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  1. Third-Parties
  2. MatprojStructure
  3. mp-572625

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-572625
  • 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: 54
  • Number of elements: 6
  • Element list: ['Cs', 'Sr', 'Cu', 'C', 'S', 'N']
  • Chemical System: C-Cs-Cu-N-S-Sr
  • Density: 2.768132033654675
  • Atomic Density: 0.044126461308704054
  • Unit Cell Volume: 1223.7555062986291
  • Molar Volume: 13.647459101398908
  • Full Formula: Cs6 Sr2 Cu4 C14 S14 N14
  • Reduced Formula: Cs3SrCu2C7(SN)7
  • Formula Anonymous: AB2C3D7E7F7
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -356.14805148
  • Final energy per atom: -6.595334286666667
  • 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.