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{
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"results": [
{
"id": "mp-1022599",
"created_at": "2022-09-04T14:44:55.322228Z",
"structure_string": "Na2 Mg12 Zn2\n1.0\n5.181552 0.000000 0.000000\n0.000000 6.346134 0.000000\n0.000000 0.000000 11.055883\nNa Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.166806 Na\n0.500000 0.000000 0.666806 Na\n0.500000 0.251229 0.416628 Mg\n0.500000 0.748771 0.416628 Mg\n0.000000 0.754853 0.084041 Mg\n0.000000 0.245147 0.084041 Mg\n0.000000 0.000000 0.331552 Mg\n0.000000 0.500000 0.334502 Mg\n0.500000 0.751229 0.916628 Mg\n0.500000 0.248771 0.916628 Mg\n0.000000 0.254853 0.584041 Mg\n0.000000 0.745147 0.584041 Mg\n0.000000 0.500000 0.831552 Mg\n0.000000 0.000000 0.834502 Mg\n0.500000 0.000000 0.165798 Zn\n0.500000 0.500000 0.665798 Zn\n",
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"spacegroup": 38
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{
"id": "mp-1027960",
"created_at": "2022-09-04T14:45:54.020677Z",
"structure_string": "Na1 Mg14 Zn1\n1.0\n6.377773 0.000000 0.000000\n-3.188886 5.523313 -0.000000\n-0.000000 0.000000 10.323285\nNa Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.164810 0.832405 0.125000 Mg\n0.168778 0.834388 0.625000 Mg\n0.667595 0.335190 0.125000 Mg\n0.665612 0.331222 0.625000 Mg\n0.667595 0.832405 0.125000 Mg\n0.665612 0.834388 0.625000 Mg\n0.332628 0.167372 0.367970 Mg\n0.332628 0.167372 0.882030 Mg\n0.332628 0.665257 0.367970 Mg\n0.332628 0.665257 0.882030 Mg\n0.834743 0.167372 0.367970 Mg\n0.834743 0.167372 0.882030 Mg\n0.833333 0.666667 0.376762 Mg\n0.833333 0.666667 0.873238 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Na-Zn",
"density": 1.9574213084817063,
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"volume": 363.65254375048835,
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"formula_full": "Na1 Mg14 Zn1",
"formula_reduced": "NaMg14Zn",
"formula_anonymous": "ABC14",
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"total_magnetization": 4.3e-06,
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"updated_at": "2021-11-28T01:37:08.659000Z",
"spacegroup": 187
},
{
"id": "mp-1022488",
"created_at": "2022-09-04T14:44:59.198705Z",
"structure_string": "Na1 Mg6 Zr1\n1.0\n6.398884 0.000000 0.000000\n0.000000 6.398884 0.000000\n0.000000 0.000000 4.634880\nNa Mg Zr\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.257808 0.742192 0.000000 Mg\n0.742192 0.257808 0.000000 Mg\n0.257808 0.257808 0.000000 Mg\n0.742192 0.742192 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Zr"
],
"chemical_system": "Mg-Na-Zr",
"density": 2.275351940965552,
"density_atomic": 0.042154410266265624,
"volume": 189.7784822387151,
"volume_molar": 14.28590916575878,
"formula_full": "Na1 Mg6 Zr1",
"formula_reduced": "NaMg6Zr",
"formula_anonymous": "ABC6",
"energy": -18.81342928,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:49.396000Z",
"spacegroup": 123
