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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233582

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-1233582
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 5
  • Element list: ['Cs', 'Mg', 'Np', 'H', 'O']
  • Chemical System: Cs-H-Mg-Np-O
  • Density: 4.149560083375841
  • Atomic Density: 0.06716469967400443
  • Unit Cell Volume: 640.217260089124
  • Molar Volume: 8.966228970321477
  • Full Formula: Cs6 Mg1 Np2 H16 O18
  • Reduced Formula: Cs6MgNp2(H8O9)2
  • Formula Anonymous: AB2C6D16E18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -256.97830867
  • Final energy per atom: -5.976239736511627
  • 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.