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{
"id": "mp-1026723",
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"structure_string": "Ce1 Mg14 Cr1\n1.0\n6.479756 0.000000 -0.000000\n-3.239878 5.611633 0.000000\n0.000000 -0.000000 10.269637\nCe Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.180153 0.840076 0.125000 Mg\n0.164501 0.832250 0.625000 Mg\n0.659924 0.319847 0.125000 Mg\n0.667750 0.335499 0.625000 Mg\n0.659924 0.840076 0.125000 Mg\n0.667750 0.832250 0.625000 Mg\n0.331617 0.168383 0.385151 Mg\n0.331617 0.168383 0.864849 Mg\n0.331617 0.663235 0.385151 Mg\n0.331617 0.663235 0.864849 Mg\n0.836765 0.168383 0.385151 Mg\n0.836765 0.168383 0.864849 Mg\n0.833333 0.666667 0.365028 Mg\n0.833333 0.666667 0.884972 Mg\n0.166667 0.333333 0.625000 Cr\n",
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{
"id": "mp-1026739",
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"structure_string": "Ce1 Mg14 Cr1\n1.0\n6.471058 0.129104 0.000000\n-3.123722 5.410444 0.000000\n0.000000 0.000000 10.269218\nCe Mg Cr\n1 14 1\ndirect\n0.151201 0.325600 0.125000 Ce\n0.166147 0.333073 0.625000 Mg\n0.162342 0.831171 0.625000 Mg\n0.648318 0.315307 0.125000 Mg\n0.664896 0.335350 0.625000 Mg\n0.648318 0.833010 0.125000 Mg\n0.664896 0.829545 0.625000 Mg\n0.339681 0.165721 0.377893 Mg\n0.339681 0.165721 0.872107 Mg\n0.339681 0.673962 0.377893 Mg\n0.339681 0.673962 0.872107 Mg\n0.832289 0.166145 0.384523 Mg\n0.832289 0.166145 0.865477 Mg\n0.846837 0.673419 0.359783 Mg\n0.846837 0.673419 0.890217 Mg\n0.176905 0.838452 0.125000 Cr\n",
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{
"id": "mp-1099091",
"created_at": "2022-09-04T14:44:03.875886Z",
"structure_string": "Ce1 Mg14 Cu1\n1.0\n3.231613 -5.597318 0.000000\n3.231613 5.597318 0.000000\n0.000000 0.000000 10.069032\nCe Mg Cu\n1 14 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.997225 0.498612 0.000000 Mg\n0.013374 0.506687 0.500000 Mg\n0.501388 0.002775 0.000000 Mg\n0.493313 0.986626 0.500000 Mg\n0.501388 0.498612 0.000000 Mg\n0.493313 0.506687 0.500000 Mg\n0.163810 0.836190 0.237454 Mg\n0.163810 0.836190 0.762546 Mg\n0.163810 0.327619 0.237454 Mg\n0.163810 0.327619 0.762546 Mg\n0.672381 0.836190 0.237454 Mg\n0.672381 0.836190 0.762546 Mg\n0.666667 0.333333 0.257332 Mg\n0.666667 0.333333 0.742668 Mg\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 16,
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"elements": [
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],
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},
{
"id": "mp-1028002",
"created_at": "2022-09-04T14:48:23.998394Z",
"structure_string": "Ce1 Mg14 Fe1\n1.0\n6.505365 0.339962 0.000000\n-2.958266 5.123867 0.000000\n0.000000 0.000000 10.385892\nCe Mg Fe\n1 14 1\ndirect\n0.125078 0.812539 0.125000 Ce\n0.151232 0.325615 0.625000 Mg\n0.165690 0.832845 0.625000 Mg\n0.617562 0.317234 0.125000 Mg\n0.654935 0.324307 0.625000 Mg\n0.617562 0.800327 0.125000 Mg\n0.654935 0.830627 0.625000 Mg\n0.348489 0.176756 0.373433 Mg\n0.348489 0.176756 0.876567 Mg\n0.348489 0.671734 0.373433 Mg\n0.348489 0.671734 0.876567 Mg\n0.880973 0.190487 0.335668 Mg\n0.880973 0.190487 0.914332 Mg\n0.839195 0.669598 0.392221 Mg\n0.839195 0.669598 0.857779 Mg\n0.178712 0.339355 0.125000 Fe\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ce-Fe-Mg",
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"formula_full": "Ce1 Mg14 Fe1",
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{
"id": "mp-1028432",
"created_at": "2022-09-04T14:48:04.709410Z",
