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{
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"results": [
{
"id": "mp-1186252",
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{
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},
{
"id": "mp-1186250",
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"volume": 94.93763816914263,
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"formula_full": "Nd2 Mg1",
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"updated_at": "2021-11-28T01:36:49.907000Z",
"spacegroup": 139
},
{
"id": "mp-1327",
"created_at": "2022-09-04T14:43:16.485783Z",
"structure_string": "Nd1 Mg1\n1.0\n3.885205 0.000000 0.000000\n0.000000 3.885205 0.000000\n0.000000 0.000000 3.885205\nNd Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 58.64646194818499,
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"formula_full": "Nd1 Mg1",
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"updated_at": "2021-11-28T01:36:03.799000Z",
"spacegroup": 221
},
{
"id": "mp-1186293",
"created_at": "2022-09-04T14:46:00.016964Z",
"structure_string": "Nd5 Mg1\n1.0\n6.041230 -3.184060 0.000000\n6.041230 3.184060 0.000000\n4.363055 0.000000 5.253421\nNd Mg\n5 1\ndirect\n0.647475 0.352525 0.000000 Nd\n0.000000 0.647475 0.352525 Nd\n0.352525 0.000000 0.647475 Nd\n0.164945 0.164945 0.164945 Nd\n0.835055 0.835055 0.835055 Nd\n0.500000 0.500000 0.500000 Mg\n",
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"elements": [
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"density": 6.125290192468966,
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"volume": 202.1058175755272,
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"formula_full": "Nd5 Mg1",
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"energy": -25.39395547,
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"updated_at": "2021-11-28T01:37:20.068000Z",
"spacegroup": 155
},
{
"id": "mp-1186599",
"created_at": "2022-09-04T14:45:24.663733Z",
"structure_string": "Nd1 Mg149\n1.0\n13.889846 -8.019310 0.000000\n-0.000000 16.038619 -0.000000\n0.000000 0.000000 15.667613\nNd Mg\n1 149\ndirect\n-0.000000 -0.000000 -0.000000 Nd\n0.600149 0.200299 -0.000000 Mg\n0.401564 0.200782 -0.000000 Mg\n0.799219 0.200782 -0.000000 Mg\n0.003398 0.206686 -0.000000 Mg\n0.203288 0.206686 -0.000000 Mg\n0.600149 0.399850 -0.000000 Mg\n0.799701 0.399850 -0.000000 Mg\n0.400383 0.400582 -0.000000 Mg\n0.000200 0.400582 -0.000000 Mg\n0.201860 0.403719 -0.000000 Mg\n0.799219 0.598435 -0.000000 Mg\n0.000200 0.599617 -0.000000 Mg\n0.599418 0.599617 -0.000000 Mg\n0.399648 0.600353 -0.000000 Mg\n0.200705 0.600353 -0.000000 Mg\n0.003398 0.796712 -0.000000 Mg\n0.793314 0.796712 -0.000000 Mg\n0.201860 0.798141 -0.000000 Mg\n0.596281 0.798141 -0.000000 Mg\n0.399648 0.799295 -0.000000 Mg\n0.793314 0.996602 -0.000000 Mg\n0.203288 0.996602 -0.000000 Mg\n0.599418 0.999800 -0.000000 Mg\n0.400383 0.999801 -0.000000 Mg\n0.263314 0.131657 0.164341 Mg\n0.868344 0.131657 0.164341 Mg\n0.868344 0.736686 0.164341 Mg\n0.666667 0.333333 0.166023 Mg\n0.465509 0.132983 0.166507 Mg\n0.667474 0.132983 0.166507 Mg\n0.867017 0.332526 0.166507 Mg\n0.465509 0.332526 0.166507 Mg\n0.667474 0.534491 0.166507 Mg\n0.867017 0.534491 0.166507 Mg\n0.466610 0.533390 0.167379 Mg\n0.066781 0.533391 0.167379 Mg\n0.466610 0.933219 0.167379 Mg\n0.267205 0.534409 0.167357 Mg\n0.267205 0.732795 0.167357 Mg\n0.465591 0.732795 0.167357 Mg\n0.068208 0.336062 0.167884 Mg\n0.267855 0.336062 0.167884 Mg\n0.068208 0.732145 0.167884 Mg\n0.663938 0.732145 0.167884 Mg\n0.663938 0.931793 0.167884 Mg\n0.267855 0.931793 0.167884 Mg\n0.068545 0.137091 0.171027 Mg\n0.068545 0.931454 0.171027 Mg\n0.862910 0.931455 0.171027 Mg\n0.800184 0.199816 0.332719 