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{
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"structure_string": "Ce1 Mg14 Nb1\n1.0\n6.502719 0.000000 0.000000\n-3.251360 5.631519 -0.000000\n0.000000 -0.000000 10.123805\nCe Mg Nb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.181722 0.840860 0.125000 Mg\n0.162269 0.831134 0.625000 Mg\n0.659140 0.318278 0.125000 Mg\n0.668866 0.337731 0.625000 Mg\n0.659140 0.840860 0.125000 Mg\n0.668866 0.831134 0.625000 Mg\n0.331704 0.168296 0.388161 Mg\n0.331704 0.168296 0.861839 Mg\n0.331704 0.663410 0.388161 Mg\n0.331704 0.663410 0.861839 Mg\n0.836590 0.168296 0.388161 Mg\n0.836590 0.168296 0.861839 Mg\n0.833333 0.666667 0.363067 Mg\n0.833333 0.666667 0.886933 Mg\n0.166667 0.333333 0.625000 Nb\n",
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{
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"structure_string": "Ce1 Mg14 Ni1\n1.0\n3.001841 -5.837448 0.000000\n3.001841 5.837448 0.000000\n0.000000 0.000000 10.194978\nCe Mg Ni\n1 14 1\ndirect\n0.312631 0.687369 0.500000 Ce\n0.828670 0.171330 0.000000 Mg\n0.333028 0.666972 0.000000 Mg\n0.295726 0.174558 0.500000 Mg\n0.333678 0.173965 0.000000 Mg\n0.825442 0.704274 0.500000 Mg\n0.826035 0.666322 0.000000 Mg\n0.170691 0.324753 0.249300 Mg\n0.170691 0.324753 0.750700 Mg\n0.675247 0.829309 0.249300 Mg\n0.675247 0.829309 0.750700 Mg\n0.685860 0.314140 0.287116 Mg\n0.685860 0.314140 0.712884 Mg\n0.167422 0.832578 0.235466 Mg\n0.167422 0.832578 0.764534 Mg\n0.846355 0.153645 0.500000 Ni\n",
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"spacegroup": 38
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{
"id": "mp-1028403",
"created_at": "2022-09-04T14:47:10.199537Z",
"structure_string": "Ce1 Mg14 Ni1\n1.0\n6.587011 0.000000 0.000000\n-3.293506 5.704518 -0.000000\n-0.000000 0.000000 10.480079\nCe Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.159157 0.829578 0.125000 Mg\n0.182500 0.841250 0.625000 Mg\n0.670422 0.340843 0.125000 Mg\n0.658750 0.317500 0.625000 Mg\n0.670422 0.829578 0.125000 Mg\n0.658750 0.841250 0.625000 Mg\n0.326106 0.173894 0.354888 Mg\n0.326106 0.173894 0.895112 Mg\n0.326106 0.652212 0.354888 Mg\n0.326106 0.652212 0.895112 Mg\n0.847788 0.173894 0.354888 Mg\n0.847788 0.173894 0.895112 Mg\n0.833333 0.666667 0.386049 Mg\n0.833333 0.666667 0.863951 Mg\n0.166667 0.333333 0.125000 Ni\n",
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{
"id": "mp-1026735",
"created_at": "2022-09-04T14:43:12.887468Z",
"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.421629 0.000000 0.000000\n-3.210815 5.561293 -0.000000\n0.000000 0.000000 10.552706\nCe Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.179204 0.839602 0.125000 Mg\n0.159992 0.829995 0.625000 Mg\n0.660398 0.320796 0.125000 Mg\n0.670005 0.340008 0.625000 Mg\n0.660398 0.839602 0.125000 Mg\n0.670005 0.829995 0.625000 Mg\n0.332955 0.167045 0.378890 Mg\n0.332955 0.167045 0.871110 Mg\n0.332955 0.665911 0.378890 Mg\n0.332955 0.665911 0.871110 Mg\n0.834089 0.167045 0.378890 Mg\n0.834089 0.167045 0.871110 Mg\n0.833333 0.666667 0.361469 Mg\n0.833333 0.666667 0.888531 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1026732",
