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{
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{
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{
"id": "mp-1018166",
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{
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"created_at": "2022-09-04T14:39:30.966629Z",
"structure_string": "Al2 Tc6\n1.0\n2.708800 -4.691779 0.000000\n2.708800 4.691779 0.000000\n0.000000 0.000000 4.565021\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.170878 0.341757 0.250000 Tc\n0.658243 0.829122 0.250000 Tc\n0.170878 0.829122 0.250000 Tc\n0.829122 0.658243 0.750000 Tc\n0.341757 0.170878 0.750000 Tc\n0.829122 0.170878 0.750000 Tc\n",
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{
"id": "mp-14506",
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"structure_string": "Al14 Te20\n1.0\n7.427328 -7.408419 0.000000\n7.427328 7.408419 0.000000\n0.037770 0.000000 10.490398\nAl Te\n14 20\ndirect\n0.845891 0.889686 0.579082 Al\n0.579082 0.845891 0.889686 Al\n0.889686 0.579082 0.845891 Al\n0.154109 0.420918 0.110314 Al\n0.110314 0.154109 0.420918 Al\n0.420918 0.110314 0.154109 Al\n0.741844 0.163242 0.346816 Al\n0.346816 0.741844 0.163242 Al\n0.163242 0.346816 0.741844 Al\n0.258156 0.653184 0.836758 Al\n0.836758 0.258156 0.653184 Al\n0.653184 0.836758 0.258156 Al\n0.571842 0.571842 0.571842 Al\n0.428158 0.428158 0.428158 Al\n0.422064 0.922954 0.328825 Te\n0.922954 0.328825 0.422064 Te\n0.328825 0.422064 0.922954 Te\n0.077046 0.577936 0.671175 Te\n0.577936 0.671175 0.077046 Te\n0.671175 0.077046 0.577936 Te\n0.758188 0.692204 0.440302 Te\n0.440302 0.758188 0.692204 Te\n0.692204 0.440302 0.758188 Te\n0.241812 0.559698 0.307796 Te\n0.307796 0.241812 0.559698 Te\n0.559698 0.307796 0.241812 Te\n0.500000 0.079350 0.920650 Te\n0.920650 0.500000 0.079350 Te\n0.079350 0.920650 0.500000 Te\n0.000000 0.180732 0.819268 Te\n0.819268 0.000000 0.180732 Te\n0.180732 0.819268 0.000000 Te\n0.830413 0.830413 0.830413 Te\n0.169587 0.169587 0.169587 Te\n",
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"volume": 1154.4632199128516,
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"formula_full": "Al14 Te20",
"formula_reduced": "Al7Te10",
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"updated_at": "2021-11-28T01:37:26.141000Z",
"spacegroup": 155
},
{
"id": "mp-1247924",
"created_at": "2022-09-04T14:45:21.573222Z",
"structure_string": "Al4 Te6\n1.0\n8.969579 0.000004 8.969579\n4.484789 3.661817 4.484789\n-2.101352 0.000001 8.081071\nAl Te\n4 6\ndirect\n0.145983 0.343750 0.534901 Al\n0.370501 0.666667 0.888497 Al\n0.496050 0.316599 0.534901 Al\n0.823066 0.339650 0.534901 Al\n0.011888 0.369499 0.887054 Te\n0.212373 0.666667 0.362881 Te\n0.386338 0.292216 0.887054 Te\n0.539633 0.666667 0.381102 Te\n0.714720 0.338283 0.887054 Te\n0.882782 0.666667 0.351655 Te\n",
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},
{
"id": "mp-9254",
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"structure_string": "Al2 Te5\n1.0\n2.096733 7.510469 0.000000\n-2.096733 7.510469 0.000000\n0.000000 6.661046 8.185726\nAl Te\n2 5\ndirect\n0.633880 0.633880 0.599129 Al\n0.366120 0.366120 0.400871 Al\n0.426380 0.426380 0.874290 Te\n0.573620 0.573620 0.125710 Te\n0.000000 0.000000 0.000000 Te\n0.812338 0.812338 0.600455 Te\n0.187662 0.187662 0.399545 Te\n",
