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"structure_string": "K8 Be8 Si12 O36\n1.0\n6.980918 0.000000 0.000000\n0.000000 10.314883 0.000000\n0.000000 3.522789 11.729780\nK Be Si O\n8 8 12 36\ndirect\n0.373740 0.540234 0.143914 K\n0.106720 0.062782 0.352308 K\n0.873740 0.459766 0.356086 K\n0.626260 0.459766 0.856086 K\n0.126260 0.540234 0.643914 K\n0.393280 0.062782 0.852308 K\n0.893280 0.937218 0.647692 K\n0.606720 0.937218 0.147692 K\n0.071939 0.064771 0.057519 Be\n0.928061 0.935229 0.942481 Be\n0.571939 0.935229 0.442481 Be\n0.090575 0.428881 0.958085 Be\n0.590575 0.571119 0.541915 Be\n0.428061 0.064771 0.557519 Be\n0.409425 0.428881 0.458085 Be\n0.909425 0.571119 0.041915 Be\n0.318148 0.742378 0.373420 Si\n0.885092 0.762156 0.419454 Si\n0.114908 0.237844 0.580546 Si\n0.614908 0.762156 0.919454 Si\n0.968687 0.241860 0.818519 Si\n0.181852 0.742378 0.873420 Si\n0.385092 0.237844 0.080546 Si\n0.818148 0.257622 0.126580 Si\n0.531313 0.241860 0.318519 Si\n0.031313 0.758140 0.181481 Si\n0.681852 0.257622 0.626580 Si\n0.468687 0.758140 0.681481 Si\n0.800425 0.621951 0.500004 O\n0.199575 0.378049 0.499996 O\n0.873469 0.764650 0.282052 O\n0.300425 0.378049 0.999996 O\n0.450891 0.872723 0.360035 O\n0.373469 0.235350 0.217948 O\n0.699575 0.621951 0.000004 O\n0.126531 0.235350 0.717948 O\n0.981195 0.101114 0.921939 O\n0.549109 0.127277 0.639965 O\n0.878878 0.240528 0.555087 O\n0.746046 0.258014 0.256397 O\n0.506788 0.623511 0.643618 O\n0.481195 0.898886 0.578061 O\n0.253954 0.741986 0.743603 O\n0.006788 0.376489 0.856382 O\n0.993212 0.623511 0.143618 O\n0.121122 0.759472 0.444913 O\n0.202640 0.101127 0.560418 O\n0.621122 0.240528 0.055087 O\n0.425634 0.598662 0.433626 O\n0.797360 0.898873 0.439582 O\n0.049109 0.872723 0.860035 O\n0.925634 0.401338 0.066374 O\n0.074366 0.598662 0.933626 O\n0.493212 0.376489 0.356382 O\n0.574366 0.401338 0.566374 O\n0.378878 0.759472 0.944913 O\n0.753954 0.258014 0.756397 O\n0.518805 0.101114 0.421939 O\n0.246046 0.741986 0.243603 O\n0.018805 0.898886 0.078061 O\n0.297360 0.101127 0.060418 O\n0.950891 0.127277 0.139965 O\n0.702640 0.898873 0.939582 O\n0.626531 0.764650 0.782052 O\n",
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"elements": [
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],
"chemical_system": "Be-K-O-Si",
"density": 2.5516416978366623,
"density_atomic": 0.07577278753350206,
"volume": 844.6304020648989,
"volume_molar": 7.9476299553284635,
"formula_full": "K8 Be8 Si12 O36",
"formula_reduced": "K2Be2(SiO3)3",
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"energy_uncorrected": -453.8689167,
"band_gap": 5.035,
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"is_magnetic": false,
"total_magnetization": 0.0054748,
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"updated_at": "2021-11-28T01:34:38.550000Z",
"spacegroup": 14
},
{
"id": "mp-3415",
"created_at": "2022-09-04T14:39:36.991409Z",
"structure_string": "Yb1 Si2 Ru2\n1.0\n-2.111143 2.111143 4.715890\n2.111143 -2.111143 4.715890\n2.111143 2.111143 -4.715890\nYb Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.634358 0.634358 0.000000 Si\n0.365642 0.365642 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"Si",
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],
"chemical_system": "Ru-Si-Yb",
"density": 8.51963414984932,
"density_atomic": 0.05947179453835271,
"volume": 84.0734677473967,
"volume_molar": 10.12604513912286,
"formula_full": "Yb1 Si2 Ru2",
"formula_reduced": "Yb(SiRu)2",
"formula_anonymous": "AB2C2",
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"energy_per_atom": -6.967718413999999,
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:32.473000Z",
"spacegroup": 139
},
{
"id": "mp-9719",
"created_at": "2022-09-04T14:39:43.230855Z",
"structure_string": "Na8 Li4 Al4 P8\n1.0\n5.801896 -6.827164 0.000000\n5.801896 6.827164 0.000000\n0.000000 0.000000 5.801392\nNa Li Al P\n8 4 4 8\ndirect\n0.568489 0.931511 0.250000 Na\n0.678230 0.321770 0.213996 Na\n0.321770 0.678230 0.786004 Na\n0.068489 0.431511 0.250000 Na\n0.931511 0.568489 0.750000 Na\n0.431511 0.068489 0.750000 Na\n0.821770 0.178230 0.713996 Na\n0.178230 0.821770 0.286004 Na\n0.881310 0.881310 0.500000 Li\n0.118690 0.118690 0.500000 Li\n0.618690 0.618690 0.000000 Li\n0.381310 0.381310 0.000000 Li\n0.870335 0.870335 0.000000 Al\n0.129665 0.129665 0.000000 Al\n0.370335 0.370335 0.500000 Al\n0.629665 0.629665 0.500000 Al\n0.104179 0.895821 0.786366 P\n0.604179 0.395821 0.713634 P\n0.895821 0.104179 0.213634 P\n0.395821 0.604179 0.286366 P\n0.351385 0.148615 0.250000 P\n0.148615 0.351385 0.750000 P\n0.648615 0.851385 0.750000 P\n0.851385 0.648615 0.250000 P\n",
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"elements": [
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],
"chemical_system": "Al-Li-Na-P",
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"volume": 459.5920234536306,
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"formula_full": "Na8 Li4 Al4 P8",
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}
]
}