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  1. Third-Parties
  2. MatprojStructure
  3. mp-866695

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-866695
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Re', 'Te', 'Se', 'Cl']
  • Chemical System: Cl-Re-Se-Te
  • Density: 4.118123942574492
  • Atomic Density: 0.032474050496776055
  • Unit Cell Volume: 862.2269033787384
  • Molar Volume: 18.544470640020293
  • Full Formula: Re4 Te4 Se4 Cl16
  • Reduced Formula: ReTeSeCl4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -134.38358297
  • Final energy per atom: -4.7994136775
  • 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.