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{
"id": "oqmd-1625527",
"created_at": "2022-09-04T15:59:03.852736Z",
"updated_at": "2022-09-04T15:59:03.852762Z",
"structure_string": "Mn1 Ir1 Os6\n1.0\n5.456315 0.000000 0.000000\n-2.728158 4.725308 0.000000\n0.000000 0.000000 4.315795\nIr Mn Os\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Ir\n0.333333 0.666667 0.000000 Mn\n0.333591 0.166796 0.000000 Os\n0.833204 0.166796 0.000000 Os\n0.833204 0.666409 0.000000 Os\n0.005640 0.502820 0.500000 Os\n0.497180 0.502820 0.500000 Os\n0.497180 0.994360 0.500000 Os\n",
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{
"id": "oqmd-519260",
"created_at": "2022-09-04T15:10:10.149054Z",
"updated_at": "2022-09-04T15:10:10.149086Z",
"structure_string": "Pu1 Np2 Ta1\n1.0\n0.000000 3.302586 3.302586\n3.302586 0.000000 3.302586\n3.302586 3.302586 0.000000\nNp Pu Ta\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500001 0.500001 0.500001 Np\n0.250000 0.250000 0.250000 Pu\n0.749999 0.749999 0.749999 Ta\n",
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"volume": 72.04310168502799,
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{
"id": "oqmd-1339763",
"created_at": "2022-09-04T15:46:20.391010Z",
"updated_at": "2022-09-04T15:46:20.391035Z",
"structure_string": "Pt11 W3\n1.0\n4.576646 0.000000 0.000000\n0.000000 9.734101 2.426379\n0.000000 -9.734101 2.426379\nPt W\n11 3\ndirect\n0.500000 0.298012 0.015599 Pt\n0.000000 0.553535 0.124392 Pt\n0.000000 0.409008 0.267052 Pt\n0.500000 0.015599 0.298012 Pt\n0.000000 0.267052 0.409008 Pt\n0.500000 0.882317 0.458301 Pt\n0.000000 0.124392 0.553535 Pt\n0.500000 0.738283 0.597390 Pt\n0.500000 0.597390 0.738283 Pt\n0.000000 0.854404 0.854404 Pt\n0.500000 0.458301 0.882317 Pt\n0.500000 0.168316 0.168316 W\n0.000000 0.980947 0.692439 W\n0.000000 0.692439 0.980947 W\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"chemical_system": "Pt-W",
"density": 20.719044875835486,
"density_atomic": 0.06475841818307246,
"volume": 216.1881094813328,
"volume_molar": 9.299394470963405,
"formula_full": "Pt11 W3",
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"formula_anonymous": "A3B11",
"formation_energy": -0.252982674285714,
"spacegroup": 38
},
{
"id": "oqmd-369370",
"created_at": "2022-09-04T14:52:41.107818Z",
"updated_at": "2022-09-04T14:52:41.107841Z",
"structure_string": "Pu1 Ir1 Os2\n1.0\n0.000000 3.198890 3.198890\n3.198890 0.000000 3.198890\n3.198890 3.198890 0.000000\nIr Os Pu\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Ir\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.749999 0.749999 0.749999 Pu\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Os-Pu",
"density": 20.714359428327462,
"density_atomic": 0.06109871504828972,
"volume": 65.46782525358475,
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"formula_full": "Pu1 Ir1 Os2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "oqmd-310805",
"created_at": "2022-09-04T14:50:13.995473Z",
"updated_at": "2022-09-04T14:50:13.995495Z",
"structure_string": "Np3 Ir1\n1.0\n0.000000 3.308336 3.308336\n3.308336 0.000000 3.308336\n3.308336 3.308336 0.000000\nIr Np\n1 3\ndirect\n0.750001 0.750001 0.750001 Ir\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Np\n0.500001 0.500001 0.500001 Np\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Np",
"density": 20.710108424891608,
"density_atomic": 0.05523332184077998,
"volume": 72.42005127865968,
"volume_molar": 10.903093566162665,
"formula_full": "Np3 Ir1",
"formula_reduced": "Np3Ir",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "oqmd-307769",
"created_at": "2022-09-04T15:03:40.099213Z",
"updated_at": "2022-09-04T15:03:40.099235Z",
"structure_string": "Pu1 Np1\n1.0\n3.378723 0.000000 0.000000\n0.000000 3.378723 0.000000\n0.000000 0.000000 3.378723\nNp Pu\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Pu\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Np-Pu",
