit Cell Volume: 1230.0400547450497
  • Molar Volume: 8.41758448876454
  • Full Formula: K10 Ce2 Ni4 N24 O48
  • Reduced Formula: K5CeNi2(NO2)12
  • Formula Anonymous: AB2C5D12E24
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -580.83173269
  • Final energy per atom: -6.60036059875
  • 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.