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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189908

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-1189908
  • 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: 18
  • Number of elements: 5
  • Element list: ['Ce', 'P', 'N', 'O', 'F']
  • Chemical System: Ce-F-N-O-P
  • Density: 3.5340391369367556
  • Atomic Density: 0.06671836388928888
  • Unit Cell Volume: 269.7907884831954
  • Molar Volume: 9.026211688873277
  • Full Formula: Ce2 P2 N2 O8 F4
  • Reduced Formula: CePN(O2F)2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -126.04135413
  • Final energy per atom: -7.002297451666667
  • 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.