},
{
"id": "mp-1027839",
"created_at": "2022-09-04T14:41:18.130100Z",
"structure_string": "Na1 Mg14 Zr1\n1.0\n6.505877 0.000000 0.000000\n-3.252938 5.634254 -0.000000\n0.000000 -0.000000 10.186903\nNa Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.171736 0.835868 0.125000 Mg\n0.169805 0.834902 0.625000 Mg\n0.664132 0.328264 0.125000 Mg\n0.665098 0.330195 0.625000 Mg\n0.664132 0.835868 0.125000 Mg\n0.665098 0.834902 0.625000 Mg\n0.332590 0.167410 0.371756 Mg\n0.332590 0.167410 0.878244 Mg\n0.332590 0.665181 0.371756 Mg\n0.332590 0.665181 0.878244 Mg\n0.834819 0.167410 0.371756 Mg\n0.834819 0.167410 0.878244 Mg\n0.833333 0.666667 0.374083 Mg\n0.833333 0.666667 0.875917 Mg\n0.166667 0.333333 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zr"
],
"chemical_system": "Mg-Na-Zr",
"density": 2.021077814527773,
"density_atomic": 0.042848491982848506,
"volume": 373.4087072750312,
"volume_molar": 14.054498726374211,
"formula_full": "Na1 Mg14 Zr1",
"formula_reduced": "NaMg14Zr",
"formula_anonymous": "ABC14",
"energy": -31.46862199,
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"updated_at": "2021-11-28T01:35:18.183000Z",
"spacegroup": 187
},
{
"id": "mp-1027857",
"created_at": "2022-09-04T14:48:28.188686Z",
"structure_string": "Na1 Mg14 Zr1\n1.0\n6.474509 -0.032019 0.000000\n-3.264984 5.655118 0.000000\n0.000000 0.000000 10.245264\nNa Mg Zr\n1 14 1\ndirect\n0.169051 0.834525 0.125000 Na\n0.166340 0.333170 0.625000 Mg\n0.167026 0.833512 0.625000 Mg\n0.662077 0.326084 0.125000 Mg\n0.667197 0.333187 0.625000 Mg\n0.662077 0.835992 0.125000 Mg\n0.667197 0.834009 0.625000 Mg\n0.332410 0.171116 0.375681 Mg\n0.332410 0.171116 0.874319 Mg\n0.332410 0.661295 0.375681 Mg\n0.332410 0.661295 0.874319 Mg\n0.838176 0.169089 0.373516 Mg\n0.838176 0.169089 0.876484 Mg\n0.830586 0.665294 0.375533 Mg\n0.830586 0.665294 0.874467 Mg\n0.171870 0.335934 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zr"
],
"chemical_system": "Mg-Na-Zr",
"density": 2.017611727252419,
"density_atomic": 0.042775008116090744,
"volume": 374.0501920321379,
"volume_molar": 14.078643173266032,
"formula_full": "Na1 Mg14 Zr1",
"formula_reduced": "NaMg14Zr",
"formula_anonymous": "ABC14",
"energy": -31.12402575,
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"updated_at": "2021-11-28T01:39:25.617000Z",
"spacegroup": 38
},
{
"id": "mp-1022461",
"created_at": "2022-09-04T14:40:58.242751Z",
"structure_string": "Na2 Mg12 Zr2\n1.0\n5.168689 0.000000 0.000000\n0.000000 6.491908 0.000000\n0.000000 0.000000 11.238462\nNa Mg Zr\n2 12 2\ndirect\n0.500000 0.500000 0.163638 Na\n0.500000 0.000000 0.663638 Na\n0.000000 0.249884 0.081896 Mg\n0.000000 0.750116 0.081896 Mg\n0.000000 0.500000 0.835863 Mg\n0.500000 0.243121 0.914057 Mg\n0.500000 0.756879 0.914057 Mg\n0.500000 0.500000 0.666172 Mg\n0.000000 0.749884 0.581896 Mg\n0.000000 0.250116 0.581896 Mg\n0.000000 0.000000 0.335863 Mg\n0.500000 0.743121 0.414057 Mg\n0.500000 0.256879 0.414057 Mg\n0.500000 0.000000 0.166172 Mg\n0.000000 0.500000 0.342420 Zr\n0.000000 0.000000 0.842420 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Zr"