"created_at": "2022-09-04T14:42:29.141959Z",
"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.521162 0.083435 0.000000\n-3.188324 5.522339 0.000000\n0.000000 0.000000 10.396073\nCe Mg Sb\n1 14 1\ndirect\n0.166074 0.333036 0.125000 Ce\n0.164358 0.332178 0.625000 Mg\n0.163269 0.831634 0.625000 Mg\n0.663827 0.326470 0.125000 Mg\n0.666534 0.334827 0.625000 Mg\n0.663827 0.837356 0.125000 Mg\n0.666534 0.831705 0.625000 Mg\n0.337784 0.168288 0.383836 Mg\n0.337784 0.168288 0.866164 Mg\n0.337784 0.669497 0.383836 Mg\n0.337784 0.669497 0.866164 Mg\n0.830591 0.165296 0.381598 Mg\n0.830591 0.165296 0.868402 Mg\n0.830749 0.665375 0.371861 Mg\n0.830749 0.665375 0.878139 Mg\n0.171765 0.835882 0.125000 Sb\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1099093",
"created_at": "2022-09-04T14:42:23.873607Z",
"structure_string": "Ce1 Mg14 Si1\n1.0\n3.184615 -5.515915 0.000000\n3.184615 5.515915 0.000000\n0.000000 0.000000 10.401610\nCe Mg Si\n1 14 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.007648 0.503824 0.000000 Mg\n0.997011 0.498505 0.500000 Mg\n0.496176 0.992352 0.000000 Mg\n0.501495 0.002989 0.500000 Mg\n0.496176 0.503824 0.000000 Mg\n0.501495 0.498505 0.500000 Mg\n0.165071 0.834929 0.256486 Mg\n0.165071 0.834929 0.743514 Mg\n0.165071 0.330142 0.256486 Mg\n0.165071 0.330142 0.743514 Mg\n0.669858 0.834929 0.256486 Mg\n0.669858 0.834929 0.743514 Mg\n0.666667 0.333333 0.243839 Mg\n0.666667 0.333333 0.756161 Mg\n0.000000 0.000000 0.500000 Si\n",
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{
"id": "mp-1026791",
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"structure_string": "Ce1 Mg14 Si1\n1.0\n6.507886 0.131293 0.000000\n-3.140240 5.439054 0.000000\n0.000000 0.000000 10.318708\nCe Mg Si\n1 14 1\ndirect\n0.151966 0.325982 0.125000 Ce\n0.165304 0.332652 0.625000 Mg\n0.160402 0.830200 0.625000 Mg\n0.647844 0.315119 0.125000 Mg\n0.665097 0.336535 0.625000 Mg\n0.647844 0.832723 0.125000 Mg\n0.665097 0.828560 0.625000 Mg\n0.337528 0.164802 0.378903 Mg\n0.337528 0.164802 0.871097 Mg\n0.337528 0.672728 0.378903 Mg\n0.337528 0.672728 0.871097 Mg\n0.831662 0.165832 0.384433 Mg\n0.831662 0.165832 0.865567 Mg\n0.847508 0.673755 0.359173 Mg\n0.847508 0.673755 0.890827 Mg\n0.187994 0.843996 0.125000 Si\n",
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{
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"structure_string": "Ce1 Mg14 Sn1\n1.0\n3.241870 -5.699074 0.000000\n3.241870 5.699074 0.000000\n0.000000 0.000000 10.436771\nCe Mg Sn\n1 14 1\ndirect\n0.332598 0.667402 0.500000 Ce\n0.833051 0.166949 0.000000 Mg\n0.333225 0.666775 0.000000 Mg\n0.328836 0.163383 0.500000 Mg\n0.333707 0.167051 0.000000 Mg\n0.836617 0.671164 0.500000 Mg\n0.832949 0.666293 0.000000 Mg\n0.166665 0.331197 0.245011 Mg\n0.166665 0.331197 0.754989 Mg\n0.668803 0.833335 0.245011 Mg\n0.668803 0.833335 0.754989 Mg\n0.665846 0.334154 0.252445 Mg\n0.665846 0.334154 0.747555 Mg\n0.165323 0.834677 0.245230 Mg\n0.165323 0.834677 0.754770 Mg\n0.835752 0.164248 0.500000 Sn\n",
