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  1. Third-Parties
  2. MatprojStructure
  3. mp-13039

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-13039
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Tm', 'C', 'N', 'O']
  • Chemical System: C-N-O-Tm
  • Density: 7.1962380530221655
  • Atomic Density: 0.07400920555946601
  • Unit Cell Volume: 94.58282854253228
  • Molar Volume: 8.137015813743929
  • Full Formula: Tm2 C1 N2 O2
  • Reduced Formula: Tm2C(NO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -62.45620622
  • Final energy per atom: -8.922315174285714
  • 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.