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{
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{
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{
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"structure_string": "Sm8 Cu4 As12 O4\n1.0\n3.991376 0.000000 0.000000\n0.000000 3.999568 0.000000\n0.000000 0.000000 34.822541\nSm Cu As O\n8 4 12 4\ndirect\n0.750000 0.751232 0.966883 Sm\n0.250000 0.251232 0.533117 Sm\n0.750000 0.748768 0.466883 Sm\n0.250000 0.248768 0.033117 Sm\n0.250000 0.307973 0.824177 Sm\n0.750000 0.807973 0.675823 Sm\n0.250000 0.192027 0.324177 Sm\n0.750000 0.692027 0.175823 Sm\n0.250000 0.808380 0.750036 Cu\n0.750000 0.308380 0.749964 Cu\n0.250000 0.691620 0.250036 Cu\n0.750000 0.191620 0.249964 Cu\n0.250000 0.830992 0.892979 As\n0.750000 0.330992 0.607021 As\n0.250000 0.669008 0.392979 As\n0.750000 0.169008 0.107021 As\n0.750000 0.251288 0.894095 As\n0.250000 0.751288 0.605905 As\n0.750000 0.248712 0.394095 As\n0.250000 0.748712 0.105905 As\n0.250000 0.309052 0.705477 As\n0.750000 0.809052 0.794523 As\n0.250000 0.190948 0.205477 As\n0.750000 0.690948 0.294523 As\n0.750000 0.251299 0.000135 O\n0.250000 0.751299 0.499865 O\n0.750000 0.248701 0.500135 O\n0.250000 0.748701 0.999865 O\n",
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{
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{
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"created_at": "2022-09-04T14:39:32.353519Z",
"structure_string": "Sm2 Mn12 P7\n1.0\n4.662162 -8.075102 0.000000\n4.662162 8.075102 0.000000\n0.000000 0.000000 3.629999\nSm Mn P\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.500000 Sm\n0.425478 0.047466 0.500000 Mn\n0.952534 0.378013 0.500000 Mn\n0.621987 0.574522 0.500000 Mn\n0.154353 0.273741 0.500000 Mn\n0.726259 0.880612 0.500000 Mn\n0.119388 0.845647 0.500000 Mn\n0.390273 0.434682 0.000000 Mn\n0.565318 0.955591 0.000000 Mn\n0.044409 0.609727 0.000000 Mn\n0.221863 0.100846 0.000000 Mn\n0.899154 0.121017 0.000000 Mn\n0.878983 0.778137 0.000000 Mn\n0.122432 0.404108 0.000000 P\n0.595892 0.718323 0.000000 P\n0.281677 0.877568 0.000000 P\n0.000000 0.000000 0.500000 P\n0.406653 0.288435 0.500000 P\n0.711565 0.118218 0.500000 P\n0.881782 0.593347 0.500000 P\n",
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{
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"structure_string": "Tb4 Co6 Ge10\n1.0\n5.895580 5.549014 0.000000\n-5.895580 5.549014 0.000000\n0.000000 2.821650 4.991253\nTb Co Ge\n4 6 10\ndirect\n0.592866 0.871489 0.767158 Tb\n0.128511 0.407134 0.732842 Tb\n0.407134 0.128511 0.232842 Tb\n0.871489 0.592866 0.267158 Tb\n0.542175 0.260755 0.617275 Co\n0.739245 0.457825 0.882725 Co\n0.457825 0.739245 0.382725 Co\n0.260755 0.542175 0.117275 Co\n0.997823 0.002177 0.750000 Co\n0.002177 0.997823 0.250000 Co\n0.492445 0.507555 0.750000 Ge\n0.507555 0.492445 0.250000 Ge\n0.261575 0.077322 0.828088 Ge\n0.922678 0.738425 0.671912 Ge\n0.738425 0.922678 0.171912 Ge\n0.077322 0.261575 0.328088 Ge\n0.785169 0.214831 0.750000 Ge\n0.214831 0.785169 0.250000 Ge\n0.225844 0.774156 0.750000 Ge\n0.774156 0.225844 0.250000 Ge\n",
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{
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"updated_at": "2021-11-28T01:34:46.985000Z",
"spacegroup": 194
},
{
"id": "mp-10060",
"created_at": "2022-09-04T14:39:24.682454Z",
"structure_string": "Dy1 B1 Pd3\n1.0\n4.319571 0.000000 0.000000\n0.000000 4.319571 0.000000\n0.000000 0.000000 4.319571\nDy B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"B",
"Pd"
],
"chemical_system": "B-Dy-Pd",
"density": 10.148365174039759,
"density_atomic": 0.062036623738577094,
"volume": 80.5975518762924,
"volume_molar": 9.707396046208697,
"formula_full": "Dy1 B1 Pd3",
"formula_reduced": "DyBPd3",
"formula_anonymous": "ABC3",
"energy": -29.96260226,
"energy_per_atom": -5.992520452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.96260226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006678,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.780000Z",
"spacegroup": 221
}
]
}