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{
"id": "mp-1104047",
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"structure_string": "Al12 Tc3\n1.0\n8.801280 2.600266 0.000000\n-8.801280 2.600266 0.000000\n0.000000 1.006754 5.071386\nAl Tc\n12 3\ndirect\n0.852176 0.852176 0.506248 Al\n0.506594 0.506594 0.145939 Al\n0.262717 0.415762 0.680768 Al\n0.415762 0.262717 0.680768 Al\n0.061830 0.301589 0.213361 Al\n0.301589 0.061830 0.213361 Al\n0.941916 0.692181 0.810356 Al\n0.692181 0.941916 0.810356 Al\n0.082291 0.548616 0.592430 Al\n0.548616 0.082291 0.592430 Al\n0.231455 0.728974 0.071699 Al\n0.728974 0.231455 0.071699 Al\n0.013027 0.013027 0.992680 Tc\n0.805395 0.532477 0.331953 Tc\n0.532477 0.805395 0.331953 Tc\n",
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{
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{
"id": "mp-16719",
"created_at": "2022-09-04T14:46:28.416339Z",
"structure_string": "Al12 Tc1\n1.0\n-3.766302 3.766302 3.766302\n3.766302 -3.766302 3.766302\n3.766302 3.766302 -3.766302\nAl Tc\n12 1\ndirect\n0.308023 0.187524 0.495547 Al\n0.812476 0.120498 0.308023 Al\n0.879502 0.691977 0.187524 Al\n0.812476 0.504453 0.691977 Al\n0.120498 0.308023 0.812476 Al\n0.187524 0.879502 0.691977 Al\n0.504453 0.691977 0.812476 Al\n0.495547 0.308023 0.187524 Al\n0.187524 0.495547 0.308023 Al\n0.308023 0.812476 0.120498 Al\n0.691977 0.187524 0.879502 Al\n0.691977 0.812476 0.504453 Al\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "mp-1070275",
"created_at": "2022-09-04T14:42:09.043449Z",
"structure_string": "Al3 Tc2\n1.0\n2.178047 -3.772489 0.000000\n2.178047 3.772489 0.000000\n0.000000 0.000000 5.121001\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.391880 Al\n0.333333 0.666667 0.608120 Al\n0.666667 0.333333 0.896201 Tc\n0.333333 0.666667 0.103799 Tc\n",
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{
"id": "mp-1228524",
"created_at": "2022-09-04T14:43:13.521350Z",
"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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"formula_full": "Al4 Te6",
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"updated_at": "2021-11-28T01:36:08.149000Z",
"spacegroup": 9
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{
"id": "mp-9254",
"created_at": "2022-09-04T14:43:53.876784Z",
"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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"formula_full": "Al2 Te5",
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{
"id": "mp-29502",
"created_at": "2022-09-04T14:46:18.916049Z",
"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",
"nsites": 40,
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"volume": 1465.7932594826045,
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"formula_full": "Al16 Te24",
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"energy": -163.54846605,
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{
"id": "mp-14506",
"created_at": "2022-09-04T14:46:13.984120Z",
"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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{
"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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{
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{
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"formula_full": "Al54 V2",
"formula_reduced": "Al27V",
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"updated_at": "2021-11-28T01:39:55.700000Z",
"spacegroup": 227
},
{
"id": "mp-1228006",
"created_at": "2022-09-04T14:40:33.709644Z",
"structure_string": "Al1 V2\n1.0\n0.000000 2.111989 6.330681\n1.581375 0.000000 6.330681\n1.581375 2.111989 0.000000\nAl V\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.329105 0.329105 0.670895 V\n0.670895 0.670895 0.329105 V\n",
"nsites": 3,
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"elements": [
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"V"
],
"chemical_system": "Al-V",
"density": 5.060291952263772,
"density_atomic": 0.0709437773141386,
"volume": 42.28700688879334,
"volume_molar": 8.48861026011344,
"formula_full": "Al1 V2",
"formula_reduced": "AlV2",
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"updated_at": "2021-11-28T01:34:54.920000Z",
"spacegroup": 69
}
]
}