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  1. Third-Parties
  2. MatprojStructure
  3. mp-696152

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-696152
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Cu', 'Sn', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-O-Sn
  • Density: 2.898548380078659
  • Atomic Density: 0.1206241226822669
  • Unit Cell Volume: 182.38474619168565
  • Molar Volume: 4.992484609287295
  • Full Formula: Cu1 Sn1 H12 N2 O6
  • Reduced Formula: CuSnH12(NO3)2
  • Formula Anonymous: ABC2D6E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -118.10780255
  • Final energy per atom: -5.368536479545455
  • 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.