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  1. Third-Parties
  2. MatprojStructure
  3. mp-1002346

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-1002346
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Sm', 'H', 'N', 'O']
  • Chemical System: H-N-O-Sm
  • Density: 2.3511259348414213
  • Atomic Density: 0.086797878396311
  • Unit Cell Volume: 622.1350221654156
  • Molar Volume: 6.938119768899728
  • Full Formula: Sm2 H16 N6 O30
  • Reduced Formula: SmH8(NO5)3
  • Formula Anonymous: AB3C8D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -209.58546517
  • Final energy per atom: -3.8812123179629627
  • 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.