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{
"id": "mp-1191706",
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"structure_string": "Zr16 Ir8\n1.0\n0.000000 6.274506 6.274506\n6.274506 0.000000 6.274506\n6.274506 6.274506 0.000000\nZr Ir\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812815 0.812815 0.187185 Zr\n0.187185 0.187185 0.812815 Zr\n0.812815 0.187185 0.812815 Zr\n0.187185 0.812815 0.187185 Zr\n0.187185 0.812815 0.812815 Zr\n0.812815 0.187185 0.187185 Zr\n0.437185 0.437185 0.062815 Zr\n0.062815 0.062815 0.437185 Zr\n0.437185 0.062815 0.437185 Zr\n0.062815 0.437185 0.062815 Zr\n0.062815 0.437185 0.437185 Zr\n0.437185 0.062815 0.062815 Zr\n0.793460 0.402180 0.402180 Ir\n0.402180 0.793460 0.402180 Ir\n0.402180 0.402180 0.793460 Ir\n0.402180 0.402180 0.402180 Ir\n0.456540 0.847820 0.847820 Ir\n0.847820 0.456540 0.847820 Ir\n0.847820 0.847820 0.456540 Ir\n0.847820 0.847820 0.847820 Ir\n",
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{
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{
"id": "mp-1185877",
"created_at": "2022-09-04T14:39:48.028062Z",
"structure_string": "Mg2 Hg4\n1.0\n1.644471 6.689089 0.000000\n-1.644471 6.689089 0.000000\n0.000000 2.531245 6.375566\nMg Hg\n2 4\ndirect\n0.139081 0.139081 0.465357 Mg\n0.860919 0.860919 0.534643 Mg\n0.197550 0.197550 0.844764 Hg\n0.802450 0.802450 0.155236 Hg\n0.527933 0.527933 0.210128 Hg\n0.472067 0.472067 0.789872 Hg\n",
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"spacegroup": 12
},
{
"id": "mp-862961",
"created_at": "2022-09-04T14:40:31.674007Z",
"structure_string": "Pm1 Sn1 Rh2\n1.0\n0.000000 3.382333 3.382333\n3.382333 0.000000 3.382333\n3.382333 3.382333 0.000000\nPm Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"formula_full": "Pm1 Sn1 Rh2",
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{
"id": "mp-1226568",
"created_at": "2022-09-04T14:40:43.421230Z",
"structure_string": "Cr3 B12 Rh25\n1.0\n4.823520 0.000000 0.000000\n-0.000711 7.522123 0.000000\n-0.020910 -0.011337 12.984704\nCr B Rh\n3 12 25\ndirect\n0.009234 0.684694 0.774542 Cr\n0.012657 0.999135 0.459218 Cr\n0.008778 0.506069 0.954357 Cr\n0.726964 0.224992 0.405917 B\n0.725928 0.724061 0.906778 B\n0.724682 0.776302 0.405697 B\n0.726006 0.277256 0.906378 B\n0.734882 0.000560 0.187974 B\n0.726949 0.498599 0.686035 B\n0.236293 0.283635 0.093481 B\n0.234604 0.783844 0.595117 B\n0.235797 0.716089 0.093859 B\n0.236481 0.214535 0.593724 B\n0.236514 0.499743 0.310558 B\n0.237587 0.998218 0.809958 B\n0.498694 0.000426 0.333704 Rh\n0.500883 0.502992 0.832977 Rh\n0.005260 0.500123 0.164465 Rh\n0.007414 0.996755 0.667059 Rh\n0.837126 0.192471 0.059626 Rh\n0.832422 0.689565 0.565133 Rh\n0.834074 0.807352 0.061345 Rh\n0.834489 0.307605 0.560693 Rh\n0.837901 0.501947 0.376974 Rh\n0.836333 0.994489 0.874313 Rh\n0.326697 0.310608 0.438824 Rh\n0.315164 0.806246 0.935183 Rh\n0.325655 0.689341 0.439404 Rh\n0.325595 0.188148 0.936917 Rh\n0.336957 0.999324 0.121981 Rh\n0.323372 0.501674 0.625243 Rh\n0.487261 0.685192 0.226970 Rh\n0.489122 0.184243 0.727845 Rh\n0.487152 0.315826 0.226586 Rh\n0.502812 0.808507 0.729720 Rh\n0.501570 0.500033 0.038480 Rh\n0.502486 0.997803 0.540454 Rh\n0.984402 0.819451 0.277862 Rh\n0.986659 0.331501 0.777312 Rh\n0.985707 0.180648 0.277341 Rh\n",
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"elements": [
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"volume": 471.12545306670864,
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"formula_full": "Cr3 B12 Rh25",
"formula_reduced": "Cr3B12Rh25",
"formula_anonymous": "A3B12C25",
"energy": -303.13114177,
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{
"id": "mp-8953",
"created_at": "2022-09-04T14:43:00.164740Z",
"structure_string": "Yb3 As3 Pd3\n1.0\n3.466596 -6.004320 0.000000\n3.466596 6.004320 0.000000\n0.000000 0.000000 4.209249\nYb As Pd\n3 3 3\ndirect\n0.000000 0.578766 0.500000 Yb\n0.421234 0.421234 0.500000 Yb\n0.578766 0.000000 0.500000 Yb\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.241420 0.000000 0.000000 Pd\n0.758580 0.758580 0.000000 Pd\n0.000000 0.241420 0.000000 Pd\n",
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"volume": 175.2272618128969,
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"formula_full": "Yb3 As3 Pd3",
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"updated_at": "2021-11-28T01:36:03.892000Z",
"spacegroup": 189
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{
"id": "mp-1218970",
"created_at": "2022-09-04T14:42:54.390578Z",
"structure_string": "Sn2 Pd1 Au1\n1.0\n2.127058 -3.684172 0.000000\n2.127058 3.684172 0.000000\n0.000000 0.000000 5.687086\nSn Pd Au\n2 1 1\ndirect\n0.333333 0.666667 0.239115 Sn\n0.666667 0.333333 0.760885 Sn\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Au\n",
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"formula_full": "Sn2 Pd1 Au1",
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{
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"structure_string": "Pu1 Si2 Pd2\n1.0\n-2.022250 2.022250 5.168706\n2.022250 -2.022250 5.168706\n2.022250 2.022250 -5.168706\nPu Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.611213 0.611213 0.000000 Si\n0.388787 0.388787 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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{
"id": "mp-1072051",
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"structure_string": "Tb1 B2 Rh3\n1.0\n2.721871 -4.714419 0.000000\n2.721871 4.714419 0.000000\n0.000000 0.000000 3.141917\nTb B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Tb\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n",
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{
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{
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{
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]
}