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{
"id": "mp-10172",
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{
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"structure_string": "Rb1 Mg6 Nb1\n1.0\n3.356652 -5.658787 0.000000\n3.356652 5.658787 0.000000\n0.000000 0.000000 5.158586\nRb Mg Nb\n1 6 1\ndirect\n0.913126 0.086874 0.000000 Rb\n0.881407 0.571655 0.000000 Mg\n0.428345 0.118593 0.000000 Mg\n0.425511 0.574489 0.000000 Mg\n0.567219 0.896826 0.500000 Mg\n0.103174 0.432781 0.500000 Mg\n0.098541 0.901459 0.500000 Mg\n0.582677 0.417323 0.500000 Nb\n",
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{
"id": "mp-1017197",
"created_at": "2022-09-04T14:46:56.438252Z",
"structure_string": "Rb2 Mg12 Cr2\n1.0\n5.242407 0.000000 0.000000\n0.000000 6.882673 0.000000\n0.000000 0.000000 11.928586\nRb Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.338677 Rb\n0.000000 0.000000 0.838677 Rb\n0.000000 0.272377 0.088601 Mg\n0.000000 0.727623 0.088601 Mg\n0.000000 0.000000 0.329627 Mg\n0.500000 0.778875 0.427908 Mg\n0.500000 0.221125 0.427908 Mg\n0.500000 0.000000 0.164088 Mg\n0.000000 0.772377 0.588601 Mg\n0.000000 0.227623 0.588601 Mg\n0.000000 0.500000 0.829627 Mg\n0.500000 0.278875 0.927908 Mg\n0.500000 0.721125 0.927908 Mg\n0.500000 0.500000 0.664088 Mg\n0.500000 0.500000 0.134590 Cr\n0.500000 0.000000 0.634590 Cr\n",
"nsites": 16,
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"chemical_system": "Cr-Mg-Rb",
"density": 2.185946250709633,
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"formula_full": "Rb2 Mg12 Cr2",
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},
{
"id": "mp-1017195",
"created_at": "2022-09-04T14:47:17.203830Z",
"structure_string": "Hf2 Mg12 Cd2\n1.0\n5.051028 0.000000 0.000000\n0.000000 6.258814 0.000000\n0.000000 0.000000 11.186990\nHf Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.669608 Hf\n0.500000 0.500000 0.169608 Hf\n0.500000 0.752342 0.918638 Mg\n0.500000 0.247658 0.918638 Mg\n0.000000 0.244523 0.583748 Mg\n0.000000 0.755477 0.583748 Mg\n0.000000 0.500000 0.831670 Mg\n0.000000 0.000000 0.828877 Mg\n0.500000 0.252342 0.418638 Mg\n0.500000 0.747658 0.418638 Mg\n0.000000 0.744523 0.083748 Mg\n0.000000 0.255477 0.083748 Mg\n0.000000 0.000000 0.331670 Mg\n0.000000 0.500000 0.328877 Mg\n0.500000 0.500000 0.665070 Cd\n0.500000 0.000000 0.165070 Cd\n",
"nsites": 16,
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"elements": [
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"density": 4.101172550935991,
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"formula_full": "Hf2 Mg12 Cd2",
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{
"id": "mp-1017192",
"created_at": "2022-09-04T14:45:13.354151Z",
"structure_string": "Rb2 Ba2 Mg12\n1.0\n5.495794 0.000000 0.000000\n0.000000 7.405931 0.000000\n0.000000 0.000000 12.642906\nRb Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.342852 Rb\n0.000000 0.000000 0.842852 Rb\n0.500000 0.500000 0.161409 Ba\n0.500000 0.000000 0.661409 Ba\n0.000000 0.775087 0.082924 Mg\n0.000000 0.224913 0.082924 Mg\n0.000000 0.500000 0.831193 Mg\n0.500000 0.716603 0.917153 Mg\n0.500000 0.283397 0.917153 Mg\n0.500000 0.500000 0.664392 Mg\n0.000000 0.275087 0.582924 Mg\n0.000000 0.724913 0.582924 Mg\n0.000000 0.000000 0.331193 Mg\n0.500000 0.216603 0.417153 Mg\n0.500000 0.783397 0.417153 Mg\n0.500000 0.000000 0.164392 Mg\n",