"structure_string": "Ce1 Mg14 Fe1\n1.0\n3.214194 -5.567147 0.000000\n3.214194 5.567147 0.000000\n0.000000 0.000000 10.284846\nCe Mg Fe\n1 14 1\ndirect\n0.666667 0.333333 0.500000 Ce\n0.658462 0.829231 0.000000 Mg\n0.683423 0.841711 0.500000 Mg\n0.170769 0.341538 0.000000 Mg\n0.158289 0.316577 0.500000 Mg\n0.170769 0.829231 0.000000 Mg\n0.158289 0.841711 0.500000 Mg\n0.829384 0.170616 0.228810 Mg\n0.829384 0.170616 0.771190 Mg\n0.829384 0.658768 0.228810 Mg\n0.829384 0.658768 0.771190 Mg\n0.341232 0.170616 0.228810 Mg\n0.341232 0.170616 0.771190 Mg\n0.333333 0.666667 0.264278 Mg\n0.333333 0.666667 0.735722 Mg\n0.666667 0.333333 0.000000 Fe\n",
"nsites": 16,
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"elements": [
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],
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"formula_full": "Ce1 Mg14 Fe1",
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{
"id": "mp-1026773",
"created_at": "2022-09-04T14:48:04.861446Z",
"structure_string": "Ce1 Mg14 Ga1\n1.0\n6.372283 -0.000000 0.000000\n-3.186142 5.518559 -0.000000\n0.000000 -0.000000 10.137384\nCe Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.181423 0.840711 0.125000 Mg\n0.160137 0.830068 0.625000 Mg\n0.659289 0.318577 0.125000 Mg\n0.669932 0.339863 0.625000 Mg\n0.659289 0.840711 0.125000 Mg\n0.669932 0.830068 0.625000 Mg\n0.332697 0.167303 0.384989 Mg\n0.332697 0.167303 0.865011 Mg\n0.332697 0.665394 0.384989 Mg\n0.332697 0.665394 0.865011 Mg\n0.834606 0.167303 0.384989 Mg\n0.834606 0.167303 0.865011 Mg\n0.833333 0.666667 0.361898 Mg\n0.833333 0.666667 0.888102 Mg\n0.166667 0.333333 0.625000 Ga\n",
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],
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"formula_full": "Ce1 Mg14 Ga1",
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{
"id": "mp-1026775",
"created_at": "2022-09-04T14:41:26.414294Z",
"structure_string": "Ce1 Mg14 Ga1\n1.0\n6.507269 0.099863 0.000000\n-3.167151 5.485665 0.000000\n0.000000 0.000000 10.301210\nCe Mg Ga\n1 14 1\ndirect\n0.150265 0.325132 0.125000 Ce\n0.165125 0.332562 0.625000 Mg\n0.160537 0.830268 0.625000 Mg\n0.646707 0.315193 0.125000 Mg\n0.665800 0.337032 0.625000 Mg\n0.646707 0.831513 0.125000 Mg\n0.665800 0.828767 0.625000 Mg\n0.337449 0.166597 0.380133 Mg\n0.337449 0.166597 0.869867 Mg\n0.337449 0.670853 0.380133 Mg\n0.337449 0.670853 0.869867 Mg\n0.831449 0.165725 0.384500 Mg\n0.831449 0.165725 0.865500 Mg\n0.845992 0.672997 0.358414 Mg\n0.845992 0.672997 0.891586 Mg\n0.194380 0.847190 0.125000 Ga\n",
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{
"id": "mp-1028131",
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"structure_string": "Ce1 Mg14 Mn1\n1.0\n6.529518 0.000000 -0.000000\n-3.264759 5.654728 0.000000\n0.000000 -0.000000 10.314225\nCe Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.164693 0.832346 0.125000 Mg\n0.180410 0.840205 0.625000 Mg\n0.667654 0.335307 0.125000 Mg\n0.659795 0.319590 0.625000 Mg\n0.667654 0.832346 0.125000 Mg\n0.659795 0.840205 0.625000 Mg\n0.331855 0.168145 0.364228 Mg\n0.331855 0.168145 0.885772 Mg\n0.331855 0.663712 0.364228 Mg\n0.331855 0.663712 0.885772 Mg\n0.836288 0.168145 0.364228 Mg\n0.836288 0.168145 0.885772 Mg\n0.833333 0.666667 0.383075 Mg\n0.833333 0.666667 0.866925 Mg\n0.166667 0.333333 0.125000 Mn\n",
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{
"id": "mp-1028261",
