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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197754

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-1197754
  • 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: 56
  • Number of elements: 6
  • Element list: ['Np', 'U', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Np-O-P-U
  • Density: 3.7282326899091727
  • Atomic Density: 0.07119790531953755
  • Unit Cell Volume: 786.5399936791811
  • Molar Volume: 8.458311705902748
  • Full Formula: Np2 U2 P8 H8 C4 O32
  • Reduced Formula: NpUP4H4(CO8)2
  • Formula Anonymous: ABC2D4E4F16
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -423.19723413
  • Final energy per atom: -7.557093466607143
  • 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.