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  1. Third-Parties
  2. MatprojStructure
  3. mp-736330

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-736330
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 6
  • Element list: ['Fe', 'Ge', 'H', 'C', 'S', 'N']
  • Chemical System: C-Fe-Ge-H-N-S
  • Density: 2.016850754353999
  • Atomic Density: 0.07299272319945752
  • Unit Cell Volume: 671.2997933520608
  • Molar Volume: 8.250330301479636
  • Full Formula: Fe1 Ge4 H24 C8 S10 N2
  • Reduced Formula: FeGe4H24C8(S5N)2
  • Formula Anonymous: AB2C4D8E10F24
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -255.7501716
  • Final energy per atom: -5.219391257142857
  • 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.