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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204242

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-1204242
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Np', 'P', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Np-O-P
  • Density: 2.988057898851403
  • Atomic Density: 0.08962085344235851
  • Unit Cell Volume: 1160.44420472842
  • Molar Volume: 6.719575331731542
  • Full Formula: Np4 P8 H36 C8 N4 O44
  • Reduced Formula: NpP2H9C2NO11
  • Formula Anonymous: ABC2D2E9F11
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -692.7094074600001
  • Final energy per atom: -6.660667379423078
  • 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.