Mg\n0.399630 0.199816 0.332719 Mg\n0.800184 0.600370 0.332719 Mg\n0.599977 0.199953 0.332713 Mg\n0.800047 0.400024 0.332713 Mg\n0.599977 0.400024 0.332713 Mg\n0.200866 0.000103 0.333741 Mg\n0.799237 0.000103 0.333741 Mg\n0.999897 0.200762 0.333741 Mg\n0.200866 0.200763 0.333741 Mg\n0.799237 0.799134 0.333741 Mg\n0.999897 0.799134 0.333741 Mg\n0.599647 0.000169 0.333803 Mg\n0.400522 0.000169 0.333803 Mg\n0.400522 0.400353 0.333803 Mg\n0.999831 0.400353 0.333803 Mg\n0.999831 0.599478 0.333803 Mg\n0.599647 0.599478 0.333803 Mg\n0.400072 0.599928 0.333664 Mg\n0.199857 0.599929 0.333664 Mg\n0.400072 0.800143 0.333664 Mg\n0.200201 0.400401 0.334195 Mg\n0.200201 0.799799 0.334195 Mg\n0.599599 0.799800 0.334195 Mg\n-0.000000 -0.000000 0.334701 Mg\n0.866362 0.133637 0.500000 Mg\n0.267275 0.133638 0.500000 Mg\n0.066792 0.133584 0.500000 Mg\n0.467048 0.134256 0.500000 Mg\n0.667208 0.134257 0.500000 Mg\n0.865743 0.332792 0.500000 Mg\n0.467048 0.332792 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266752 0.333680 0.500000 Mg\n0.066929 0.333681 0.500000 Mg\n0.865743 0.532952 0.500000 Mg\n0.667208 0.532953 0.500000 Mg\n0.467005 0.532995 0.500000 Mg\n0.065990 0.532995 0.500000 Mg\n0.266796 0.533592 0.500000 Mg\n0.866362 0.732725 0.500000 Mg\n0.666319 0.733248 0.500000 Mg\n0.066929 0.733248 0.500000 Mg\n0.266796 0.733204 0.500000 Mg\n0.466408 0.733204 0.500000 Mg\n0.066792 0.933208 0.500000 Mg\n0.866417 0.933208 0.500000 Mg\n0.666319 0.933071 0.500000 Mg\n0.266752 0.933071 0.500000 Mg\n0.467005 0.934010 0.500000 Mg\n-0.000000 -0.000000 0.665299 Mg\n0.200201 0.400401 0.665805 Mg\n0.200201 0.799799 0.665805 Mg\n0.599599 0.799800 0.665805 Mg\n0.400072 0.599928 0.666336 Mg\n0.199857 0.599929 0.666336 Mg\n0.400072 0.800143 0.666336 Mg\n0.599647 0.000169 0.666197 Mg\n0.400522 0.000169 0.666197 Mg\n0.400522 0.400353 0.666197 Mg\n0.999831 0.400353 0.666197 Mg\n0.999831 0.599478 0.666197 Mg\n0.599647 0.599478 0.666197 Mg\n0.200866 0.000103 0.666259 Mg\n0.799237 0.000103 0.666259 Mg\n0.999897 0.200762 0.666259 Mg\n0.200866 0.200763 0.666259 Mg\n0.799237 0.799134 0.666259 Mg\n0.999897 0.799134 0.666259 Mg\n0.599977 0.199953 0.667287 Mg\n0.800047 0.400024 0.667287 Mg\n0.599977 0.400024 0.667287 Mg\n0.800184 0.199816 0.667281 Mg\n0.399630 0.199816 0.667281 Mg\n0.800184 0.600370 0.667281 Mg\n0.068545 0.137091 0.828972 Mg\n0.068545 0.931454 0.828972 Mg\n0.862910 0.931455 0.828972 Mg\n0.068208 0.336062 0.832116 Mg\n0.267855 0.336062 0.832116 Mg\n0.068208 0.732145 0.832116 Mg\n0.663938 0.732145 0.832116 Mg\n0.663938 0.931793 0.832116 Mg\n0.267855 0.931793 0.832116 Mg\n0.267205 0.534409 0.832643 Mg\n0.267205 0.732795 0.832643 Mg\n0.465591 0.732795 0.832643 Mg\n0.466610 0.533390 0.832621 Mg\n0.066781 0.533391 0.832621 Mg\n0.466610 0.933219 0.832621 Mg\n0.465509 0.132983 0.833493 Mg\n0.667474 0.132983 0.833493 Mg\n0.867017 0.332526 0.833493 Mg\n0.465509 0.332526 0.833493 Mg\n0.667474 0.534491 0.833493 Mg\n0.867017 0.534491 0.833493 Mg\n0.666667 0.333333 0.833977 Mg\n0.263314 0.131657 0.835659 Mg\n0.868344 0.131657 0.835659 Mg\n0.868344 0.736686 0.835659 Mg\n",
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"volume": 3490.3360031613147,
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"spacegroup": 187
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{
"id": "mp-1186288",
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"structure_string": "Nd5 Mg1\n1.0\n1.848410 -9.264956 0.000000\n1.848410 9.264956 0.000000\n0.000000 0.000000 5.882012\nNd Mg\n5 1\ndirect\n0.003807 0.996193 0.000000 Nd\n0.673068 0.326932 0.000000 Nd\n0.332289 0.667711 0.000000 Nd\n0.555511 0.444489 0.500000 Nd\n0.880326 0.119674 0.500000 Nd\n0.220515 0.779485 0.500000 Mg\n",
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},
