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{
"id": "mp-1016609",
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"structure_string": "Ba2 Mg12 Sb2\n1.0\n5.117381 0.000000 0.000000\n0.000000 7.193186 0.000000\n0.000000 0.000000 12.188529\nBa Mg Sb\n2 12 2\ndirect\n0.000000 0.500000 0.328391 Ba\n0.000000 0.000000 0.828391 Ba\n0.000000 0.253135 0.078034 Mg\n0.000000 0.746865 0.078034 Mg\n0.000000 0.500000 0.841893 Mg\n0.500000 0.287527 0.930718 Mg\n0.500000 0.712473 0.930718 Mg\n0.500000 0.500000 0.669213 Mg\n0.000000 0.753135 0.578034 Mg\n0.000000 0.246865 0.578034 Mg\n0.000000 0.000000 0.341893 Mg\n0.500000 0.787527 0.430718 Mg\n0.500000 0.212473 0.430718 Mg\n0.500000 0.000000 0.169213 Mg\n0.500000 0.500000 0.142999 Sb\n0.500000 0.000000 0.642999 Sb\n",
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{
"id": "mp-20452",
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"structure_string": "Ba2 Mg4 Pb4\n1.0\n5.030288 0.000000 0.000000\n0.000000 5.030288 0.000000\n0.000000 0.000000 12.437903\nBa Mg Pb\n2 4 4\ndirect\n0.000000 0.500000 0.747217 Ba\n0.500000 0.000000 0.252783 Ba\n0.500000 0.000000 0.635744 Mg\n0.000000 0.500000 0.364256 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.865329 Pb\n0.000000 0.500000 0.134671 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n",
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"formula_full": "Ba2 Mg4 Pb4",
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"updated_at": "2021-11-28T01:38:22.223000Z",
"spacegroup": 129
},
{
"id": "mp-1018653",
"created_at": "2022-09-04T14:40:30.741913Z",
"structure_string": "Ba2 Mg2 Pb2\n1.0\n5.088415 0.000000 0.000000\n0.000000 5.088415 0.000000\n0.000000 0.000000 8.533223\nBa Mg Pb\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.648923 Mg\n0.000000 0.500000 0.351077 Mg\n0.500000 0.000000 0.305499 Pb\n0.000000 0.500000 0.694501 Pb\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Mg-Pb",
"density": 5.544080697133141,
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"formula_full": "Ba2 Mg2 Pb2",
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"updated_at": "2021-11-28T01:35:01.351000Z",
"spacegroup": 129
},
{
"id": "mp-8278",
"created_at": "2022-09-04T14:44:17.773440Z",
"structure_string": "Ba1 Mg2 P2\n1.0\n2.195302 -3.802374 0.000000\n2.195302 3.802374 0.000000\n0.000000 0.000000 7.620548\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376927 Mg\n0.333333 0.666667 0.623073 Mg\n0.666667 0.333333 0.723244 P\n0.333333 0.666667 0.276756 P\n",
"nsites": 5,
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"elements": [
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"formula_full": "Ba1 Mg2 P2",
"formula_reduced": "Ba(MgP)2",
"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:36:38.146000Z",
"spacegroup": 164
},
{
"id": "mp-631498",
"created_at": "2022-09-04T14:47:19.407820Z",
"structure_string": "Ba1 Mg1 Os2\n1.0\n0.000000 3.418494 3.418494\n3.418494 0.000000 3.418494\n3.418494 3.418494 0.000000\nBa Mg Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ba1 Mg1 Os2",
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"spacegroup": 225
},
{
"id": "mp-1024040",
"created_at": "2022-09-04T14:47:21.209317Z",
"structure_string": "Ba1 Mg3 O4\n1.0\n4.841308 0.000000 -0.000000\n0.000000 4.841308 -0.000000\n0.000000 0.000000 4.841308\nBa Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"elements": [
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"density": 4.013202973278076,
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"formula_full": "Ba1 Mg3 O4",
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"formula_anonymous": "AB3C4",
"energy": -45.15831293,
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"updated_at": "2021-11-28T01:38:07.531000Z",
"spacegroup": 221
},
{
"id": "mp-756018",
"created_at": "2022-09-04T14:41:48.502157Z",
"structure_string": "Ba3 Mg3 O6\n1.0\n2.987720 -5.174884 0.000000\n2.987720 5.174884 0.000000\n0.000000 0.000000 6.838510\nBa Mg O\n3 3 6\ndirect\n0.000000 0.653650 0.166667 Ba\n0.346350 0.346350 0.500000 Ba\n0.653650 0.000000 0.833333 Ba\n0.000000 0.574765 0.666667 Mg\n0.425235 0.425235 0.000000 Mg\n0.574765 0.000000 0.333333 Mg\n0.297598 0.869018 0.540124 O\n0.130982 0.428580 0.873457 O\n0.571420 0.702402 0.206791 O\n0.428580 0.130982 0.126543 O\n0.702402 0.571420 0.793209 O\n0.869018 0.297598 0.459876 O\n",
