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{
"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",
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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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"spacegroup": 38
},
{
"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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"elements": [
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"density": 2.379066748389755,
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"formula_full": "Rb2 Ba2 Mg12",
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"spacegroup": 38
},
{
"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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"density": 4.101172550935991,
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"volume": 353.6592904045325,
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"formula_full": "Hf2 Mg12 Cd2",
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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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"elements": [
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],
"chemical_system": "Cr-Mg-Rb",
"density": 2.185946250709633,
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"volume": 430.4045336217751,
"volume_molar": 16.199729282578012,
"formula_full": "Rb2 Mg12 Cr2",
"formula_reduced": "RbMg6Cr",
"formula_anonymous": "ABC6",
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{
"id": "mp-1017199",
"created_at": "2022-09-04T14:40:33.730225Z",
"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",
"nsites": 8,
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"elements": [
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],
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"density": 2.7471183584862295,
"density_atomic": 0.04082250499028435,
"volume": 195.97033552703292,
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"formula_full": "Rb1 Mg6 Nb1",
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"spacegroup": 38
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{
"id": "mp-10172",
"created_at": "2022-09-04T14:46:32.530236Z",
"structure_string": "Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n",
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{
"id": "mp-1017200",
"created_at": "2022-09-04T14:44:26.437944Z",
"structure_string": "Hf2 Mg12 Cd2\n1.0\n5.032969 0.000000 0.000000\n0.000000 6.367914 0.000000\n0.000000 0.000000 11.068130\nHf Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.169382 Hf\n0.500000 0.000000 0.669382 Hf\n0.000000 0.747345 0.083693 Mg\n0.000000 0.252655 0.083693 Mg\n0.000000 0.000000 0.332590 Mg\n0.500000 0.251572 0.418790 Mg\n0.500000 0.748428 0.418790 Mg\n0.500000 0.000000 0.165573 Mg\n0.000000 0.247345 0.583693 Mg\n0.000000 0.752655 0.583693 Mg\n0.000000 0.500000 0.832590 Mg\n0.500000 0.751572 0.918790 Mg\n0.500000 0.248428 0.918790 Mg\n0.500000 0.500000 0.665573 Mg\n0.000000 0.500000 0.327490 Cd\n0.000000 0.000000 0.827490 Cd\n",
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{
"id": "mp-1017201",
"created_at": "2022-09-04T14:41:16.171713Z",
"structure_string": "Mg12 Cd2 Sb2\n1.0\n5.359420 0.000000 0.000000\n0.000000 6.202689 0.000000\n0.000000 0.000000 11.077013\nMg Cd Sb\n12 2 2\ndirect\n0.000000 0.253282 0.088738 Mg\n0.000000 0.746718 0.088738 Mg\n0.000000 0.000000 0.332145 Mg\n0.500000 0.747612 0.409494 Mg\n0.500000 0.252388 0.409494 Mg\n0.500000 0.000000 0.166460 Mg\n0.000000 0.753282 0.588738 Mg\n0.000000 0.246718 0.588738 Mg\n0.000000 0.500000 0.832145 Mg\n0.500000 0.247612 0.909494 Mg\n0.500000 0.752388 0.909494 Mg\n0.500000 0.500000 0.666460 Mg\n0.000000 0.500000 0.353492 Cd\n0.000000 0.000000 0.853492 Cd\n0.500000 0.500000 0.151440 Sb\n0.500000 0.000000 0.651440 Sb\n",
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{
"id": "mp-1017202",
"created_at": "2022-09-04T14:48:06.315372Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n3.220334 -5.577781 0.000000\n3.220334 5.577781 0.000000\n0.000000 0.000000 5.117842\nRb Mg W\n1 6 1\ndirect\n0.333333 0.666667 0.500000 Rb\n0.814687 0.629373 0.500000 Mg\n0.370627 0.185313 0.500000 Mg\n0.814687 0.185313 0.500000 Mg\n0.156812 0.313624 0.000000 Mg\n0.686376 0.843188 0.000000 Mg\n0.156812 0.843188 0.000000 Mg\n0.666667 0.333333 0.000000 W\n",
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{
"id": "mp-1017207",
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"structure_string": "Mg6 Cd1 C1\n1.0\n3.191184 -5.573019 0.000000\n3.191184 5.573019 0.000000\n0.000000 0.000000 4.618117\nMg Cd C\n6 1 1\ndirect\n0.179954 0.399561 0.000000 Mg\n0.600439 0.820046 0.000000 Mg\n0.665247 0.334753 0.000000 Mg\n0.332440 0.179679 0.500000 Mg\n0.820321 0.667560 0.500000 Mg\n0.840582 0.159418 0.500000 Mg\n0.129218 0.870782 0.000000 Cd\n0.431799 0.568201 0.500000 C\n",
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{
"id": "mp-1017215",
"created_at": "2022-09-04T14:48:11.043311Z",
"structure_string": "Cs2 Ba2 Mg12\n1.0\n5.457150 0.000000 0.000000\n0.000000 7.673083 0.000000\n0.000000 0.000000 12.639335\nCs Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.344050 Cs\n0.000000 0.000000 0.844050 Cs\n0.500000 0.500000 0.158389 Ba\n0.500000 0.000000 0.658389 Ba\n0.000000 0.783196 0.086945 Mg\n0.000000 0.216804 0.086945 Mg\n0.000000 0.500000 0.831725 Mg\n0.500000 0.701584 0.912649 Mg\n0.500000 0.298416 0.912649 Mg\n0.500000 0.500000 0.666648 Mg\n0.000000 0.283196 0.586945 Mg\n0.000000 0.716804 0.586945 Mg\n0.000000 0.000000 0.331725 Mg\n0.500000 0.201584 0.412649 Mg\n0.500000 0.798416 0.412649 Mg\n0.500000 0.000000 0.166648 Mg\n",
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]
}