"nsites": 16,
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"density": 2.379066748389755,
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"formula_full": "Rb2 Ba2 Mg12",
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"updated_at": "2021-11-28T01:36:57.274000Z",
"spacegroup": 38
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{
"id": "mp-1017189",
"created_at": "2022-09-04T14:40:54.869866Z",
"structure_string": "Rb2 Hf2 Mg12\n1.0\n5.244893 0.000000 0.000000\n0.000000 6.695652 0.000000\n0.000000 0.000000 11.766034\nRb Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.422283 Rb\n0.000000 0.000000 0.922283 Rb\n0.500000 0.500000 0.080632 Hf\n0.500000 0.000000 0.580632 Hf\n0.000000 0.732722 0.165140 Mg\n0.000000 0.267278 0.165140 Mg\n0.000000 0.000000 0.423822 Mg\n0.500000 0.235876 0.323164 Mg\n0.500000 0.764124 0.323164 Mg\n0.500000 0.000000 0.096654 Mg\n0.000000 0.232722 0.665140 Mg\n0.000000 0.767278 0.665140 Mg\n0.000000 0.500000 0.923822 Mg\n0.500000 0.735876 0.823164 Mg\n0.500000 0.264124 0.823164 Mg\n0.500000 0.500000 0.596654 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.2936580815228322,
"density_atomic": 0.03872223153367974,
"volume": 413.1993267506692,
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"formula_full": "Rb2 Hf2 Mg12",
"formula_reduced": "RbHfMg6",
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"updated_at": "2021-11-28T01:35:00.912000Z",
"spacegroup": 38
},
{
"id": "mp-1017186",
"created_at": "2022-09-04T14:41:02.374795Z",
"structure_string": "Mg12 Cd2 Sb2\n1.0\n5.311131 0.000000 0.000000\n0.000000 6.477272 0.000000\n0.000000 0.000000 10.774904\nMg Cd Sb\n12 2 2\ndirect\n0.000000 0.249460 0.583712 Mg\n0.000000 0.750540 0.583712 Mg\n0.500000 0.251473 0.416759 Mg\n0.500000 0.748527 0.416759 Mg\n0.500000 0.000000 0.666901 Mg\n0.500000 0.000000 0.166118 Mg\n0.000000 0.749460 0.083712 Mg\n0.000000 0.250540 0.083712 Mg\n0.500000 0.751473 0.916759 Mg\n0.500000 0.248527 0.916759 Mg\n0.500000 0.500000 0.166901 Mg\n0.500000 0.500000 0.666118 Mg\n0.000000 0.000000 0.832724 Cd\n0.000000 0.500000 0.332724 Cd\n0.000000 0.000000 0.333318 Sb\n0.000000 0.500000 0.833318 Sb\n",
"nsites": 16,
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"volume": 370.67436967770874,
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"formula_full": "Mg12 Cd2 Sb2",
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"spacegroup": 38
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{
"id": "mp-1017184",
"created_at": "2022-09-04T14:42:12.251862Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.418015 0.000000 0.000000\n0.000000 6.280296 0.000000\n0.000000 0.000000 11.195872\nMg Cd Bi\n12 2 2\ndirect\n0.000000 0.247433 0.083775 Mg\n0.000000 0.752567 0.083775 Mg\n0.000000 0.000000 0.331848 Mg\n0.500000 0.748929 0.412771 Mg\n0.500000 0.251071 0.412771 Mg\n0.500000 0.000000 0.167658 Mg\n0.000000 0.747433 0.583775 Mg\n0.000000 0.252567 0.583775 Mg\n0.000000 0.500000 0.831848 Mg\n0.500000 0.248929 0.912771 Mg\n0.500000 0.751071 0.912771 Mg\n0.500000 0.500000 0.667658 Mg\n0.000000 0.500000 0.348171 Cd\n0.000000 0.000000 0.848171 Cd\n0.500000 0.500000 0.159231 Bi\n0.500000 0.000000 0.659231 Bi\n",
