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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209397

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-1209397
  • 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: 116
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'Cl']
  • Chemical System: Cl-P-Sn
  • Density: 2.16719286242828
  • Atomic Density: 0.032041891019459603
  • Unit Cell Volume: 3620.2607370941737
  • Molar Volume: 18.79458598851937
  • Full Formula: Sn8 P12 Cl96
  • Reduced Formula: Sn2(PCl8)3
  • Formula Anonymous: A2B3C24
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -412.35568608
  • Final energy per atom: -3.5547903972413795
  • 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.