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{
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{
"id": "mp-1185795",
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"structure_string": "Mg3 Ru1\n1.0\n-2.032537 2.032537 4.248025\n2.032537 -2.032537 4.248025\n2.032537 2.032537 -4.248025\nMg Ru\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.749999 0.249999 0.500000 Mg\n0.249999 0.749999 0.500000 Mg\n0.000000 0.000000 0.000000 Ru\n",
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{
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"nsites": 40,
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"formula_full": "Nd24 Ga16",
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},
{
"id": "mp-2723",
"created_at": "2022-09-04T14:48:09.956597Z",
"structure_string": "Ir2 O4\n1.0\n4.544939 0.000000 0.000000\n0.000000 4.544939 0.000000\n0.000000 0.000000 3.189507\nIr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.691646 0.691646 0.000000 O\n0.191646 0.808354 0.500000 O\n0.308354 0.308354 0.000000 O\n0.808354 0.191646 0.500000 O\n",
"nsites": 6,
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"formula_full": "Ir2 O4",
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},
{
"id": "mp-864941",
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"structure_string": "Mg2 Sc4\n1.0\n1.664708 -8.335586 0.000000\n1.664708 8.335586 0.000000\n0.000000 0.000000 5.151516\nMg Sc\n2 4\ndirect\n0.940849 0.059151 0.750000 Mg\n0.059151 0.940849 0.250000 Mg\n0.605352 0.394648 0.750000 Sc\n0.275530 0.724470 0.750000 Sc\n0.394648 0.605352 0.250000 Sc\n0.724470 0.275530 0.250000 Sc\n",
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"formula_full": "Mg2 Sc4",
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"energy": -28.76304343,
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"spacegroup": 63
},
{
"id": "mp-11495",
"created_at": "2022-09-04T14:48:05.824109Z",
"structure_string": "Lu1 Ru1\n1.0\n3.332703 0.000000 0.000000\n0.000000 3.332703 0.000000\n0.000000 0.000000 3.332703\nLu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ru\n",
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],
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"formula_full": "Lu1 Ru1",
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"updated_at": "2021-11-28T01:38:24.461000Z",
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},
{
"id": "mp-1226718",
"created_at": "2022-09-04T14:48:09.876084Z",
"structure_string": "Cd1 Au1\n1.0\n1.560463 -2.702802 0.000000\n1.560463 2.702802 0.000000\n0.000000 0.000000 4.668022\nCd Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.500000 Au\n",
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"volume": 39.375909397146295,
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"spacegroup": 187
},
{
"id": "mp-570610",
"created_at": "2022-09-04T14:48:09.801416Z",
"structure_string": "Cd13 I26\n1.0\n2.167895 -3.754904 0.000000\n2.167895 3.754904 0.000000\n0.000000 0.000000 100.781640\nCd I\n13 26\ndirect\n0.000000 0.000000 0.711605 Cd\n0.000000 0.000000 0.480797 Cd\n0.666667 0.333333 0.634559 Cd\n0.666667 0.333333 0.096176 Cd\n0.000000 0.000000 0.557674 Cd\n0.000000 0.000000 0.019125 Cd\n0.000000 0.000000 0.403765 Cd\n0.000000 0.000000 0.326957 Cd\n0.000000 0.000000 0.173242 Cd\n0.666667 0.333333 0.788467 Cd\n0.666667 0.333333 0.865356 Cd\n0.666667 0.333333 0.249924 Cd\n0.666667 0.333333 0.942354 Cd\n0.000000 0.000000 0.882416 I\n0.333333 0.666667 0.617485 I\n0.333333 0.666667 0.540590 I\n0.666667 0.333333 0.190303 I\n0.333333 0.666667 0.232849 I\n0.000000 0.000000 0.959426 I\n0.666667 0.333333 0.344037 I\n0.333333 0.666667 0.848292 I\n0.000000 0.000000 0.651627 I\n0.333333 0.666667 0.156183 I\n0.333333 0.666667 0.771382 I\n0.333333 0.666667 0.694559 I\n0.666667 0.333333 0.420846 I\n0.333333 0.666667 0.002034 I\n0.000000 0.000000 0.267000 I\n0.333333 0.666667 0.925275 I\n0.666667 0.333333 0.574763 I\n0.666667 0.333333 0.036211 I\n0.666667 0.333333 0.728660 I\n0.333333 0.666667 0.079129 I\n0.000000 0.000000 0.113237 I\n0.333333 0.666667 0.309879 I\n0.333333 0.666667 0.463728 I\n0.000000 0.000000 0.805552 I\n0.333333 0.666667 0.386673 I\n0.666667 0.333333 0.497862 I\n",
"nsites": 39,
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],
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"volume": 1640.7729920623958,
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{
"id": "mp-1187972",
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"structure_string": "Yb6 Sn2\n1.0\n3.518960 -6.095017 0.000000\n3.518960 6.095017 0.000000\n0.000000 0.000000 5.598625\nYb Sn\n6 2\ndirect\n0.173066 0.346132 0.250000 Yb\n0.653868 0.826934 0.250000 Yb\n0.173066 0.826934 0.250000 Yb\n0.826934 0.653868 0.750000 Yb\n0.346132 0.173066 0.750000 Yb\n0.826934 0.173066 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
"id": "mp-1207019",
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"structure_string": "Br1 O1\n1.0\n2.726092 -1.853757 0.000000\n2.726092 1.853757 0.000000\n1.465527 0.000000 2.953002\nBr O\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
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{
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{
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{
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]
}