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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212649

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-1212649
  • 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: 110
  • Number of elements: 6
  • Element list: ['K', 'Tm', 'P', 'H', 'N', 'O']
  • Chemical System: H-K-N-O-P-Tm
  • Density: 1.5541493215130353
  • Atomic Density: 0.05365990345899232
  • Unit Cell Volume: 2049.947780544622
  • Molar Volume: 11.22279462280846
  • Full Formula: K8 Tm2 P16 H36 N16 O32
  • Reduced Formula: K4TmP8H18(NO2)8
  • Formula Anonymous: AB4C8D8E16F18
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -550.5118694600001
  • Final energy per atom: -5.004653358727273
  • 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.