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{
"id": "mp-1002228",
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"structure_string": "Pt1 C1\n1.0\n2.816051 0.000000 0.000000\n0.000000 2.816051 0.000000\n0.000000 0.000000 2.816051\nPt C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
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{
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{
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"formula_full": "Nd2 Ir4",
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"spacegroup": 227
},
{
"id": "mp-1095497",
"created_at": "2022-09-04T14:43:04.253056Z",
"structure_string": "Y3 Ir9\n1.0\n8.877866 -2.666452 0.000000\n8.877866 2.666452 0.000000\n8.077001 0.000000 4.548463\nY Ir\n3 9\ndirect\n0.860454 0.860454 0.860454 Y\n0.139546 0.139546 0.139546 Y\n0.000000 0.000000 0.000000 Y\n0.418199 0.917661 0.418199 Ir\n0.418199 0.418199 0.917661 Ir\n0.917661 0.418199 0.418199 Ir\n0.581801 0.082339 0.581801 Ir\n0.581801 0.581801 0.082339 Ir\n0.082339 0.581801 0.581801 Ir\n0.667285 0.667285 0.667285 Ir\n0.332715 0.332715 0.332715 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 12,
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"formula_full": "Y3 Ir9",
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"spacegroup": 166
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{
"id": "mp-16960",
"created_at": "2022-09-04T14:45:11.060940Z",
"structure_string": "Al8 Pt16\n1.0\n3.959625 0.000000 0.000000\n0.000000 5.510455 0.000000\n0.000000 0.000000 16.498189\nAl Pt\n8 16\ndirect\n0.000000 0.203694 0.750000 Al\n0.000000 0.796306 0.250000 Al\n0.000000 0.687318 0.591570 Al\n0.000000 0.312682 0.408430 Al\n0.000000 0.687318 0.908430 Al\n0.000000 0.312682 0.091570 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.054209 0.343601 Pt\n0.500000 0.945791 0.656399 Pt\n0.500000 0.558509 0.167577 Pt\n0.500000 0.441491 0.832423 Pt\n0.500000 0.558509 0.332423 Pt\n0.500000 0.441491 0.667577 Pt\n0.000000 0.275361 0.250000 Pt\n0.000000 0.724639 0.750000 Pt\n0.500000 0.945791 0.843601 Pt\n0.500000 0.054209 0.156399 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.200611 0.569011 Pt\n0.000000 0.799389 0.430989 Pt\n0.000000 0.200611 0.930989 Pt\n0.000000 0.799389 0.069011 Pt\n",
"nsites": 24,
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"elements": [
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"density": 15.39405591724323,
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"volume": 359.9795189433155,
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"formula_full": "Al8 Pt16",
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"updated_at": "2021-11-28T01:36:51.710000Z",
"spacegroup": 51
},
{
"id": "mp-862610",
"created_at": "2022-09-04T14:39:30.938273Z",
"structure_string": "Li1 Hf1 Ir2\n1.0\n0.000000 3.132453 3.132453\n3.132453 0.000000 3.132453\n3.132453 3.132453 0.000000\nLi Hf Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"density": 15.393500696199652,
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"volume": 61.472897806905436,
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"formula_full": "Li1 Hf1 Ir2",
"formula_reduced": "LiHfIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "mp-1079438",
"created_at": "2022-09-04T14:40:15.286335Z",
"structure_string": "Ta6 N3\n1.0\n2.659249 -4.605955 0.000000\n2.659249 4.605955 0.000000\n0.000000 0.000000 4.966065\nTa N\n6 3\ndirect\n0.666634 0.666634 0.753408 Ta\n0.000000 0.333366 0.753408 Ta\n0.333366 0.000000 0.753408 Ta\n0.333366 0.333366 0.246592 Ta\n0.000000 0.666634 0.246592 Ta\n0.666634 0.000000 0.246592 Ta\n0.666667 0.333333 0.500000 N\n0.333333 0.666667 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 9,
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"elements": [
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],
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"volume": 121.65251464401955,
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"formula_full": "Ta6 N3",
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"spacegroup": 162
},
{
"id": "mp-1102209",
"created_at": "2022-09-04T14:47:02.738805Z",
"structure_string": "Gd4 Re8\n1.0\n2.727280 -4.723787 0.000000\n2.727280 4.723787 0.000000\n0.000000 0.000000 8.873143\nGd Re\n4 8\ndirect\n0.333333 0.666667 0.437294 Gd\n0.666667 0.333333 0.562706 Gd\n0.666667 0.333333 0.937294 Gd\n0.333333 0.666667 0.062706 Gd\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.829140 0.170860 0.250000 Re\n0.829140 0.658280 0.250000 Re\n0.341720 0.170860 0.250000 Re\n0.170860 0.829140 0.750000 Re\n0.170860 0.341720 0.750000 Re\n0.658280 0.829140 0.750000 Re\n",
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"density": 15.387994914446944,
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"formula_full": "Gd4 Re8",
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{
"id": "mp-1183252",
"created_at": "2022-09-04T14:42:59.287713Z",
"structure_string": "B1 Ir1\n1.0\n1.525180 -2.641689 0.000000\n1.525180 2.641689 0.000000\n0.000000 0.000000 2.719451\nB Ir\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Ir\n",
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{
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{
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"formula_full": "Ce2 B2 Pt8",
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{
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]
}