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{
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"results": [
{
"id": "mp-1224869",
"created_at": "2022-09-04T14:43:02.092573Z",
"structure_string": "Gd2 C1\n1.0\n6.223297 -1.823155 0.000000\n6.223297 1.823155 0.000000\n5.689192 0.000000 3.112300\nGd C\n2 1\ndirect\n0.240055 0.240055 0.240055 Gd\n0.759945 0.759945 0.759945 Gd\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-867185",
"created_at": "2022-09-04T14:42:45.436697Z",
"structure_string": "Pu6 O4\n1.0\n5.913928 -3.088564 0.000000\n5.913928 3.088564 0.000000\n4.300918 0.000000 5.100576\nPu O\n6 4\ndirect\n0.918065 0.250000 0.581935 Pu\n0.250000 0.581935 0.918065 Pu\n0.581935 0.918065 0.250000 Pu\n0.418065 0.081935 0.750000 Pu\n0.750000 0.418065 0.081935 Pu\n0.081935 0.750000 0.418065 Pu\n0.837675 0.837675 0.837675 O\n0.662325 0.662325 0.662325 O\n0.337675 0.337675 0.337675 O\n0.162325 0.162325 0.162325 O\n",
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"spacegroup": 167
},
{
"id": "mp-2848",
"created_at": "2022-09-04T14:42:15.758357Z",
"structure_string": "Pu10 Ir6\n1.0\n-5.572797 5.572797 2.791304\n5.572797 -5.572797 2.791304\n5.572797 5.572797 -2.791304\nPu Ir\n10 6\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.082475 0.779038 0.861513 Pu\n0.779038 0.917525 0.696563 Pu\n0.220962 0.082475 0.303437 Pu\n0.917525 0.220962 0.138487 Pu\n0.279038 0.582475 0.861513 Pu\n0.720962 0.417525 0.138487 Pu\n0.417525 0.279038 0.696563 Pu\n0.582475 0.720962 0.303437 Pu\n0.750000 0.750000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.164223 0.335777 0.500000 Ir\n0.335777 0.835777 0.171553 Ir\n0.664223 0.164223 0.828447 Ir\n0.835777 0.664223 0.500000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Ir-Pu",
"density": 17.207954168803614,
"density_atomic": 0.046143061610508004,
"volume": 346.7476895021715,
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"formula_full": "Pu10 Ir6",
"formula_reduced": "Pu5Ir3",
"formula_anonymous": "A3B5",
"energy": -202.58019327,
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"updated_at": "2021-11-28T01:35:45.436000Z",
"spacegroup": 140
},
{
"id": "mp-1186827",
"created_at": "2022-09-04T14:43:56.413316Z",
"structure_string": "Pu3 Zr1\n1.0\n-2.298070 2.298070 4.497924\n2.298070 -2.298070 4.497924\n2.298070 2.298070 -4.497924\nPu Zr\n3 1\ndirect\n0.749999 0.249999 0.500000 Pu\n0.249999 0.749999 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Zr\n",
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"density": 14.386942560654322,
"density_atomic": 0.04209799191288697,
"volume": 95.01640858018044,
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"formula_full": "Pu3 Zr1",
"formula_reduced": "Pu3Zr",
"formula_anonymous": "AB3",
"energy": -50.53862957,
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"updated_at": "2021-11-28T01:36:10.804000Z",
"spacegroup": 139
},
{
"id": "mp-1186817",
"created_at": "2022-09-04T14:43:15.099883Z",
"structure_string": "Pu6 Zr2\n1.0\n3.266689 -5.658071 0.000000\n3.266689 5.658071 0.000000\n0.000000 0.000000 5.393047\nPu Zr\n6 2\ndirect\n0.169039 0.338078 0.250000 Pu\n0.661922 0.830961 0.250000 Pu\n0.169039 0.830961 0.250000 Pu\n0.830961 0.661922 0.750000 Pu\n0.338078 0.169039 0.750000 Pu\n0.830961 0.169039 0.750000 Pu\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n",
"nsites": 8,
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"elements": [
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"density": 13.713765929762967,
"density_atomic": 0.04012819296194712,
"volume": 199.3610828074482,
"volume_molar": 15.007256284155863,
"formula_full": "Pu6 Zr2",
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"updated_at": "2021-11-28T01:36:10.880000Z",
"spacegroup": 194
},
{
"id": "mp-1186796",
"created_at": "2022-09-04T14:43:50.946608Z",