],
"chemical_system": "Mg-Na-Zr",
"density": 2.290160427307919,
"density_atomic": 0.04242876035578789,
"volume": 377.1026979301641,
"volume_molar": 14.193534549445054,
"formula_full": "Na2 Mg12 Zr2",
"formula_reduced": "NaMg6Zr",
"formula_anonymous": "ABC6",
"energy": -36.53868108,
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"updated_at": "2021-11-28T01:35:19.885000Z",
"spacegroup": 38
},
{
"id": "mp-1061772",
"created_at": "2022-09-04T14:46:20.389791Z",
"structure_string": "Mg1 Nb2\n1.0\n0.000000 2.272050 7.306521\n1.730372 0.000000 7.306521\n1.730372 2.272050 0.000000\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.327471 0.327471 0.672529 Nb\n0.672529 0.672529 0.327471 Nb\n",
"nsites": 3,
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"density": 6.073147985690451,
"density_atomic": 0.052218363700589604,
"volume": 57.451053372745314,
"volume_molar": 11.532611007364835,
"formula_full": "Mg1 Nb2",
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"formula_anonymous": "AB2",
"energy": -21.35968721,
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"updated_at": "2021-11-28T01:37:26.103000Z",
"spacegroup": 69
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{
"id": "mp-1063020",
"created_at": "2022-09-04T14:42:13.986730Z",
"structure_string": "Mg1 Nb2\n1.0\n1.385828 2.718458 0.000000\n-1.385828 2.718458 0.000000\n0.000000 2.055668 7.650176\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.827330 0.827330 0.662736 Nb\n0.172670 0.172670 0.337264 Nb\n",
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"updated_at": "2021-11-28T01:35:39.756000Z",
"spacegroup": 12
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{
"id": "mp-1185904",
"created_at": "2022-09-04T14:41:22.558568Z",
"structure_string": "Mg1 Nb3\n1.0\n-2.230995 2.230995 3.695127\n2.230995 -2.230995 3.695127\n2.230995 2.230995 -3.695127\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Nb\n0.750000 0.250000 0.500000 Nb\n0.250000 0.750000 0.500000 Nb\n",
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"spacegroup": 139
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{
"id": "mp-1061635",
"created_at": "2022-09-04T14:42:55.269971Z",
"structure_string": "Mg1 Nb2\n1.0\n7.836742 -1.459052 0.000000\n7.836742 1.459052 0.000000\n7.565094 0.000000 2.512511\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.777855 0.777855 0.777855 Nb\n0.222145 0.222145 0.222145 Nb\n",
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"updated_at": "2021-11-28T01:35:50.705000Z",
"spacegroup": 166
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{
"id": "mp-1185589",
"created_at": "2022-09-04T14:46:26.807921Z",
