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{
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{
"id": "mp-1208405",
"created_at": "2022-09-04T14:40:17.099265Z",
"structure_string": "Tb10 Si4 B16\n1.0\n7.257322 0.000000 0.000000\n0.000000 7.257322 0.000000\n0.000000 0.000000 8.141753\nTb Si B\n10 4 16\ndirect\n0.680424 0.180424 0.224269 Tb\n0.319576 0.819576 0.775731 Tb\n0.319576 0.819576 0.224269 Tb\n0.819576 0.680424 0.224269 Tb\n0.819576 0.680424 0.775731 Tb\n0.680424 0.180424 0.775731 Tb\n0.180424 0.319576 0.775731 Tb\n0.180424 0.319576 0.224269 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.114401 0.614401 0.500000 Si\n0.885599 0.385599 0.500000 Si\n0.385599 0.114401 0.500000 Si\n0.614401 0.885599 0.500000 Si\n0.172473 0.039131 0.000000 B\n0.827527 0.960869 0.000000 B\n0.960869 0.172473 0.000000 B\n0.327527 0.539131 0.000000 B\n0.039131 0.827527 0.000000 B\n0.672473 0.460869 0.000000 B\n0.539131 0.672473 0.000000 B\n0.460869 0.327527 0.000000 B\n0.090053 0.590053 0.000000 B\n0.909947 0.409947 0.000000 B\n0.409947 0.090053 0.000000 B\n0.590053 0.909947 0.000000 B\n0.000000 0.000000 0.161274 B\n0.000000 0.000000 0.838726 B\n0.500000 0.500000 0.838726 B\n0.500000 0.500000 0.161274 B\n",
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"formula_full": "Tb10 Si4 B16",
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"spacegroup": 127
},
{
"id": "mp-1217831",
"created_at": "2022-09-04T14:42:19.411913Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n4.380938 -7.588008 0.000000\n4.380938 7.588008 0.000000\n0.000000 0.000000 6.399106\nTb Si Sb\n10 3 3\ndirect\n0.757042 0.000000 0.000000 Tb\n0.000000 0.757042 0.000000 Tb\n0.242958 0.242958 0.000000 Tb\n0.243469 0.000000 0.500000 Tb\n0.000000 0.243469 0.500000 Tb\n0.756531 0.756531 0.500000 Tb\n0.333333 0.666667 0.259656 Tb\n0.666667 0.333333 0.259656 Tb\n0.666667 0.333333 0.740344 Tb\n0.333333 0.666667 0.740344 Tb\n0.608890 0.000000 0.500000 Si\n0.000000 0.608890 0.500000 Si\n0.391110 0.391110 0.500000 Si\n0.394436 0.000000 0.000000 Sb\n0.000000 0.394436 0.000000 Sb\n0.605564 0.605564 0.000000 Sb\n",
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"formula_full": "Tb10 Si3 Sb3",
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{
"id": "mp-16230",
"created_at": "2022-09-04T14:46:12.556111Z",
"structure_string": "Tb10 Sb6\n1.0\n4.518149 -7.825663 0.000000\n4.518149 7.825663 0.000000\n0.000000 0.000000 6.334465\nTb Sb\n10 6\ndirect\n0.000000 0.752728 0.750000 Tb\n0.000000 0.247272 0.250000 Tb\n0.752728 0.752728 0.250000 Tb\n0.752728 0.000000 0.750000 Tb\n0.247272 0.247272 0.750000 Tb\n0.247272 0.000000 0.250000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.000000 Tb\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.000000 Tb\n0.388319 0.000000 0.750000 Sb\n0.388319 0.388319 0.250000 Sb\n0.000000 0.611681 0.250000 Sb\n0.000000 0.388319 0.750000 Sb\n0.611681 0.611681 0.750000 Sb\n0.611681 0.000000 0.250000 Sb\n",
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"density": 8.5996453564871,
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"formula_full": "Tb10 Sb6",
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{
"id": "mp-1208407",
"created_at": "2022-09-04T14:42:06.496238Z",
"structure_string": "Tb10 Sb2 Pt4\n1.0\n-3.898273 3.898273 6.855757\n3.898273 -3.898273 6.855757\n3.898273 3.898273 -6.855757\nTb Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.796880 0.296880 0.816963 Tb\n0.203120 0.703120 0.183037 Tb\n0.479918 0.979918 0.183037 Tb\n0.296880 0.479918 0.500000 Tb\n0.020082 0.203120 0.500000 Tb\n0.520082 0.020082 0.816963 Tb\n0.703120 0.520082 0.500000 Tb\n0.979918 0.796880 0.500000 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136847 0.636847 0.773694 Pt\n0.863153 0.363153 0.226306 Pt\n0.636847 0.863153 0.500000 Pt\n0.363153 0.136847 0.500000 Pt\n",