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"structure_string": "Ce1 Mg14 Mn1\n1.0\n6.470890 0.210439 0.000000\n-3.053199 5.288295 0.000000\n0.000000 0.000000 10.266265\nCe Mg Mn\n1 14 1\ndirect\n0.141567 0.820783 0.125000 Ce\n0.156936 0.328468 0.625000 Mg\n0.162784 0.831392 0.625000 Mg\n0.642294 0.327004 0.125000 Mg\n0.660411 0.326592 0.625000 Mg\n0.642294 0.815289 0.125000 Mg\n0.660411 0.833818 0.625000 Mg\n0.343756 0.175127 0.378014 Mg\n0.343756 0.175127 0.871986 Mg\n0.343756 0.668629 0.378014 Mg\n0.343756 0.668629 0.871986 Mg\n0.855849 0.177925 0.356077 Mg\n0.855849 0.177925 0.893923 Mg\n0.833239 0.666620 0.387135 Mg\n0.833239 0.666620 0.862865 Mg\n0.180104 0.340051 0.125000 Mn\n",
"nsites": 16,
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"elements": [
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{
"id": "mp-1026764",
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"structure_string": "Ce1 Mg14 Mo1\n1.0\n6.503973 -0.000000 -0.000000\n-3.251987 5.632605 0.000000\n-0.000000 -0.000000 10.274325\nCe Mg Mo\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.183260 0.841629 0.125000 Mg\n0.159282 0.829640 0.625000 Mg\n0.658371 0.316740 0.125000 Mg\n0.670360 0.340718 0.625000 Mg\n0.658371 0.841629 0.125000 Mg\n0.670360 0.829640 0.625000 Mg\n0.329642 0.170358 0.393670 Mg\n0.329642 0.170358 0.856330 Mg\n0.329642 0.659285 0.393670 Mg\n0.329642 0.659285 0.856330 Mg\n0.840715 0.170358 0.393670 Mg\n0.840715 0.170358 0.856330 Mg\n0.833333 0.666667 0.359585 Mg\n0.833333 0.666667 0.890415 Mg\n0.166667 0.333333 0.625000 Mo\n",
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{
"id": "mp-1026721",
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"structure_string": "Ce1 Mg14 Mo1\n1.0\n6.466600 0.314918 0.000000\n-2.960573 5.127862 0.000000\n0.000000 0.000000 10.440164\nCe Mg Mo\n1 14 1\ndirect\n0.137851 0.318925 0.125000 Ce\n0.163604 0.331802 0.625000 Mg\n0.153919 0.826959 0.625000 Mg\n0.638908 0.315282 0.125000 Mg\n0.655084 0.330776 0.625000 Mg\n0.638908 0.823626 0.125000 Mg\n0.655084 0.824308 0.625000 Mg\n0.344613 0.167779 0.373386 Mg\n0.344613 0.167779 0.876614 Mg\n0.344613 0.676834 0.373386 Mg\n0.344613 0.676834 0.876614 Mg\n0.841816 0.170909 0.390459 Mg\n0.841816 0.170909 0.859541 Mg\n0.864571 0.682286 0.352316 Mg\n0.864571 0.682286 0.897684 Mg\n0.165415 0.832707 0.125000 Mo\n",
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{
"id": "mp-1026718",
"created_at": "2022-09-04T14:41:49.293319Z",
"structure_string": "Ce1 Mg14 Nb1\n1.0\n6.471703 0.254630 0.000000\n-3.015335 5.222713 0.000000\n0.000000 0.000000 10.450464\nCe Mg Nb\n1 14 1\ndirect\n0.152741 0.326370 0.125000 Ce\n0.163081 0.331540 0.625000 Mg\n0.159439 0.829719 0.625000 Mg\n0.654276 0.324288 0.125000 Mg\n0.660621 0.332824 0.625000 Mg\n0.654276 0.829987 0.125000 Mg\n0.660621 0.827796 0.625000 Mg\n0.339242 0.165588 0.376811 Mg\n0.339242 0.165588 0.873189 Mg\n0.339242 0.673655 0.376811 Mg\n0.339242 0.673655 0.873189 Mg\n0.835705 0.167853 0.385014 Mg\n0.835705 0.167853 0.864986 Mg\n0.850601 0.675301 0.362568 Mg\n0.850601 0.675301 0.887432 Mg\n0.165366 0.832682 0.125000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Nb"
],
"chemical_system": "Ce-Mg-Nb",
"density": 2.635238555574062,
"density_atomic": 0.04429091493825287,
"volume": 361.2478997624235,
"volume_molar": 13.59678563514803,
"formula_full": "Ce1 Mg14 Nb1",
"formula_reduced": "CeMg14Nb",
"formula_anonymous": "ABC14",
"energy": -37.04720995,
"energy_per_atom": -2.315450621875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.04720995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0478839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.068000Z",
"spacegroup": 38
}
]
}