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{
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"results": [
{
"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",
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{
"id": "mp-1186796",
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"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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"updated_at": "2021-11-28T01:36:18.700000Z",
"spacegroup": 221
},
{
"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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],
"chemical_system": "Pu-Zr",
"density": 13.713765929762967,
"density_atomic": 0.04012819296194712,
"volume": 199.3610828074482,
"volume_molar": 15.007256284155863,
"formula_full": "Pu6 Zr2",
"formula_reduced": "Pu3Zr",
"formula_anonymous": "AB3",
"energy": -101.06098699,
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"updated_at": "2021-11-28T01:36:10.880000Z",
"spacegroup": 194
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 14.386942560654322,
"density_atomic": 0.04209799191288697,
"volume": 95.01640858018044,
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"formula_full": "Pu3 Zr1",
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"updated_at": "2021-11-28T01:36:10.804000Z",
"spacegroup": 139
},
{
"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,
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"elements": [
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"chemical_system": "Ir-Pu",
"density": 17.207954168803614,
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"volume": 346.7476895021715,
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"formula_full": "Pu10 Ir6",
"formula_reduced": "Pu5Ir3",
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"updated_at": "2021-11-28T01:35:45.436000Z",
"spacegroup": 140
},
{
"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",
"nsites": 10,
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"elements": [
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],
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"density": 13.617265745881404,
"density_atomic": 0.05366833764422367,
"volume": 186.32960212577595,
"volume_molar": 11.221030917562178,
"formula_full": "Pu6 O4",
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"formula_anonymous": "A2B3",
"energy": -126.81026483,
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"updated_at": "2021-11-28T01:35:52.744000Z",
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},
{
"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",
"nsites": 3,
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"elements": [
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],
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"density": 7.676989498437972,
"density_atomic": 0.04247815895951835,
"volume": 70.62452972265106,
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"formula_full": "Gd2 C1",
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"energy": -38.14784353,
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"updated_at": "2021-11-28T01:36:02.006000Z",
"spacegroup": 166
},
{
"id": "mp-1105020",
"created_at": "2022-09-04T14:39:25.512287Z",
"structure_string": "Pu12 Co2\n1.0\n0.000000 0.000000 5.188097\n-5.278492 5.278492 2.594049\n-5.278492 -5.278492 2.594049\nPu Co\n12 2\ndirect\n0.097213 0.500000 0.305573 Pu\n0.902787 0.500000 0.694427 Pu\n0.402787 0.694427 0.500000 Pu\n0.597213 0.305573 0.500000 Pu\n0.097628 0.116571 0.688174 Pu\n0.902372 0.883429 0.311826 Pu\n0.785802 0.311826 0.116571 Pu\n0.402372 0.311826 0.883429 Pu\n0.214198 0.688174 0.883429 Pu\n0.597628 0.688174 0.116571 Pu\n0.714198 0.883429 0.688174 Pu\n0.285802 0.116571 0.311826 Pu\n0.250000 0.000000 0.000000 Co\n0.750000 0.000000 0.000000 Co\n",
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"elements": [
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"volume": 289.10647491190014,
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"formula_full": "Pu12 Co2",
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"energy": -178.02702167,
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{
"id": "mp-1219490",
"created_at": "2022-09-04T14:43:21.120887Z",
"structure_string": "Re1 W2\n1.0\n0.000000 2.244665 6.733286\n1.577158 0.000000 6.733286\n1.577158 2.244665 0.000000\nRe W\n1 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.334035 0.334035 0.665965 W\n0.665965 0.665965 0.334035 W\n",
"nsites": 3,
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"density": 19.29240960912995,
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"formula_full": "Re1 W2",
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"spacegroup": 69
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{
"id": "mp-1103797",
"created_at": "2022-09-04T14:43:43.858307Z",
"structure_string": "Pu4 Re8\n1.0\n-2.779590 -4.871018 0.000000\n-2.779590 4.871018 0.000000\n0.000000 0.000000 -7.957041\nPu Re\n4 8\ndirect\n0.666660 0.333340 0.603352 Pu\n0.333340 0.666660 0.396648 Pu\n0.333340 0.666660 0.103352 Pu\n0.666660 0.333340 0.896648 Pu\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.173466 0.346831 0.750000 Re\n0.172479 0.827521 0.750000 Re\n0.653169 0.826534 0.750000 Re\n0.826534 0.653169 0.250000 Re\n0.827521 0.172479 0.250000 Re\n0.346831 0.173466 0.250000 Re\n",
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"volume": 215.46764576407435,
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"formula_full": "Pu4 Re8",
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{
"id": "mp-1106170",
"created_at": "2022-09-04T14:45:24.679886Z",
"structure_string": "Gd12 Pt4\n1.0\n6.537278 0.000000 0.000000\n0.000000 7.180227 0.000000\n0.000000 0.000000 9.764928\nGd Pt\n12 4\ndirect\n0.324963 0.679560 0.060108 Gd\n0.175037 0.179560 0.439892 Gd\n0.675037 0.320440 0.560108 Gd\n0.824963 0.820440 0.939892 Gd\n0.675037 0.320440 0.939892 Gd\n0.824963 0.820440 0.560108 Gd\n0.324963 0.679560 0.439892 Gd\n0.175037 0.179560 0.060108 Gd\n0.864818 0.530149 0.250000 Gd\n0.635182 0.030149 0.250000 Gd\n0.135182 0.469851 0.750000 Gd\n0.364818 0.969851 0.750000 Gd\n0.054910 0.887643 0.250000 Pt\n0.445090 0.387643 0.250000 Pt\n0.945090 0.112357 0.750000 Pt\n0.554910 0.612357 0.750000 Pt\n",
"nsites": 16,
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"elements": [
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"density": 9.66323742264326,
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"volume": 458.3573225024849,
"volume_molar": 17.25182696554175,
"formula_full": "Gd12 Pt4",
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"formula_anonymous": "AB3",
"energy": -204.03466576,
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"updated_at": "2021-11-28T01:37:06.471000Z",
"spacegroup": 62
},
{
"id": "mp-1219491",
"created_at": "2022-09-04T14:39:30.452610Z",
"structure_string": "Re1 W3\n1.0\n1.578770 -2.245371 0.000000\n1.578770 2.245371 0.000000\n0.000000 0.000000 8.979683\nRe W\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.750720 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.249280 W\n",
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"density": 19.24184891226041,
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"volume": 63.664594269060295,
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"formula_full": "Re1 W3",
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"updated_at": "2021-11-28T01:34:38.508000Z",
"spacegroup": 65
}
]
}