{
"id": "mp-1186274",
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"structure_string": "Nd3 Mg1\n1.0\n5.046084 0.000000 0.000000\n0.000000 5.046084 0.000000\n0.000000 0.000000 5.046084\nNd Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 128.4882538960463,
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"spacegroup": 221
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{
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{
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"structure_string": "Nd4 Mg2\n1.0\n1.914929 -8.780681 0.000000\n1.914929 8.780681 0.000000\n0.000000 0.000000 5.645207\nNd Mg\n4 2\ndirect\n0.087758 0.912242 0.250000 Nd\n0.772328 0.227672 0.250000 Nd\n0.912242 0.087758 0.750000 Nd\n0.227672 0.772328 0.750000 Nd\n0.431740 0.568260 0.250000 Mg\n0.568260 0.431740 0.750000 Mg\n",
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"spacegroup": 63
},
{
"id": "mp-976421",
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"structure_string": "Nd3 Mg1\n1.0\n-2.505779 2.505779 5.095187\n2.505779 -2.505779 5.095187\n2.505779 2.505779 -5.095187\nNd Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Nd",
"density": 5.930469909474853,
"density_atomic": 0.03125750732895061,
"volume": 127.96925736606042,
"volume_molar": 19.266222020277066,
"formula_full": "Nd3 Mg1",
"formula_reduced": "Nd3Mg",
"formula_anonymous": "AB3",
"energy": -15.90798465,
"energy_per_atom": -3.9769961625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.90798465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0491847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.584000Z",
"spacegroup": 139
},
{
"id": "mp-1199923",
"created_at": "2022-09-04T14:42:44.758143Z",
"structure_string": "Nd5 Mg41\n1.0\n-7.347129 7.347129 5.226709\n7.347129 -7.347129 5.226709\n7.347129 7.347129 -5.226709\nNd Mg\n5 41\ndirect\n0.000000 0.000000 0.000000 Nd\n0.763845 0.570724 0.334568 Nd\n0.236155 0.429276 0.665432 Nd\n0.429276 0.763845 0.193121 Nd\n0.570724 0.236155 0.806879 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.009437 0.597457 0.606894 Mg\n0.990563 0.402543 0.393106 Mg\n0.402543 0.009437 0.411980 Mg\n0.597457 0.990563 0.588020 Mg\n0.877921 0.778494 0.656415 Mg\n0.122079 0.221506 0.343585 Mg\n0.221506 0.877921 0.099427 Mg\n0.778494 0.122079 0.900573 Mg\n0.658925 0.782616 0.441540 Mg\n0.341075 0.217384 0.558460 Mg\n0.217384 0.658925 0.876309 Mg\n0.782616 0.341075 0.123691 Mg\n0.920476 0.086092 0.712556 Mg\n0.373536 0.207919 0.287444 Mg\n0.207919 0.920476 0.834383 Mg\n0.086092 0.373536 0.165617 Mg\n0.079524 0.913908 0.287444 Mg\n0.626464 0.792081 0.712556 Mg\n0.792081 0.079524 0.165617 Mg\n0.913908 0.626464 0.834383 Mg\n0.766709 0.825976 0.212730 Mg\n0.613246 0.553980 0.787270 Mg\n0.553980 0.766709 0.940733 Mg\n0.825976 0.613246 0.059267 Mg\n0.233291 0.174024 0.787270 Mg\n0.386754 0.446020 0.212730 Mg\n0.446020 0.233291 0.059267 Mg\n0.174024 0.386754 0.940733 Mg\n0.181923 0.891619 0.556636 Mg\n0.334982 0.625287 0.443364 Mg\n0.625287 0.181923 0.290305 Mg\n0.891619 0.334982 0.709695 Mg\n0.818077 0.108381 0.443364 Mg\n0.665018 0.374713 0.556636 Mg\n0.374713 0.818077 0.709695 Mg\n0.108381 0.665018 0.290305 Mg\n",
"nsites": 46,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 2.5274150235793726,
"density_atomic": 0.040760001261263015,
"volume": 1128.5573743030502,
"volume_molar": 14.77463339954125,
"formula_full": "Nd5 Mg41",
"formula_reduced": "Nd5Mg41",
"formula_anonymous": "A5B41",
"energy": -92.04542957,
"energy_per_atom": -2.000987599347826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.04542957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0502334,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.814000Z",
"spacegroup": 87
}
]
}