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{
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"spacegroup": 62
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{
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"structure_string": "Tb2 Fe17 C1\n1.0\n-4.296438 2.472645 4.125818\n0.000000 -4.931897 4.117773\n4.296438 2.472645 4.125818\nTb Fe C\n2 17 1\ndirect\n0.660612 0.649628 0.660612 Tb\n0.339388 0.350372 0.339388 Tb\n0.714667 0.000000 0.285333 Fe\n0.000484 0.289960 0.710701 Fe\n0.289299 0.710040 0.999516 Fe\n0.999516 0.710040 0.289299 Fe\n0.710701 0.289960 0.000484 Fe\n0.285333 0.000000 0.714667 Fe\n0.343467 0.849701 0.343467 Fe\n0.849972 0.344452 0.343242 Fe\n0.343242 0.344452 0.849972 Fe\n0.656533 0.150299 0.656533 Fe\n0.150028 0.655548 0.656758 Fe\n0.656758 0.655548 0.150028 Fe\n0.902608 0.902361 0.902608 Fe\n0.097392 0.097639 0.097392 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 C\n",
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{
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{
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{
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{
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{
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{
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{
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{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.75094669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0001307,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.581000Z",
"spacegroup": 140
},
{
"id": "mp-10847",
"created_at": "2022-09-04T14:44:58.292387Z",
"structure_string": "Ni4 Sb4 Se4\n1.0\n6.121533 0.000000 0.000000\n0.000000 6.121533 0.000000\n0.000000 0.000000 6.121533\nNi Sb Se\n4 4 4\ndirect\n0.990493 0.990493 0.990493 Ni\n0.509507 0.009507 0.490493 Ni\n0.490493 0.509507 0.009507 Ni\n0.009507 0.490493 0.509507 Ni\n0.368654 0.131346 0.868654 Sb\n0.868654 0.368654 0.131346 Sb\n0.631346 0.631346 0.631346 Sb\n0.131346 0.868654 0.368654 Sb\n0.875351 0.124649 0.624649 Se\n0.124649 0.624649 0.875351 Se\n0.624649 0.875351 0.124649 Se\n0.375351 0.375351 0.375351 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"Se"
],
"chemical_system": "Ni-Sb-Se",
"density": 7.5114003405461265,
"density_atomic": 0.05231192009099707,
"volume": 229.39322393683676,
"volume_molar": 11.511985699481935,
"formula_full": "Ni4 Sb4 Se4",
"formula_reduced": "NiSbSe",
"formula_anonymous": "ABC",
"energy": -59.84375832,
"energy_per_atom": -4.98697986,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.18775832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.003000Z",
"spacegroup": 198
}
]
}