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{
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"results": [
{
"id": "mp-1217831",
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"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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{
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"formula_full": "Tb10 Sb6",
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"updated_at": "2021-11-28T01:37:23.173000Z",
"spacegroup": 193
},
{
"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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"elements": [
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"density": 10.412303040003707,
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"volume": 416.7349330289995,
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"formula_full": "Tb10 Sb2 Pt4",
"formula_reduced": "Tb5SbPt2",
"formula_anonymous": "AB2C5",
"energy": -94.57609058,
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"spacegroup": 140
},
{
"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",
"nsites": 16,
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"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Tb",
"density": 8.998049773083482,
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"volume": 416.7847879734893,
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"formula_full": "Tb10 Sb2 Pd4",
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"formula_anonymous": "AB2C5",
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"spacegroup": 140
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{
"id": "mp-1179018",
"created_at": "2022-09-04T14:41:19.484721Z",
"structure_string": "Tb10 Sb2 Au4\n1.0\n-4.076382 4.076382 6.514491\n4.076382 -4.076382 6.514491\n4.076382 4.076382 -6.514491\nTb Sb Au\n10 2 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.514954 0.014954 0.814022 Tb\n0.200931 0.700931 0.185978 Tb\n0.014954 0.200931 0.500000 Tb\n0.700931 0.514954 0.500000 Tb\n0.485046 0.985046 0.185978 Tb\n0.799069 0.299069 0.814022 Tb\n0.985046 0.799069 0.500000 Tb\n0.299069 0.485046 0.500000 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136273 0.636273 0.772545 Au\n0.863727 0.363727 0.227455 Au\n0.636273 0.863727 0.500000 Au\n0.363727 0.136273 0.500000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sb",
"Au"
],
"chemical_system": "Au-Sb-Tb",
"density": 10.050003100140952,
"density_atomic": 0.03695130258354164,
"volume": 433.0023268821519,
"volume_molar": 16.29750601182407,
"formula_full": "Tb10 Sb2 Au4",
"formula_reduced": "Tb5SbAu2",
"formula_anonymous": "AB2C5",
"energy": -79.72517789,
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},
{
"id": "mp-569081",
"created_at": "2022-09-04T14:45:18.102571Z",
"structure_string": "Tb10 Sb2 Au4\n1.0\n-3.709846 3.709846 8.712991\n3.709846 -3.709846 8.712991\n3.709846 3.709846 -8.712991\nTb Sb Au\n10 2 4\ndirect\n0.998553 0.498553 0.829508 Tb\n0.001447 0.501447 0.170492 Tb\n0.830955 0.001447 0.500000 Tb\n0.501447 0.330955 0.500000 Tb\n0.169045 0.998553 0.500000 Tb\n0.669045 0.169045 0.170492 Tb\n0.498553 0.669045 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.330955 0.830955 0.829508 Tb\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.127100 0.627100 0.754200 Au\n0.627100 0.872900 0.500000 Au\n0.372900 0.127100 0.500000 Au\n0.872900 0.372900 0.245800 Au\n",
"nsites": 16,
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],
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"density": 9.072300050151664,
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"volume": 479.66609387672577,
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"formula_full": "Tb10 Sb2 Au4",
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"formula_anonymous": "AB2C5",
"energy": -74.33870346,
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"updated_at": "2021-11-28T01:36:55.648000Z",
"spacegroup": 140
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{
"id": "mp-1104420",
"created_at": "2022-09-04T14:46:38.147024Z",
