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  1. Third-Parties
  2. MatprojStructure
  3. mp-579909

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-579909
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 1
  • Element list: ['C']
  • Chemical System: C
  • Density: 1.8878853303336278
  • Atomic Density: 0.09465818979690714
  • Unit Cell Volume: 84.51461006347485
  • Molar Volume: 6.361985975984476
  • Full Formula: C8
  • Reduced Formula: C
  • Formula Anonymous: A
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -66.26931423
  • Final energy per atom: -8.28366427875
  • 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.