"structure_string": "Mg149 Nb1\n1.0\n13.802107 -7.968792 0.000005\n-0.000121 15.937375 -0.000006\n0.000003 -0.000006 15.603437\nMg Nb\n149 1\ndirect\n0.602506 0.000371 0.000001 Mg\n0.397864 0.000370 0.000000 Mg\n0.194419 0.194555 0.000001 Mg\n0.000131 0.194552 0.999998 Mg\n0.599727 0.199455 0.999998 Mg\n0.399877 0.199935 1.000000 Mg\n0.800059 0.199937 0.999999 Mg\n0.397864 0.397492 0.999999 Mg\n0.999628 0.397490 0.999999 Mg\n0.199675 0.399350 0.999999 Mg\n0.800546 0.400276 0.999996 Mg\n0.599726 0.400274 -0.000001 Mg\n0.199772 0.599886 0.000001 Mg\n0.400111 0.599887 0.000002 Mg\n0.800065 0.600126 0.000001 Mg\n0.602508 0.602136 0.000000 Mg\n0.999630 0.602135 0.000000 Mg\n0.199677 0.800326 -0.000000 Mg\n0.600649 0.800326 0.999999 Mg\n0.400111 0.800226 0.000000 Mg\n0.000136 0.805583 0.000002 Mg\n0.805450 0.805581 -0.000002 Mg\n0.194421 0.999868 0.000001 Mg\n0.805451 0.999868 0.000001 Mg\n0.064962 0.129921 0.161632 Mg\n0.870080 0.935041 0.161633 Mg\n0.064960 0.935040 0.161633 Mg\n0.266963 0.133482 0.165891 Mg\n0.866518 0.133480 0.165888 Mg\n0.866524 0.733043 0.165891 Mg\n0.066604 0.533303 0.166382 Mg\n0.466697 0.533304 0.166382 Mg\n0.466696 0.933393 0.166382 Mg\n0.266089 0.333196 0.166433 Mg\n0.067110 0.333201 0.166433 Mg\n0.666799 0.733908 0.166432 Mg\n0.067112 0.733912 0.166433 Mg\n0.666797 0.932887 0.166431 Mg\n0.266089 0.932891 0.166432 Mg\n0.666667 0.333334 0.166448 Mg\n0.666909 0.133320 0.166714 Mg\n0.466414 0.133321 0.166712 Mg\n0.466415 0.333093 0.166712 Mg\n0.866680 0.333092 0.166714 Mg\n0.866682 0.533589 0.166714 Mg\n0.666907 0.533590 0.166715 Mg\n0.266814 0.533630 0.166810 Mg\n0.466373 0.733188 0.166808 Mg\n0.266814 0.733187 0.166809 Mg\n0.199202 0.199503 0.331488 Mg\n0.000297 0.199503 0.331489 Mg\n0.000297 0.800795 0.331489 Mg\n0.800498 0.800795 0.331490 Mg\n0.199206 0.999706 0.331488 Mg\n0.800497 0.999701 0.331485 Mg\n0.600271 0.999961 0.333088 Mg\n0.399690 0.999962 0.333089 Mg\n0.000038 0.399730 0.333087 Mg\n0.399694 0.399728 0.333090 Mg\n0.600272 0.600310 0.333090 Mg\n0.000037 0.600307 0.333089 Mg\n0.599893 0.199788 0.333153 Mg\n0.599895 0.400107 0.333152 Mg\n0.800210 0.400105 0.333154 Mg\n0.999999 -0.000002 0.333581 Mg\n0.399797 0.199899 0.333465 Mg\n0.800103 0.199899 0.333468 Mg\n0.800102 0.600199 0.333470 Mg\n0.200150 0.400303 0.333716 Mg\n0.599697 0.799850 0.333719 Mg\n0.200152 0.799851 0.333717 Mg\n0.400022 0.599978 0.333581 Mg\n0.199958 0.599978 0.333582 Mg\n0.400019 0.800041 0.333581 Mg\n0.266274 0.133139 0.500001 Mg\n0.866864 0.133134 0.500000 Mg\n0.066654 0.133318 0.499999 Mg\n0.466926 0.133991 0.500002 Mg\n0.667064 0.133992 0.500000 Mg\n0.266511 0.332843 0.500000 Mg\n0.066328 0.332838 0.500000 Mg\n0.466927 0.332935 0.499999 Mg\n0.866009 0.332937 0.500001 Mg\n0.666667 0.333331 0.500000 Mg\n0.667064 0.533071 0.500001 Mg\n0.866013 0.533073 0.500002 Mg\n0.467188 0.532812 0.500002 Mg\n0.065623 0.532813 0.499999 Mg\n0.266469 0.532933 0.499999 Mg\n0.066331 0.733491 0.499999 Mg\n0.667160 0.733487 0.500000 Mg\n0.467069 0.733533 0.500002 Mg\n0.266464 0.733534 0.500001 Mg\n0.866865 0.733731 0.500001 Mg\n0.866685 0.933343 0.500003 Mg\n0.066660 0.933339 