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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191468

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-1191468
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Np', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Np-O-P
  • Density: 3.816951287145706
  • Atomic Density: 0.06965419232251827
  • Unit Cell Volume: 315.84602830700965
  • Molar Volume: 8.64576927705344
  • Full Formula: Np2 P2 H6 C2 O10
  • Reduced Formula: NpPH3CO5
  • Formula Anonymous: ABCD3E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -168.85328412
  • Final energy per atom: -7.675149278181819
  • 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.