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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201046

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-1201046
  • 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: 34
  • Number of elements: 3
  • Element list: ['Se', 'N', 'O']
  • Chemical System: N-O-Se
  • Density: 2.826801250866235
  • Atomic Density: 0.06334131248994582
  • Unit Cell Volume: 536.7744788268609
  • Molar Volume: 9.507445493738224
  • Full Formula: Se6 N4 O24
  • Reduced Formula: Se3(NO6)2
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -198.80146676
  • Final energy per atom: -5.847101963529412
  • 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.