0.500000 Mg\n0.266510 0.933672 0.500001 Mg\n0.667160 0.933668 0.499999 Mg\n0.467187 0.934377 0.500001 Mg\n0.400019 0.599975 0.666420 Mg\n0.199958 0.599980 0.666420 Mg\n0.400022 0.800043 0.666417 Mg\n0.200153 0.400303 0.666282 Mg\n0.599696 0.799850 0.666283 Mg\n0.200153 0.799849 0.666286 Mg\n0.399794 0.199898 0.666531 Mg\n0.800103 0.199902 0.666532 Mg\n0.800102 0.600200 0.666532 Mg\n0.999999 0.999998 0.666415 Mg\n0.599893 0.199787 0.666844 Mg\n0.599896 0.400106 0.666845 Mg\n0.800212 0.400107 0.666846 Mg\n0.600272 0.999964 0.666911 Mg\n0.399694 0.999965 0.666911 Mg\n0.000035 0.399726 0.666910 Mg\n0.399695 0.399732 0.666911 Mg\n0.600270 0.600306 0.666910 Mg\n0.000036 0.600305 0.666913 Mg\n0.199205 0.199500 0.668509 Mg\n0.000297 0.199500 0.668514 Mg\n0.000294 0.800796 0.668511 Mg\n0.800497 0.800793 0.668512 Mg\n0.199208 0.999706 0.668512 Mg\n0.800496 0.999703 0.668511 Mg\n0.266817 0.533630 0.833190 Mg\n0.466372 0.733186 0.833191 Mg\n0.266813 0.733186 0.833191 Mg\n0.666906 0.133317 0.833287 Mg\n0.466412 0.133319 0.833286 Mg\n0.466414 0.333095 0.833288 Mg\n0.866682 0.333097 0.833286 Mg\n0.866683 0.533590 0.833284 Mg\n0.666907 0.533587 0.833285 Mg\n0.666667 0.333333 0.833553 Mg\n0.266091 0.333199 0.833568 Mg\n0.067110 0.333204 0.833570 Mg\n0.666798 0.733909 0.833566 Mg\n0.067108 0.733905 0.833566 Mg\n0.666797 0.932890 0.833565 Mg\n0.266093 0.932889 0.833568 Mg\n0.066606 0.533304 0.833618 Mg\n0.466695 0.533300 0.833618 Mg\n0.466695 0.933393 0.833619 Mg\n0.266960 0.133482 0.834108 Mg\n0.866519 0.133478 0.834107 Mg\n0.866521 0.733040 0.834106 Mg\n0.064961 0.129920 0.838364 Mg\n0.870080 0.935041 0.838366 Mg\n0.064964 0.935044 0.838366 Mg\n0.999985 0.999990 0.000006 Nb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 1.7970143029644023,
"density_atomic": 0.04370294558908179,
"volume": 3432.262928233244,
"volume_molar": 13.779713652766915,
"formula_full": "Mg149 Nb1",
"formula_reduced": "Mg149Nb",
"formula_anonymous": "AB149",
"energy": -251.01078095,
"energy_per_atom": -1.6734052063333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.01078095,
"band_gap": 0.1198999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.3354901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.140000Z",
"spacegroup": 187
},
{
"id": "mp-1079163",
"created_at": "2022-09-04T14:41:08.084513Z",
"structure_string": "Mg7 Nb1\n1.0\n0.000000 4.391349 4.391349\n4.391349 0.000000 4.391349\n4.391349 4.391349 0.000000\nMg Nb\n7 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 2.578987960692272,
"density_atomic": 0.04723524039602103,
"volume": 169.36507431586816,
"volume_molar": 12.749253966975235,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
"energy": -20.40206719,
"energy_per_atom": -2.55025839875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.40206719,
"band_gap": 0.2785999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0058963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.025000Z",
"spacegroup": 225
}
]
}