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  1. Third-Parties
  2. MatprojStructure
  3. mp-745984

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-745984
  • 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: 104
  • Number of elements: 6
  • Element list: ['Sr', 'Re', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Re-Sr
  • Density: 3.407007505780858
  • Atomic Density: 0.07663173022621714
  • Unit Cell Volume: 1357.140178004485
  • Molar Volume: 7.858547291340832
  • Full Formula: Sr4 Re8 H32 C6 N12 O42
  • Reduced Formula: Sr2Re4H16C3(N2O7)3
  • Formula Anonymous: A2B3C4D6E16F21
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -738.9951773500001
  • Final energy per atom: -7.105722859134616
  • 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.