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{
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{
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"formula_full": "Ho1 Cr2 Si2 C1",
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{
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{
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"formula_full": "Cr4 Se8",
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{
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"elements": [
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"formula_full": "H16 N4 Cl4 O16",
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{
"id": "mp-867293",
"created_at": "2022-09-04T14:39:10.126292Z",
"structure_string": "Li1 Co2 Si1\n1.0\n0.000000 2.738979 2.738979\n2.738979 0.000000 2.738979\n2.738979 2.738979 0.000000\nLi Co Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Li1 Co2 Si1",
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{
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"structure_string": "Sm2 B8 Ir4 Os4\n1.0\n0.000000 0.000000 4.009435\n7.611137 0.000000 0.000000\n0.000000 7.611137 0.000000\nSm B Ir Os\n2 8 4 4\ndirect\n0.248793 0.250000 0.250000 Sm\n0.748793 0.750000 0.750000 Sm\n0.363066 0.911852 0.034792 B\n0.363066 0.588148 0.465208 B\n0.863066 0.534792 0.088148 B\n0.863066 0.965208 0.411852 B\n0.640537 0.088863 0.972785 B\n0.640537 0.411137 0.527215 B\n0.140537 0.472785 0.911137 B\n0.140537 0.027215 0.588863 B\n0.135956 0.404798 0.640220 Ir\n0.135956 0.095202 0.859780 Ir\n0.635956 0.140220 0.595202 Ir\n0.635956 0.359780 0.904798 Ir\n0.861045 0.603716 0.358821 Os\n0.861045 0.896284 0.141179 Os\n0.361045 0.858821 0.396284 Os\n0.361045 0.641179 0.103716 Os\n",
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{
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{
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{
"id": "mp-1104138",
"created_at": "2022-09-04T14:39:10.143809Z",
"structure_string": "Dy1 Mo6 Se8\n1.0\n4.824526 -4.765608 0.000000\n4.824526 4.765608 0.000000\n0.117115 0.000000 6.780365\nDy Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.766153 0.576956 0.441236 Mo\n0.441236 0.766153 0.576956 Mo\n0.576956 0.441236 0.766153 Mo\n0.233847 0.423044 0.558764 Mo\n0.558764 0.233847 0.423044 Mo\n0.423044 0.558764 0.233847 Mo\n0.763347 0.763347 0.763347 Se\n0.236653 0.236653 0.236653 Se\n0.244223 0.630035 0.877534 Se\n0.877534 0.244223 0.630035 Se\n0.630035 0.877534 0.244223 Se\n0.755777 0.369965 0.122466 Se\n0.122466 0.755777 0.369965 Se\n0.369965 0.122466 0.755777 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"Se"
],
"chemical_system": "Dy-Mo-Se",
"density": 7.29552523263743,
"density_atomic": 0.04810998512679465,
"volume": 311.78558797029876,
"volume_molar": 12.517444651310011,
"formula_full": "Dy1 Mo6 Se8",
"formula_reduced": "Dy(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -111.90206059,
"energy_per_atom": -7.460137372666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.12606059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2628184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.363000Z",
"spacegroup": 148
}
]
}