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{
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"structure_string": "Ce1 Mg14 Sn1\n1.0\n6.399025 0.000000 -0.000000\n-3.199512 5.541717 0.000000\n0.000000 0.000000 10.511815\nCe Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.161636 0.830818 0.125000 Mg\n0.177912 0.838955 0.625000 Mg\n0.669182 0.338364 0.125000 Mg\n0.661045 0.322088 0.625000 Mg\n0.669182 0.830818 0.125000 Mg\n0.661045 0.838955 0.625000 Mg\n0.333092 0.166908 0.369916 Mg\n0.333092 0.166908 0.880084 Mg\n0.333092 0.666186 0.369916 Mg\n0.333092 0.666186 0.880084 Mg\n0.833814 0.166908 0.369916 Mg\n0.833814 0.166908 0.880084 Mg\n0.833333 0.666667 0.387920 Mg\n0.833333 0.666667 0.862080 Mg\n0.166667 0.333333 0.125000 Sn\n",
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{
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"structure_string": "Ce1 Mg14 Ti1\n1.0\n6.610746 0.000000 -0.000000\n-3.305373 5.725072 -0.000000\n-0.000000 -0.000000 10.403029\nCe Mg Ti\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.163491 0.831745 0.125000 Mg\n0.181642 0.840821 0.625000 Mg\n0.668255 0.336509 0.125000 Mg\n0.659179 0.318358 0.625000 Mg\n0.668255 0.831745 0.125000 Mg\n0.659179 0.840821 0.625000 Mg\n0.332023 0.167977 0.363684 Mg\n0.332023 0.167977 0.886316 Mg\n0.332023 0.664048 0.363684 Mg\n0.332023 0.664048 0.886316 Mg\n0.835952 0.167977 0.363684 Mg\n0.835952 0.167977 0.886316 Mg\n0.833333 0.666667 0.385337 Mg\n0.833333 0.666667 0.864663 Mg\n0.166667 0.333333 0.125000 Ti\n",
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{
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{
"id": "mp-1028401",
"created_at": "2022-09-04T14:45:33.419499Z",
"structure_string": "Ce1 Mg14 V1\n1.0\n6.486813 0.256205 0.000000\n-3.021526 5.233437 0.000000\n0.000000 0.000000 10.380614\nCe Mg V\n1 14 1\ndirect\n0.145008 0.822503 0.125000 Ce\n0.157685 0.328842 0.625000 Mg\n0.164301 0.832150 0.625000 Mg\n0.645098 0.326141 0.125000 Mg\n0.659391 0.327301 0.625000 Mg\n0.645098 0.818956 0.125000 Mg\n0.659391 0.832089 0.625000 Mg\n0.342020 0.175589 0.375141 Mg\n0.342020 0.175589 0.874859 Mg\n0.342020 0.666431 0.375141 Mg\n0.342020 0.666431 0.874859 Mg\n0.857645 0.178823 0.358262 Mg\n0.857645 0.178823 0.891738 Mg\n0.836997 0.668499 0.386220 Mg\n0.836997 0.668499 0.863780 Mg\n0.166664 0.333332 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"V"
],
"chemical_system": "Ce-Mg-V",
"density": 2.4478110889528923,
"density_atomic": 0.04439013734213237,
"volume": 360.4404256891945,
"volume_molar": 13.566393619341559,
"formula_full": "Ce1 Mg14 V1",
"formula_reduced": "CeMg14V",
"formula_anonymous": "ABC14",
"energy": -35.41848665,
"energy_per_atom": -2.213655415625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.41848665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1631354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.430000Z",
"spacegroup": 38
}
]
}