"nsites": 16,
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{
"id": "mp-1208413",
"created_at": "2022-09-04T14:44:40.810204Z",
"structure_string": "Tb10 Sb2 Pd4\n1.0\n-3.914933 3.914933 6.798345\n3.914933 -3.914933 6.798345\n3.914933 3.914933 -6.798345\nTb Sb Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.798993 0.298993 0.813124 Tb\n0.201007 0.701007 0.186876 Tb\n0.485870 0.985870 0.186876 Tb\n0.298993 0.485870 0.500000 Tb\n0.014130 0.201007 0.500000 Tb\n0.514130 0.014130 0.813124 Tb\n0.701007 0.514130 0.500000 Tb\n0.985870 0.798993 0.500000 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136548 0.636548 0.773097 Pd\n0.863452 0.363452 0.226903 Pd\n0.636548 0.863452 0.500000 Pd\n0.363452 0.136548 0.500000 Pd\n",
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{
"id": "mp-1179018",
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{
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{
"id": "mp-1104420",
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{
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"created_at": "2022-09-04T14:40:55.713705Z",
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{
"id": "mp-1105543",
"created_at": "2022-09-04T14:45:56.079247Z",
"structure_string": "Tb10 Pt6\n1.0\n4.225890 -7.319456 0.000000\n4.225890 7.319456 0.000000\n0.000000 0.000000 6.293471\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.752979 0.752979 0.750000 Tb\n0.247021 0.000000 0.750000 Tb\n0.000000 0.247021 0.750000 Tb\n0.247021 0.247021 0.250000 Tb\n0.752979 0.000000 0.250000 Tb\n0.000000 0.752979 0.250000 Tb\n0.393949 0.393949 0.750000 Pt\n0.606051 0.000000 0.750000 Pt\n0.000000 0.606051 0.750000 Pt\n0.606051 0.606051 0.250000 Pt\n0.393949 0.000000 0.250000 Pt\n0.000000 0.393949 0.250000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 11.770713691742253,
"density_atomic": 0.041096303408876995,
"volume": 389.3294207221549,
"volume_molar": 14.653728584987986,
"formula_full": "Tb10 Pt6",
"formula_reduced": "Tb5Pt3",
"formula_anonymous": "A3B5",
"energy": -98.46586118,
"energy_per_atom": -6.15411632375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.46586118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.733000Z",
"spacegroup": 193
},
{
"id": "mp-1105825",
"created_at": "2022-09-04T14:39:43.880904Z",
"structure_string": "Tb10 Pb6\n1.0\n4.542203 -7.867327 0.000000\n4.542203 7.867327 0.000000\n0.000000 0.000000 6.678852\nTb Pb\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.761089 0.761089 0.750000 Tb\n0.238911 0.000000 0.750000 Tb\n0.000000 0.238911 0.750000 Tb\n0.238911 0.238911 0.250000 Tb\n0.761089 0.000000 0.250000 Tb\n0.000000 0.761089 0.250000 Tb\n0.394223 0.394223 0.750000 Pb\n0.605777 0.000000 0.750000 Pb\n0.000000 0.605777 0.750000 Pb\n0.605777 0.605777 0.250000 Pb\n0.394223 0.000000 0.250000 Pb\n0.000000 0.394223 0.250000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Pb"
],
"chemical_system": "Pb-Tb",
"density": 9.853404899412654,
"density_atomic": 0.033519260268198035,
"volume": 477.33750303494224,
"volume_molar": 17.966210208145935,
"formula_full": "Tb10 Pb6",
"formula_reduced": "Tb5Pb3",
"formula_anonymous": "A3B5",
"energy": -77.30946847,
"energy_per_atom": -4.831841779375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.30946847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.288000Z",
"spacegroup": 193
}
]
}