"nsites": 16,
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{
"id": "mp-1017183",
"created_at": "2022-09-04T14:39:21.863593Z",
"structure_string": "Rb2 Mg12 Cr2\n1.0\n5.354661 0.000000 0.000000\n0.000000 6.714104 0.000000\n0.000000 0.000000 11.603550\nRb Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.834327 Rb\n0.500000 0.500000 0.334327 Rb\n0.500000 0.247696 0.582834 Mg\n0.500000 0.752304 0.582834 Mg\n0.000000 0.226210 0.419639 Mg\n0.000000 0.773790 0.419639 Mg\n0.000000 0.000000 0.655470 Mg\n0.000000 0.000000 0.170835 Mg\n0.500000 0.747696 0.082834 Mg\n0.500000 0.252304 0.082834 Mg\n0.000000 0.726210 0.919639 Mg\n0.000000 0.273790 0.919639 Mg\n0.000000 0.500000 0.155470 Mg\n0.000000 0.500000 0.670835 Mg\n0.500000 0.000000 0.334427 Cr\n0.500000 0.500000 0.834427 Cr\n",
"nsites": 16,
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{
"id": "mp-1017182",
"created_at": "2022-09-04T14:47:03.107390Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.740546 0.000000 0.000000\n0.000000 6.740546 0.000000\n0.000000 0.000000 4.348825\nRb Mg W\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707916 0.292084 0.000000 Mg\n0.292084 0.707916 0.000000 Mg\n0.707916 0.707916 0.000000 Mg\n0.292084 0.292084 0.000000 Mg\n0.500000 0.500000 0.500000 W\n",
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"spacegroup": 123
},
{
"id": "mp-1017180",
"created_at": "2022-09-04T14:40:06.785684Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.381932 0.000000 0.000000\n0.000000 6.509686 0.000000\n0.000000 0.000000 10.922333\nMg Cd Bi\n12 2 2\ndirect\n0.500000 0.249525 0.583729 Mg\n0.500000 0.750475 0.583729 Mg\n0.000000 0.253802 0.417568 Mg\n0.000000 0.746198 0.417568 Mg\n0.000000 0.000000 0.666855 Mg\n0.000000 0.000000 0.164622 Mg\n0.500000 0.749525 0.083729 Mg\n0.500000 0.250475 0.083729 Mg\n0.000000 0.753802 0.917568 Mg\n0.000000 0.246198 0.917568 Mg\n0.000000 0.500000 0.166855 Mg\n0.000000 0.500000 0.664622 Mg\n0.500000 0.000000 0.832502 Cd\n0.500000 0.500000 0.332502 Cd\n0.500000 0.000000 0.333432 Bi\n0.500000 0.500000 0.833432 Bi\n",
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},
{
"id": "mp-1017179",
"created_at": "2022-09-04T14:42:39.006144Z",
"structure_string": "Rb2 Sr2 Mg12\n1.0\n5.562621 0.000000 0.000000\n0.000000 7.185408 0.000000\n0.000000 0.000000 12.450834\nRb Sr Mg\n2 2 12\ndirect\n0.000000 0.500000 0.341368 Rb\n0.000000 0.000000 0.841368 Rb\n0.500000 0.500000 0.159105 Sr\n0.500000 0.000000 0.659105 Sr\n0.000000 0.240370 0.082257 Mg\n0.000000 0.759630 0.082257 Mg\n0.000000 0.000000 0.332730 Mg\n0.500000 0.770616 0.418310 Mg\n0.500000 0.229384 0.418310 Mg\n0.500000 0.000000 0.165662 Mg\n0.000000 0.740370 0.582257 Mg\n0.000000 0.259630 0.582257 Mg\n0.000000 0.500000 0.832730 Mg\n0.500000 0.270616 0.918310 Mg\n0.500000 0.729384 0.918310 Mg\n0.500000 0.500000 0.665662 Mg\n",
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}
]
}