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{
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{
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"structure_string": "Zr1 Zn1 Pt1 Au1\n1.0\n0.000000 3.254200 3.254200\n3.254200 0.000000 3.254200\n3.254200 3.254200 0.000000\nAu Pt Zn Zr\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Pt\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zr\n",
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{
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"structure_string": "Zr1 Zn1 Pt2\n1.0\n2.282206 1.317632 3.726826\n-2.282206 1.317632 3.726826\n0.000000 -2.635264 3.726826\nPt Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.250001 0.250001 0.250001 Pt\n0.750000 0.750000 0.750000 Zn\n0.500001 0.500001 0.500001 Zr\n",
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"elements": [
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"formula_full": "Zr1 Zn1 Pt2",
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"spacegroup": 216
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{
"id": "oqmd-747495",
"created_at": "2022-09-04T15:21:39.474280Z",
"updated_at": "2022-09-04T15:21:39.474307Z",
"structure_string": "Zr1 Zn1 Pt2\n1.0\n0.000000 3.229251 3.229251\n3.229251 0.000000 3.229251\n3.229251 3.229251 0.000000\nPt Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.750001 0.750001 0.750001 Pt\n0.500000 0.500000 0.500000 Zn\n0.250001 0.250001 0.250001 Zr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Zn-Zr",
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"density_atomic": 0.059391540128351024,
"volume": 67.349659418759,
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"formula_full": "Zr1 Zn1 Pt2",
"formula_reduced": "ZrZnPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "oqmd-364586",
"created_at": "2022-09-04T14:51:41.720287Z",
"updated_at": "2022-09-04T14:51:41.720321Z",
"structure_string": "Zr1 Zn1 Pt2\n1.0\n0.000000 3.234699 3.234699\n3.234699 0.000000 3.234699\n3.234699 3.234699 0.000000\nPt Zn Zr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 4,
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"elements": [
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"volume": 67.69110731216087,
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"formula_full": "Zr1 Zn1 Pt2",
"formula_reduced": "ZrZnPt2",
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"spacegroup": 225
},
{
"id": "oqmd-1371029",
"created_at": "2022-09-04T15:46:59.878281Z",
"updated_at": "2022-09-04T15:46:59.878308Z",
"structure_string": "Zr1 Zn1 Pt2\n1.0\n-2.050013 2.050013 3.928482\n2.050013 -2.050013 3.928482\n2.050013 2.050013 -3.928482\nPt Zn Zr\n2 1 1\ndirect\n0.749999 0.250000 0.499999 Pt\n0.250000 0.749999 0.499999 Pt\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zr\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.06057061764030157,
"volume": 66.03861997501805,
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"formula_full": "Zr1 Zn1 Pt2",
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{
"id": "oqmd-1213608",
"created_at": "2022-09-04T15:39:00.091932Z",
"updated_at": "2022-09-04T15:39:00.091952Z",
"structure_string": "Zr1 Zn2 Pt2\n1.0\n-1.813567 1.813567 6.496376\n1.813567 -1.813567 6.496376\n1.813567 1.813567 -6.496376\nPt Zn Zr\n2 2 1\ndirect\n0.397548 0.397548 0.000000 Pt\n0.602452 0.602452 0.000000 Pt\n0.749999 0.249999 0.500000 Zn\n0.249999 0.749999 0.500000 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 5,
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"elements": [
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"volume": 85.46697914049446,
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"formula_full": "Zr1 Zn2 Pt2",
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{
"id": "oqmd-1213555",
"created_at": "2022-09-04T15:38:59.868926Z",
"updated_at": "2022-09-04T15:38:59.868963Z",
"structure_string": "Zr1 Zn2 Pt2\n1.0\n2.833735 -2.833735 0.000000\n2.833735 2.833735 0.000000\n-2.833735 0.000000 5.281881\nPt Zn Zr\n2 2 1\ndirect\n0.750000 0.249998 0.500000 Pt\n0.249998 0.750000 0.500000 Pt\n0.607361 0.607361 0.214723 Zn\n0.392640 0.392640 0.785279 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 5,
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"elements": [
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"volume": 84.82757983371295,
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"formula_full": "Zr1 Zn2 Pt2",
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},
{
"id": "oqmd-567512",
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"structure_string": "Zr1 Zn1 Pt1\n1.0\n0.000000 3.125255 3.125255\n3.125255 0.000000 3.125255\n3.125255 3.125255 0.000000\nPt Zn Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.249999 0.249999 0.249999 Zn\n0.750000 0.750000 0.750000 Zr\n",
"nsites": 3,
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"elements": [
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},
{
"id": "oqmd-988830",
"created_at": "2022-09-04T15:38:26.574065Z",
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"structure_string": "Zr1 Zn1 Pt1\n1.0\n0.000000 3.159593 3.159593\n3.159593 0.000000 3.159593\n3.159593 3.159593 0.000000\nPt Zn Zr\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Pt\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 3,
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{
"id": "oqmd-1370005",
"created_at": "2022-09-04T15:49:07.722377Z",
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"structure_string": "Zr3 Zn3 Pt3\n1.0\n7.235369 0.000000 0.000000\n-3.617684 6.266013 0.000000\n0.000000 0.000000 3.512679\nPt Zn Zr\n3 3 3\ndirect\n0.666666 0.333333 0.000000 Pt\n0.333333 0.666666 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.732843 0.000000 0.000000 Zn\n0.267156 0.267156 0.000000 Zn\n0.000000 0.732844 0.000000 Zn\n0.396480 0.000000 0.500000 Zr\n0.000000 0.396480 0.500000 Zr\n0.603519 0.603519 0.500000 Zr\n",
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{
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"created_at": "2022-09-04T15:38:06.638464Z",
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"structure_string": "Zr1 Zn1 Pt1\n1.0\n0.000000 3.051863 3.051863\n3.051863 0.000000 3.051863\n3.051863 3.051863 0.000000\nPt Zn Zr\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 Zr\n",
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