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{
"id": "mp-1228524",
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"structure_string": "Al4 Te6\n1.0\n3.700443 6.490961 0.000000\n-3.700443 6.490961 0.000000\n0.000000 4.124847 6.958114\nAl Te\n4 6\ndirect\n0.179569 0.983588 0.497412 Al\n0.811174 0.676216 0.505938 Al\n0.983588 0.179569 0.997412 Al\n0.676216 0.811174 0.005938 Al\n0.296622 0.136668 0.112323 Te\n0.979088 0.781990 0.120260 Te\n0.616739 0.454942 0.139018 Te\n0.136668 0.296622 0.612323 Te\n0.781990 0.979088 0.620260 Te\n0.454942 0.616739 0.639018 Te\n",
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{
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"structure_string": "Al16 Te24\n1.0\n13.135129 0.000000 0.000000\n0.000000 7.281809 0.000000\n0.000000 0.014254 15.324951\nAl Te\n16 24\ndirect\n0.250568 0.420099 0.307678 Al\n0.750568 0.579901 0.192322 Al\n0.749432 0.579901 0.692322 Al\n0.249432 0.420099 0.807678 Al\n0.093745 0.930991 0.317835 Al\n0.593745 0.069009 0.182165 Al\n0.906255 0.069009 0.682165 Al\n0.406255 0.930991 0.817835 Al\n0.409988 0.921088 0.302787 Al\n0.909988 0.078912 0.197213 Al\n0.590012 0.078912 0.697213 Al\n0.090012 0.921088 0.802787 Al\n0.067419 0.569162 0.188838 Al\n0.567419 0.430838 0.311162 Al\n0.932581 0.430838 0.811162 Al\n0.432581 0.569162 0.688838 Al\n0.257735 0.089542 0.388958 Te\n0.757735 0.910458 0.111042 Te\n0.742265 0.910458 0.611042 Te\n0.242265 0.089542 0.888958 Te\n0.236708 0.418601 0.140189 Te\n0.736708 0.581399 0.359811 Te\n0.763292 0.581399 0.859811 Te\n0.263292 0.418601 0.640189 Te\n0.084164 0.923994 0.142212 Te\n0.584164 0.076006 0.357788 Te\n0.915836 0.076006 0.857788 Te\n0.415836 0.923994 0.642212 Te\n0.424039 0.916880 0.135071 Te\n0.924039 0.083120 0.364929 Te\n0.575961 0.083120 0.864929 Te\n0.075961 0.916880 0.635071 Te\n0.406584 0.592123 0.386289 Te\n0.906584 0.407877 0.113711 Te\n0.593416 0.407877 0.613711 Te\n0.093416 0.592123 0.886289 Te\n0.077251 0.575666 0.364470 Te\n0.577251 0.424334 0.135530 Te\n0.922749 0.424334 0.635530 Te\n0.422749 0.575666 0.864470 Te\n",
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{
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},
{
"id": "mp-1008554",
"created_at": "2022-09-04T14:43:49.356177Z",
"structure_string": "Al3 V1\n1.0\n3.905352 0.000000 0.000000\n0.000000 3.905352 0.000000\n0.000000 0.000000 3.905352\nAl V\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"V"
],
"chemical_system": "Al-V",
"density": 3.6767798172815347,
"density_atomic": 0.0671551678553515,
"volume": 59.56354704697898,
"volume_molar": 8.967501612044744,
"formula_full": "Al3 V1",
"formula_reduced": "Al3V",
"formula_anonymous": "AB3",
"energy": -20.92185855,
"energy_per_atom": -5.2304646375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.92185855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1634256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.571000Z",
"spacegroup": 221
}
]
}