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{
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{
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{
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{
"id": "mp-20595",
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"structure_string": "Eu1 Al2 Si2\n1.0\n2.100502 -3.638176 0.000000\n2.100502 3.638176 0.000000\n0.000000 0.000000 7.058590\nEu Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.367455 Al\n0.333333 0.666667 0.632545 Al\n0.666667 0.333333 0.733457 Si\n0.333333 0.666667 0.266543 Si\n",
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{
"id": "mp-1026449",
"created_at": "2022-09-04T14:40:33.242846Z",
"structure_string": "Mg14 Ga1 Sb1\n1.0\n6.294350 -0.178444 0.000000\n-3.301712 5.718733 0.000000\n0.000000 0.000000 10.286457\nMg Ga Sb\n14 1 1\ndirect\n0.171284 0.335641 0.625000 Mg\n0.172256 0.836128 0.625000 Mg\n0.672429 0.335049 0.125000 Mg\n0.668264 0.334079 0.625000 Mg\n0.672429 0.837379 0.125000 Mg\n0.668264 0.834184 0.625000 Mg\n0.328954 0.170061 0.370692 Mg\n0.328954 0.170061 0.879308 Mg\n0.328954 0.658894 0.370692 Mg\n0.328954 0.658894 0.879308 Mg\n0.837168 0.168585 0.371351 Mg\n0.837168 0.168585 0.878649 Mg\n0.832097 0.666049 0.377871 Mg\n0.832097 0.666049 0.872129 Mg\n0.160933 0.330466 0.125000 Ga\n0.159797 0.829898 0.125000 Sb\n",
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"elements": [
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],
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"density": 2.4244307694617184,
"density_atomic": 0.04393096301965497,
"volume": 364.2078138109904,
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"formula_full": "Mg14 Ga1 Sb1",
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"spacegroup": 38
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{
"id": "mp-3507",
"created_at": "2022-09-04T14:42:07.575949Z",
"structure_string": "Lu1 Si2 Pd2\n1.0\n-2.059865 2.059865 4.981292\n2.059865 -2.059865 4.981292\n2.059865 2.059865 -4.981292\nLu Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.614939 0.614939 0.000000 Si\n0.385061 0.385061 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"volume": 84.54336090949458,
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"formula_full": "Lu1 Si2 Pd2",
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"spacegroup": 139
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{
"id": "mp-985506",
"created_at": "2022-09-04T14:39:26.480352Z",
"structure_string": "Ac6 Tl2\n1.0\n3.871300 -6.705287 0.000000\n3.871300 6.705287 0.000000\n0.000000 0.000000 6.039322\nAc Tl\n6 2\ndirect\n0.174486 0.348971 0.250000 Ac\n0.651029 0.825514 0.250000 Ac\n0.174486 0.825514 0.250000 Ac\n0.825514 0.651029 0.750000 Ac\n0.348971 0.174486 0.750000 Ac\n0.825514 0.174486 0.750000 Ac\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
"nsites": 8,
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"elements": [
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"formula_full": "Ac6 Tl2",
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},
{
"id": "mp-1028081",
"created_at": "2022-09-04T14:42:38.242269Z",
"structure_string": "Y1 Mg14 Zn1\n1.0\n6.452340 0.000000 -0.000000\n-3.226170 5.587890 -0.000000\n0.000000 -0.000000 10.257708\nY Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.177940 0.838969 0.125000 Mg\n0.163538 0.831769 0.625000 Mg\n0.661031 0.322060 0.125000 Mg\n0.668231 0.336462 0.625000 Mg\n0.661031 0.838969 0.125000 Mg\n0.668231 0.831769 0.625000 Mg\n0.331528 0.168472 0.383060 Mg\n0.331528 0.168472 0.866940 Mg\n0.331528 0.663057 0.383060 Mg\n0.331528 0.663057 0.866940 Mg\n0.836943 0.168472 0.383060 Mg\n0.836943 0.168472 0.866940 Mg\n0.833333 0.666667 0.370663 Mg\n0.833333 0.666667 0.879337 Mg\n0.166667 0.333333 0.625000 Zn\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.220621202138682,
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"volume": 369.84131484583133,
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"formula_full": "Y1 Mg14 Zn1",
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{
"id": "mp-1186670",
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"structure_string": "Pu1 As3\n1.0\n4.298002 0.000000 0.000000\n0.000000 4.298002 0.000000\n0.000000 0.000000 4.298002\nPu As\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n",
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{
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"structure_string": "Cs2 Tl1 Au1 Br6\n1.0\n0.000000 5.671998 5.671998\n5.671998 0.000000 5.671998\n5.671998 5.671998 0.000000\nCs Tl Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.758411 0.241589 0.241589 Br\n0.241589 0.241589 0.758411 Br\n0.241589 0.758411 0.758411 Br\n0.241589 0.758411 0.241589 Br\n0.758411 0.241589 0.758411 Br\n0.758411 0.758411 0.241589 Br\n",
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{
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{
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"created_at": "2022-09-04T14:43:20.825298Z",
"structure_string": "Rb2 Y2 Mg12\n1.0\n5.380951 0.000000 0.000000\n0.000000 7.323373 0.000000\n0.000000 0.000000 11.847030\nRb Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.833178 Rb\n0.500000 0.000000 0.333178 Rb\n0.500000 0.500000 0.340817 Y\n0.500000 0.000000 0.840817 Y\n0.500000 0.254850 0.080793 Mg\n0.500000 0.745150 0.080793 Mg\n0.000000 0.226241 0.928021 Mg\n0.000000 0.773759 0.928021 Mg\n0.000000 0.500000 0.163604 Mg\n0.000000 0.500000 0.644776 Mg\n0.500000 0.754850 0.580793 Mg\n0.500000 0.245150 0.580793 Mg\n0.000000 0.726241 0.428021 Mg\n0.000000 0.273759 0.428021 Mg\n0.000000 0.000000 0.663604 Mg\n0.000000 0.000000 0.144776 Mg\n",
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"formula_full": "Rb2 Y2 Mg12",
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}
]
}