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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202064

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-1202064
  • 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: 46
  • Number of elements: 5
  • Element list: ['Cu', 'Pb', 'Se', 'N', 'O']
  • Chemical System: Cu-N-O-Pb-Se
  • Density: 4.713377700467433
  • Atomic Density: 0.06432218233301015
  • Unit Cell Volume: 715.1498648140985
  • Molar Volume: 9.362463370446678
  • Full Formula: Cu6 Pb4 Se4 N4 O28
  • Reduced Formula: Cu3Pb2Se2(NO7)2
  • Formula Anonymous: A2B2C2D3E14
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -277.74780537
  • Final energy per atom: -6.037995768913043
  • 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.