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  1. Third-Parties
  2. MatprojStructure
  3. mp-998901

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-998901
  • 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: 2
  • Number of elements: 2
  • Element list: ['Th', 'C']
  • Chemical System: C-Th
  • Density: 12.449017226025996
  • Atomic Density: 0.061438324115804736
  • Unit Cell Volume: 32.55297127295028
  • Molar Volume: 9.80192875809715
  • Full Formula: Th1 C1
  • Reduced Formula: ThC
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -15.90485875
  • Final energy per atom: -7.952429375
  • 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.