"structure_string": "Tb10 Ru4\n1.0\n0.000000 6.381871 0.000000\n0.009502 0.000000 7.310350\n7.867213 -3.190936 -0.982081\nTb Ru\n10 4\ndirect\n0.977577 0.915752 0.186674 Tb\n0.790903 0.584248 0.813326 Tb\n0.022423 0.084248 0.813326 Tb\n0.209097 0.415752 0.186674 Tb\n0.641139 0.814106 0.435165 Tb\n0.205974 0.685894 0.564835 Tb\n0.358861 0.185894 0.564835 Tb\n0.794026 0.314106 0.435165 Tb\n0.418799 0.750000 0.000000 Tb\n0.581201 0.250000 0.000000 Tb\n0.822517 0.575689 0.220110 Ru\n0.602407 0.924311 0.779890 Ru\n0.177483 0.424311 0.779890 Ru\n0.397593 0.075689 0.220110 Ru\n",
"nsites": 14,
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"elements": [
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"density": 9.0176852701357,
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"volume": 367.09423296118376,
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"formula_full": "Tb10 Ru4",
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{
"id": "mp-1105551",
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"structure_string": "Tb10 Rh6\n1.0\n4.166842 -7.217182 0.000000\n4.166842 7.217182 0.000000\n0.000000 0.000000 6.339215\nTb Rh\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\n0.744983 0.744983 0.750000 Tb\n0.255017 0.000000 0.750000 Tb\n0.000000 0.255017 0.750000 Tb\n0.255017 0.255017 0.250000 Tb\n0.744983 0.000000 0.250000 Tb\n0.000000 0.744983 0.250000 Tb\n0.392645 0.392645 0.750000 Rh\n0.607355 0.000000 0.750000 Rh\n0.000000 0.607355 0.750000 Rh\n0.607355 0.607355 0.250000 Rh\n0.392645 0.000000 0.250000 Rh\n0.000000 0.392645 0.250000 Rh\n",
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"volume": 381.2766133791995,
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"formula_full": "Tb10 Rh6",
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"updated_at": "2021-11-28T01:34:59.259000Z",
"spacegroup": 193
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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",
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"elements": [
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"volume": 389.3294207221549,
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"formula_full": "Tb10 Pt6",
"formula_reduced": "Tb5Pt3",
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"updated_at": "2021-11-28T01:37:15.733000Z",
"spacegroup": 193
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{
"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",
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"elements": [
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"spacegroup": 193
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{
"id": "mp-1208414",
"created_at": "2022-09-04T14:44:29.262196Z",
"structure_string": "Tb10 Ni4 Sb2\n1.0\n-3.828195 3.828195 6.673149\n3.828195 -3.828195 6.673149\n3.828195 3.828195 -6.673149\nTb Ni Sb\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.799270 0.299270 0.822636 Tb\n0.200730 0.700730 0.177364 Tb\n0.476634 0.976634 0.177364 Tb\n0.299270 0.476634 0.500000 Tb\n0.023366 0.200730 0.500000 Tb\n0.523366 0.023366 0.822636 Tb\n0.700730 0.523366 0.500000 Tb\n0.976634 0.799270 0.500000 Tb\n0.123809 0.623809 0.747617 Ni\n0.876191 0.376191 0.252383 Ni\n0.623809 0.876191 0.500000 Ni\n0.376191 0.123809 0.500000 Ni\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n",
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{
"id": "mp-1208428",
"created_at": "2022-09-04T14:46:22.956624Z",
"structure_string": "Tb10 Ni4 Bi2\n1.0\n-3.856298 3.856298 6.811127\n3.856298 -3.856298 6.811127\n3.856298 3.856298 -6.811127\nTb Ni Bi\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.789837 0.289837 0.812556 Tb\n0.210163 0.710163 0.187444 Tb\n0.477281 0.977281 0.187444 Tb\n0.289837 0.477281 0.500000 Tb\n0.022719 0.210163 0.500000 Tb\n0.522719 0.022719 0.812556 Tb\n0.710163 0.522719 0.500000 Tb\n0.977281 0.789837 0.500000 Tb\n0.133072 0.633072 0.766144 Ni\n0.866928 0.366928 0.233856 Ni\n0.633072 0.866928 0.500000 Ni\n0.366928 0.133072 0.500000 Ni\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Tb",
"density": 9.188872341300575,
"density_atomic": 0.039491155279905654,
"volume": 405.15401199572665,
"volume_molar": 15.249340560731214,
"formula_full": "Tb10 Ni4 Bi2",
"formula_reduced": "Tb5Ni2Bi",
"formula_anonymous": "AB2C5",
"energy": -84.40692007,
"energy_per_atom": -5.275432504375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.40692007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.435000Z",
"spacegroup": 140
}
]
}