"nsites": 12,
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],
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"density": 4.561553749238541,
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"volume": 211.46183443570143,
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"formula_full": "Ba3 Mg3 O6",
"formula_reduced": "BaMgO2",
"formula_anonymous": "ABC2",
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"spacegroup": 152
},
{
"id": "mp-779511",
"created_at": "2022-09-04T14:39:26.851212Z",
"structure_string": "Ba8 Mg4 O12\n1.0\n5.787856 3.000531 0.000000\n-5.787856 3.000531 0.000000\n0.000000 0.636669 12.725462\nBa Mg O\n8 4 12\ndirect\n0.868467 0.651980 0.424920 Ba\n0.969355 0.555102 0.850187 Ba\n0.555102 0.969355 0.350187 Ba\n0.348020 0.131533 0.075080 Ba\n0.651980 0.868467 0.924920 Ba\n0.444898 0.030645 0.649813 Ba\n0.030645 0.444898 0.149813 Ba\n0.131533 0.348020 0.575080 Ba\n0.738053 0.730464 0.665952 Mg\n0.730464 0.738053 0.165952 Mg\n0.269536 0.261947 0.834048 Mg\n0.261947 0.269536 0.334048 Mg\n0.879936 0.682403 0.037533 O\n0.847737 0.505062 0.632649 O\n0.587424 0.412576 0.250000 O\n0.997972 0.002028 0.250000 O\n0.494938 0.152263 0.867351 O\n0.317597 0.120064 0.462467 O\n0.682403 0.879936 0.537533 O\n0.505062 0.847737 0.132649 O\n0.412576 0.587424 0.750000 O\n0.002028 0.997972 0.750000 O\n0.152263 0.494938 0.367351 O\n0.120064 0.317597 0.962467 O\n",
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{
"id": "mp-1028370",
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"structure_string": "Ba1 Mg14 Ni1\n1.0\n6.612960 0.240187 0.000000\n-3.098472 5.366710 0.000000\n0.000000 0.000000 10.504004\nBa Mg Ni\n1 14 1\ndirect\n0.123353 0.811676 0.125000 Ba\n0.156829 0.328414 0.625000 Mg\n0.167325 0.833662 0.625000 Mg\n0.616079 0.319989 0.125000 Mg\n0.662530 0.326436 0.625000 Mg\n0.616079 0.796088 0.125000 Mg\n0.662530 0.836093 0.625000 Mg\n0.348225 0.180857 0.383193 Mg\n0.348225 0.180857 0.866807 Mg\n0.348225 0.667369 0.383193 Mg\n0.348225 0.667369 0.866807 Mg\n0.870550 0.185275 0.341451 Mg\n0.870550 0.185275 0.908549 Mg\n0.828056 0.664028 0.396414 Mg\n0.828056 0.664028 0.853586 Mg\n0.205165 0.352582 0.125000 Ni\n",
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{
"id": "mp-1099078",
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"structure_string": "Ba1 Mg14 Ni1\n1.0\n3.230539 -5.595457 0.000000\n3.230539 5.595457 0.000000\n0.000000 0.000000 10.609183\nBa Mg Ni\n1 14 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.987291 0.493646 0.000000 Mg\n0.011915 0.505957 0.500000 Mg\n0.506354 0.012709 0.000000 Mg\n0.494043 0.988085 0.500000 Mg\n0.506354 0.493646 0.000000 Mg\n0.494043 0.505957 0.500000 Mg\n0.161203 0.838797 0.220237 Mg\n0.161203 0.838797 0.779763 Mg\n0.161203 0.322406 0.220237 Mg\n0.161203 0.322406 0.779763 Mg\n0.677594 0.838797 0.220237 Mg\n0.677594 0.838797 0.779763 Mg\n0.666667 0.333333 0.266805 Mg\n0.666667 0.333333 0.733195 Mg\n0.000000 0.000000 0.000000 Ni\n",
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"spacegroup": 187
},
{
"id": "mp-1022026",
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"structure_string": "Ba1 Mg6 Ni1\n1.0\n3.131115 -7.408281 0.000000\n3.131115 7.408281 0.000000\n0.000000 0.000000 4.506993\nBa Mg Ni\n1 6 1\ndirect\n0.279445 0.720555 0.500000 Ba\n0.206392 0.300412 0.000000 Mg\n0.699588 0.793608 0.000000 Mg\n0.690509 0.309491 0.000000 Mg\n0.317164 0.165154 0.500000 Mg\n0.834846 0.682836 0.500000 Mg\n0.870484 0.129516 0.500000 Mg\n0.101572 0.898428 0.000000 Ni\n",
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{
"id": "mp-1022055",
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"structure_string": "Ba2 Mg12 Ni2\n1.0\n5.002088 0.000000 0.000000\n0.000000 6.024488 0.000000\n0.000000 0.000000 13.689253\nBa Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.201813 Ba\n0.500000 0.000000 0.701813 Ba\n0.500000 0.245214 0.443576 Mg\n0.500000 0.754786 0.443576 Mg\n0.000000 0.764058 0.075295 Mg\n0.000000 0.235942 0.075295 Mg\n0.000000 0.000000 0.294264 Mg\n0.000000 0.500000 0.371054 Mg\n0.500000 0.745214 0.943576 Mg\n0.500000 0.254786 0.943576 Mg\n0.000000 0.264058 0.575295 Mg\n0.000000 0.735942 0.575295 Mg\n0.000000 0.500000 0.794264 Mg\n0.000000 0.000000 0.871054 Mg\n0.500000 0.000000 0.095123 Ni\n0.500000 0.500000 0.595123 Ni\n",
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}
]
}