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{
"id": "jvasp-106657",
"created_at": "2022-09-04T14:37:00.809698Z",
"updated_at": "2022-09-04T14:37:00.809723Z",
"structure_string": "Ce2 Re4 Si2 C2\n1.0\n5.855599 -0.005617 0.000000\n-4.493923 3.754028 0.000000\n-0.000000 -0.000000 7.357836\nCe Re Si C\n2 4 2 2\ndirect\n0.543208 0.456792 0.250000 Ce\n0.456792 0.543208 0.750000 Ce\n0.826388 0.173612 0.061109 Re\n0.173613 0.826388 0.938892 Re\n0.173613 0.826388 0.561109 Re\n0.826388 0.173612 0.438892 Re\n0.265187 0.734814 0.250000 Si\n0.734814 0.265186 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"structure_string": "Ce8 S8 Cl4 O2\n1.0\n9.251590 -0.038560 0.000000\n-4.743774 7.942922 0.000000\n-0.000000 -0.000000 6.915962\nCe S Cl O\n8 8 4 2\ndirect\n0.317781 0.682219 0.710503 Ce\n0.682219 0.317781 0.210504 Ce\n0.195418 0.804582 0.263305 Ce\n0.192817 0.391861 0.244177 Ce\n0.608139 0.807183 0.244177 Ce\n0.804582 0.195418 0.763305 Ce\n0.807183 0.608138 0.744177 Ce\n0.391862 0.192817 0.744177 Ce\n0.869771 0.130229 0.140785 S\n0.130230 0.869770 0.640785 S\n0.948455 0.469846 0.479005 S\n0.530154 0.051545 0.479005 S\n0.051545 0.530154 0.979005 S\n0.469846 0.948454 0.979005 S\n0.461117 0.538883 0.958052 S\n0.538883 0.461117 0.458052 S\n0.132179 0.263374 0.639861 Cl\n0.736626 0.867821 0.639861 Cl\n0.867821 0.736625 0.139861 Cl\n0.263374 0.132179 0.139861 Cl\n0.334068 0.665932 0.365167 O\n0.665933 0.334067 0.865167 O\n",
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"elements": [
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"formula_full": "Ce8 S8 Cl4 O2",
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{
"id": "jvasp-49239",
"created_at": "2022-09-04T14:37:53.569505Z",
"updated_at": "2022-09-04T14:37:53.569539Z",
"structure_string": "Ce1 Sc3 B4 O12\n1.0\n6.117905 -0.018740 -1.456156\n-1.839273 5.834911 -1.456156\n-0.013786 -0.018740 6.288797\nCe Sc B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.451758 0.548242 Sc\n0.548242 -0.000000 0.451758 Sc\n0.451759 0.548241 -0.000001 Sc\n0.500000 0.500000 0.500000 B\n0.500000 0.049816 0.950184 B\n0.950184 0.500000 0.049816 B\n0.049817 0.950183 0.500000 B\n0.500000 0.640249 0.359750 O\n0.359750 0.500000 0.640249 O\n0.640250 0.359750 0.500000 O\n0.627373 0.030729 0.799170 O\n0.030729 0.799170 0.627373 O\n0.969272 0.372627 0.200829 O\n0.200830 0.969271 0.372626 O\n0.372627 0.200830 0.969271 O\n0.500001 0.909741 0.090258 O\n0.090258 0.500000 0.909742 O\n0.909742 0.090258 0.500000 O\n0.799171 0.627373 0.030728 O\n",
"nsites": 20,
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"elements": [
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"density": 3.783297844131941,
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"volume": 223.94248814528294,
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"formula_full": "Ce1 Sc3 B4 O12",
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"formula_anonymous": "AB3C4D12",
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"spacegroup": 155
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{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Ce9 Se6 N3 O3",
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"spacegroup": 8
},
{
"id": "jvasp-100416",
"created_at": "2022-09-04T14:36:33.506392Z",
"updated_at": "2022-09-04T14:36:33.506413Z",
"structure_string": "Ce1 Si1 B1 Ir3\n1.0\n5.546452 0.000000 0.000000\n-2.773225 4.803369 -0.000000\n0.000000 0.000000 3.487812\nCe Si B Ir\n1 1 1 3\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 B\n0.160206 0.320410 0.500000 Ir\n0.679590 0.839795 0.500000 Ir\n0.160206 0.839795 0.500000 Ir\n",
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"elements": [
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"density": 13.504026004750703,
"density_atomic": 0.06457091982509096,
"volume": 92.92108609034436,
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"formula_full": "Ce1 Si1 B1 Ir3",
