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"structure_string": "Tb42 Rh28\n1.0\n-5.647214 5.647214 12.693625\n5.647214 -5.647214 12.693625\n5.647214 5.647214 -12.693625\nTb Rh\n42 28\ndirect\n0.632560 0.504321 0.279525 Tb\n0.224795 0.353035 0.720475 Tb\n0.132560 0.853035 0.128239 Tb\n0.724795 0.004321 0.871761 Tb\n0.353035 0.632560 0.128239 Tb\n0.504321 0.224795 0.871761 Tb\n0.004321 0.132560 0.279525 Tb\n0.853035 0.724795 0.720475 Tb\n0.367440 0.495679 0.720475 Tb\n0.775205 0.646965 0.279525 Tb\n0.867440 0.146965 0.871761 Tb\n0.275205 0.995679 0.128239 Tb\n0.646965 0.367440 0.871761 Tb\n0.495679 0.775205 0.128239 Tb\n0.995679 0.867440 0.720475 Tb\n0.146965 0.275205 0.279525 Tb\n0.386849 0.516574 0.289729 Tb\n0.226845 0.097120 0.710271 Tb\n0.886849 0.597121 0.870275 Tb\n0.726845 0.016574 0.129725 Tb\n0.097120 0.386849 0.870275 Tb\n0.516574 0.226845 0.129725 Tb\n0.016574 0.886849 0.289729 Tb\n0.597121 0.726845 0.710271 Tb\n0.613151 0.483426 0.710271 Tb\n0.773155 0.902880 0.289729 Tb\n0.113151 0.402880 0.129725 Tb\n0.273155 0.983426 0.870275 Tb\n0.902880 0.613151 0.129725 Tb\n0.483426 0.773155 0.870275 Tb\n0.983426 0.113151 0.710271 Tb\n0.402879 0.273155 0.289729 Tb\n0.851108 0.351108 0.202215 Tb\n0.148892 0.648892 0.797785 Tb\n0.351108 0.148892 0.500000 Tb\n0.648892 0.851108 0.500000 Tb\n0.387282 0.887282 0.500000 Tb\n0.887282 0.387282 0.500000 Tb\n0.612718 0.112718 0.500000 Tb\n0.112718 0.612718 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.750000 0.250000 0.500000 Tb\n0.715124 0.215124 0.142331 Rh\n0.072792 0.572792 0.857669 Rh\n0.215124 0.072792 0.500000 Rh\n0.572792 0.715124 0.500000 Rh\n0.284876 0.784876 0.857669 Rh\n0.927208 0.427208 0.142331 Rh\n0.784876 0.927208 0.500000 Rh\n0.427208 0.284876 0.500000 Rh\n0.464961 0.964961 0.806362 Rh\n0.158599 0.658599 0.193638 Rh\n0.964961 0.158599 0.500000 Rh\n0.658599 0.464961 0.500000 Rh\n0.535039 0.035039 0.193638 Rh\n0.841401 0.341401 0.806362 Rh\n0.035039 0.841401 0.500000 Rh\n0.341401 0.535039 0.500000 Rh\n0.598016 0.098016 0.696032 Rh\n0.401984 0.901984 0.303968 Rh\n0.098016 0.401984 0.500000 Rh\n0.901984 0.598016 0.500000 Rh\n0.367842 0.367842 0.000000 Rh\n0.867842 0.867842 0.000000 Rh\n0.632158 0.632158 0.000000 Rh\n0.132158 0.132158 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.750000 0.750000 0.000000 Rh\n",
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"elements": [
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],
"chemical_system": "Rh-Tb",
"density": 9.799886171371302,
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"formula_reduced": "Tb3Rh2",
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"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -453.0463562,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:55.452000Z",
"spacegroup": 140
},
{
"id": "mp-768",
"created_at": "2022-09-04T14:42:42.974378Z",
"structure_string": "Tm1 Al3\n1.0\n4.222585 0.000000 0.000000\n0.000000 4.222585 0.000000\n0.000000 0.000000 4.222585\nTm Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n",
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"elements": [
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],
"chemical_system": "Al-Tm",
"density": 5.511164219060137,
"density_atomic": 0.05312816175419218,
"volume": 75.28963675624203,
"volume_molar": 11.335119757883982,
"formula_full": "Tm1 Al3",
"formula_reduced": "TmAl3",
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"is_magnetic": false,
"total_magnetization": 2.9e-06,
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"updated_at": "2021-11-28T01:35:54.022000Z",
"spacegroup": 221
},
{
"id": "mp-1245503",
"created_at": "2022-09-04T14:42:46.986495Z",
"structure_string": "Zr4 S3 N2\n1.0\n6.329128 -0.057973 -0.045434\n0.995009 3.349137 0.000000\n5.913874 -1.756977 7.288204\nZr S N\n4 3 2\ndirect\n0.232877 0.883561 0.654695 Zr\n0.767123 0.116439 0.345305 Zr\n0.594140 0.702929 0.098153 Zr\n0.405860 0.297071 0.901847 Zr\n0.000000 0.000000 0.000000 S\n0.823478 0.588260 0.741016 S\n0.176522 0.411740 0.258984 S\n0.542115 0.728943 0.365293 N\n0.457885 0.271057 0.634707 N\n",
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"elements": [
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],
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"density": 5.209981970815563,
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"volume": 155.88863232070187,
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"formula_full": "Zr4 S3 N2",
"formula_reduced": "Zr4S3N2",
"formula_anonymous": "A2B3C4",
"energy": -78.77950913,
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"updated_at": "2021-11-28T01:35:49.765000Z",
"spacegroup": 12
}
]
}