"structure_string": "Pu3 Ta1\n1.0\n4.199416 0.000000 0.000000\n0.000000 4.199416 0.000000\n0.000000 0.000000 4.199416\nPu Ta\n3 1\ndirect\n0.000000 0.500000 0.500000 Pu\n0.500000 0.000000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 Ta\n",
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"elements": [
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"density": 20.470496962883615,
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"volume": 74.05709901710644,
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"formula_full": "Pu3 Ta1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.700000Z",
"spacegroup": 221
},
{
"id": "mp-1210273",
"created_at": "2022-09-04T14:47:09.065231Z",
"structure_string": "Pu8 Rh2\n1.0\n0.000000 5.172878 5.172878\n5.172878 0.000000 5.172878\n5.172878 5.172878 0.000000\nPu Rh\n8 2\ndirect\n0.393391 0.393391 0.393391 Pu\n0.393391 0.393391 0.819827 Pu\n0.393391 0.819827 0.393391 Pu\n0.856609 0.856609 0.430173 Pu\n0.856609 0.856609 0.856609 Pu\n0.819827 0.393391 0.393391 Pu\n0.856609 0.430173 0.856609 Pu\n0.430173 0.856609 0.856609 Pu\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 10,
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"volume": 276.83863762793794,
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"formula_full": "Pu8 Rh2",
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},
{
"id": "mp-1219810",
"created_at": "2022-09-04T14:40:28.561452Z",
"structure_string": "Pu4 Zr1\n1.0\n-1.617975 -1.715632 1.715632\n-1.617975 1.715632 -1.715632\n-1.617975 -8.353323 -8.353323\nPu Zr\n4 1\ndirect\n0.383343 0.383343 0.233314 Pu\n0.799538 0.799538 0.400924 Pu\n0.200462 0.200462 0.599076 Pu\n0.616657 0.616657 0.766686 Pu\n0.000000 0.000000 0.000000 Zr\n",
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"formula_full": "Pu4 Zr1",
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{
"id": "mp-1187208",
"created_at": "2022-09-04T14:48:30.910622Z",
"structure_string": "Ta2 Re1 W1\n1.0\n0.000000 3.224561 3.224561\n3.224561 0.000000 3.224561\n3.224561 3.224561 0.000000\nTa Re W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 W\n",
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"volume": 67.05663973273214,
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"formula_full": "Ta2 Re1 W1",
"formula_reduced": "Ta2ReW",
"formula_anonymous": "ABC2",
"energy": -50.22985637,
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{
"id": "mp-1184544",
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"structure_string": "Gd1 Np3\n1.0\n4.609486 0.000000 0.000000\n0.000000 4.609486 0.000000\n0.000000 0.000000 4.609486\nGd Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.500000 Np\n0.000000 0.500000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
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"volume": 97.9394139154949,
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"formula_full": "Gd1 Np3",
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"spacegroup": 221
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{
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"created_at": "2022-09-04T14:41:03.963921Z",
"structure_string": "Gd1 O1\n1.0\n0.000000 2.696134 2.696134\n2.696134 0.000000 2.696134\n2.696134 2.696134 0.000000\nGd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 O\n",
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"updated_at": "2021-11-28T01:35:09.774000Z",
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{
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"created_at": "2022-09-04T14:45:31.292762Z",
"structure_string": "Np1\n1.0\n-1.643450 1.643450 1.643450\n1.643450 -1.643450 1.643450\n1.643450 1.643450 -1.643450\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n",
"nsites": 1,
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"updated_at": "2021-11-28T01:37:03.081000Z",
"spacegroup": 229
}
]
}