"density": 20.707916697414824,
"density_atomic": 0.051852802179327286,
"volume": 38.57072165710962,
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"formula_full": "Pu1 Np1",
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{
"id": "oqmd-1147542",
"created_at": "2022-09-04T15:49:34.493172Z",
"updated_at": "2022-09-04T15:49:34.493196Z",
"structure_string": "Ir1 Os2 W1\n1.0\n0.000000 3.118671 3.118671\n3.118671 0.000000 3.118671\n3.118671 3.118671 0.000000\nIr Os W\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Ir\n0.000000 0.000000 0.000000 Os\n0.750001 0.750001 0.750001 Os\n0.500000 0.500000 0.500000 W\n",
"nsites": 4,
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"elements": [
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"volume": 60.66506695373685,
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"formula_full": "Ir1 Os2 W1",
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"spacegroup": 216
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{
"id": "oqmd-1339477",
"created_at": "2022-09-04T15:46:07.090371Z",
"updated_at": "2022-09-04T15:46:07.090388Z",
"structure_string": "Pt5 W1\n1.0\n2.421538 1.398076 4.578973\n-2.421538 1.398076 4.578973\n0.000000 -2.796151 4.578973\nPt W\n5 1\ndirect\n0.831970 0.499999 0.168032 Pt\n0.333131 0.333131 0.333131 Pt\n0.168031 0.831969 0.500000 Pt\n0.666869 0.666869 0.666869 Pt\n0.500001 0.168031 0.831968 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density": 20.69610646062267,
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"volume": 93.01249594986862,
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"formula_full": "Pt5 W1",
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"spacegroup": 155
},
{
"id": "oqmd-1374292",
"created_at": "2022-09-04T15:47:11.640844Z",
"updated_at": "2022-09-04T15:47:11.640868Z",
"structure_string": "Pt4 W1\n1.0\n-3.140202 3.140202 1.961642\n3.140202 -3.140202 1.961642\n3.140202 3.140202 -1.961642\nPt W\n4 1\ndirect\n0.793960 0.397251 0.191212 Pt\n0.602748 0.793960 0.396709 Pt\n0.397252 0.206039 0.603291 Pt\n0.206039 0.602748 0.808787 Pt\n0.000000 0.000000 0.000000 W\n",
"nsites": 5,
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"elements": [
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"volume": 77.37397601527344,
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"formula_anonymous": "AB4",
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"spacegroup": 87
},
{
"id": "oqmd-1215183",
"created_at": "2022-09-04T15:39:04.190270Z",
"updated_at": "2022-09-04T15:39:04.190299Z",
"structure_string": "Pt1\n1.0\n1.575993 1.575993 1.575993\n1.575993 -1.575993 -1.575993\n-1.575993 1.575993 -1.575993\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
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"elements": [
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"formula_full": "Pt1",
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"formula_anonymous": "A",
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"spacegroup": 229
},
{
"id": "oqmd-518430",
"created_at": "2022-09-04T15:10:05.538650Z",
"updated_at": "2022-09-04T15:10:05.538671Z",
"structure_string": "Pu1 Np2 Mn1\n1.0\n0.000000 3.142058 3.142058\n3.142058 0.000000 3.142058\n3.142058 3.142058 0.000000\nMn Np Pu\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.750000 0.750000 0.750000 Pu\n",
"nsites": 4,
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{
"id": "oqmd-7519",
"created_at": "2022-09-04T14:48:48.074273Z",
"updated_at": "2022-09-04T14:48:48.074301Z",
"structure_string": "Re1\n1.0\n1.955088 -1.955088 0.000000\n-1.955088 0.000000 -1.955088\n1.955088 1.955088 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
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