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"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.664817 -0.019291 -2.468630\n-2.855415 8.823996 -1.593473\n0.086996 -0.280921 9.595844\nSr Mg Te O\n6 1 8 22\ndirect\n0.281888 0.045936 0.151476 Sr\n0.772031 0.966926 0.883884 Sr\n0.828615 0.068860 0.304524 Sr\n0.100349 0.937777 0.640807 Sr\n0.305450 0.505821 0.614364 Sr\n0.701281 0.484451 0.384054 Sr\n0.387134 0.864124 0.864775 Mg\n0.079898 0.363293 0.206309 Te\n0.925184 0.644411 0.790309 Te\n0.049633 0.276092 0.785718 Te\n0.953217 0.716399 0.198603 Te\n0.502083 0.722708 0.096459 Te\n0.537386 0.290550 0.954050 Te\n0.474229 0.804079 0.472096 Te\n0.544051 0.207672 0.571011 Te\n0.998737 0.533818 0.647005 O\n0.004365 0.463383 0.354681 O\n0.412082 0.589595 0.392898 O\n0.601276 0.422593 0.631697 O\n0.849204 0.202042 0.097452 O\n0.140030 0.822169 0.869863 O\n0.745368 0.171454 0.712957 O\n0.296701 0.861446 0.334281 O\n0.367661 0.798058 0.628999 O\n0.614211 0.193877 0.399818 O\n0.029477 0.174030 0.587859 O\n0.928576 0.813125 0.379106 O\n0.474054 0.287452 0.125715 O\n0.524919 0.714385 0.892529 O\n0.507798 0.939726 0.094130 O\n0.432742 0.075196 0.840674 O\n0.939307 0.882062 0.110317 O\n0.060139 0.112126 0.870976 O\n0.189246 0.246022 0.322410 O\n0.796937 0.748430 0.667175 O\n0.703645 0.569419 0.120004 O\n0.332762 0.351922 0.834349 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Mg-O-Sr-Te",
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"density_atomic": 0.05736734740164815,
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"volume_molar": 10.497506042656916,
"formula_full": "Sr6 Mg1 Te8 O22",
"formula_reduced": "Sr6Mg(Te4O11)2",
"formula_anonymous": "AB6C8D22",
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"energy_per_atom": -6.127620031351351,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -211.60794116,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.056000Z",
"spacegroup": 1
},
{
"id": "mp-1219305",
"created_at": "2022-09-04T14:45:55.891763Z",
"structure_string": "Si3 Ni1 Mo12\n1.0\n4.924562 0.000000 0.000000\n0.000000 4.923440 0.000000\n0.000000 0.000000 9.854980\nSi Ni Mo\n3 1 12\ndirect\n0.500000 0.500000 0.750000 Si\n0.000000 0.000000 0.000013 Si\n0.000000 0.000000 0.499987 Si\n0.500000 0.500000 0.250000 Ni\n0.000000 0.500000 0.375378 Mo\n0.000000 0.500000 0.874441 Mo\n0.500000 0.249720 0.000514 Mo\n0.500000 0.249720 0.499486 Mo\n0.750163 0.000000 0.250000 Mo\n0.749251 0.000000 0.750000 Mo\n0.000000 0.500000 0.124622 Mo\n0.000000 0.500000 0.625559 Mo\n0.500000 0.750280 0.000514 Mo\n0.500000 0.750280 0.499486 Mo\n0.249837 0.000000 0.250000 Mo\n0.250749 0.000000 0.750000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ni",
"Mo"
],
"chemical_system": "Mo-Ni-Si",
"density": 8.994323831536398,
"density_atomic": 0.06696193209352128,
"volume": 238.94173151476372,
"volume_molar": 8.99337962887522,
"formula_full": "Si3 Ni1 Mo12",
"formula_reduced": "Si3NiMo12",
"formula_anonymous": "AB3C12",
"energy": -155.88166531,
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"energy_uncorrected": -155.88166531,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.879000Z",
"spacegroup": 47
},
{
"id": "mp-38240",
"created_at": "2022-09-04T14:45:55.911625Z",
"structure_string": "Sr2 Pr4 S8\n1.0\n-4.371954 4.371954 4.372862\n4.371954 -4.371954 4.372862\n4.371954 4.371954 -4.372862\nSr Pr S\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.875000 0.497693 0.122693 Pr\n0.375000 0.752307 0.877307 Pr\n0.247693 0.125000 0.622693 Pr\n0.502307 0.625000 0.377307 Pr\n0.615727 0.018530 0.749182 S\n0.616545 0.519349 0.750818 S\n0.134273 0.383455 0.902803 S\n0.768530 0.865727 0.249182 S\n0.981470 0.730651 0.597197 S\n0.269349 0.866545 0.250818 S\n0.133455 0.384273 0.402803 S\n0.480651 0.231470 0.097197 S\n",
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"elements": [
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"Pr",
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],
"chemical_system": "Pr-S-Sr",
"density": 4.943854737852983,
"density_atomic": 0.04187464176785,
"volume": 334.3312183448635,
"volume_molar": 14.381354695250444,
"formula_full": "Sr2 Pr4 S8",
"formula_reduced": "Sr(PrS2)2",
"formula_anonymous": "AB2C4",
"energy": -88.73190911,
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"updated_at": "2021-11-28T01:37:12.279000Z",
"spacegroup": 122
}
]
}