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  1. Third-Parties
  2. MatprojStructure
  3. mp-601383

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-601383
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['H', 'C', 'Se', 'N', 'O']
  • Chemical System: C-H-N-O-Se
  • Density: 1.4799127718777538
  • Atomic Density: 0.06988487895873809
  • Unit Cell Volume: 915.7918129583844
  • Molar Volume: 8.617230007017161
  • Full Formula: H28 C4 Se4 N12 O16
  • Reduced Formula: H7CSeN3O4
  • Formula Anonymous: ABC3D4E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -355.78926125000004
  • Final energy per atom: -5.559207207031251
  • 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.