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  1. Third-Parties
  2. MatprojStructure
  3. mp-585476

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-585476
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Np', 'Cl', 'O']
  • Chemical System: Cl-Cs-Np-O
  • Density: 3.950966432726465
  • Atomic Density: 0.0308036247312011
  • Unit Cell Volume: 1817.9678686735006
  • Molar Volume: 19.550104289837527
  • Full Formula: Cs14 Np6 Cl24 O12
  • Reduced Formula: Cs7Np3(Cl2O)6
  • Formula Anonymous: A3B6C7D12
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -339.50576412000004
  • Final energy per atom: -6.062602930714286
  • 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.