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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200976

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-1200976
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Sn', 'P', 'N', 'O']
  • Chemical System: N-O-P-Sn
  • Density: 3.6044575354988444
  • Atomic Density: 0.060884431608994614
  • Unit Cell Volume: 558.4350399844595
  • Molar Volume: 9.891101223831305
  • Full Formula: Sn6 P4 N4 O20
  • Reduced Formula: Sn3P2(NO5)2
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -227.67784526
  • Final energy per atom: -6.696407213529412
  • 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.