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"formula_anonymous": "ABCD3",
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"spacegroup": 187
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{
"id": "jvasp-102781",
"created_at": "2022-09-04T14:36:54.204756Z",
"updated_at": "2022-09-04T14:36:54.204764Z",
"structure_string": "Ce1 Si1 B1 Rh3\n1.0\n5.549305 0.000000 0.000000\n-2.774652 4.805840 0.000000\n-0.000000 -0.000000 3.410489\nCe Si B Rh\n1 1 1 3\ndirect\n0.333334 0.666667 -0.000000 Ce\n0.000000 0.000000 0.000000 Si\n0.666667 0.333333 -0.000000 B\n0.826273 0.652544 0.500000 Rh\n0.347457 0.173728 0.500000 Rh\n0.826273 0.173728 0.500000 Rh\n",
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"density": 8.904368417924479,
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"volume": 90.95457649567126,
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"formula_full": "Ce1 Si1 B1 Rh3",
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"spacegroup": 187
},
{
"id": "jvasp-85372",
"created_at": "2022-09-04T14:36:04.621478Z",
"updated_at": "2022-09-04T14:36:04.621498Z",
"structure_string": "Ce2 Si2 H2 Ru2\n1.0\n4.178062 -0.000097 0.000377\n-0.000096 4.178208 0.000015\n0.000615 -0.000009 7.148900\nCe Si H Ru\n2 2 2 2\ndirect\n0.249987 0.249997 0.669148 Ce\n0.750010 0.750002 0.330851 Ce\n0.249979 0.249989 0.166848 Si\n0.750019 0.750009 0.833150 Si\n0.749994 0.249987 0.499993 H\n0.250004 0.750014 0.500007 H\n0.750017 0.250002 -0.000011 Ru\n0.249982 0.749996 0.000009 Ru\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.192633780837804,
"density_atomic": 0.06410410363186339,
"volume": 124.7970027931807,
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"formula_full": "Ce2 Si2 H2 Ru2",
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"spacegroup": 129
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{
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"created_at": "2022-09-04T14:37:30.319196Z",
"updated_at": "2022-09-04T14:37:30.319220Z",
"structure_string": "Ce1 Si2 Mo2 C1\n1.0\n4.231966 -0.000000 0.000000\n0.000000 4.231966 0.000000\n0.000000 -0.000000 5.354318\nCe Si Mo C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.719612 Si\n0.500000 0.500000 0.280389 Si\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:36:47.619626Z",
"updated_at": "2022-09-04T14:36:47.619656Z",
"structure_string": "Ce2 Si2 Ni1 Pt1\n1.0\n4.007064 -0.002978 -6.669482\n-0.272523 3.854893 -6.753080\n-0.013374 0.002978 7.780641\nCe Si Ni Pt\n2 2 1 1\ndirect\n0.752918 0.252918 0.500000 Ce\n0.998638 0.998637 -0.000001 Ce\n0.174910 0.674909 0.500000 Si\n0.412701 0.412700 -0.000000 Si\n0.334739 0.834737 0.500000 Ni\n0.584094 0.584094 -0.000001 Pt\n",
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"volume": 119.92159505988437,
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{
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"created_at": "2022-09-04T14:38:16.538882Z",
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"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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"formula_full": "Ce2 Si4 Os1 Ru3",
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{
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"created_at": "2022-09-04T14:37:02.086466Z",
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"structure_string": "Ce2 Si2 Ru4 C2\n1.0\n5.940731 0.004331 0.000000\n-4.658418 3.686657 0.000000\n0.000000 0.000000 7.125825\nCe Si Ru C\n2 2 4 2\ndirect\n0.553070 0.446930 0.250000 Ce\n0.446930 0.553070 0.750001 Ce\n0.273313 0.726688 0.250000 Si\n0.726687 0.273313 0.750001 Si\n0.835727 0.164272 0.056408 Ru\n0.164272 0.835728 0.943592 Ru\n0.164272 0.835728 0.556409 Ru\n0.835727 0.164272 0.443592 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Ce2 Si2 Ru4 C2",
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{
"id": "jvasp-101466",
"created_at": "2022-09-04T14:36:35.985105Z",
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"structure_string": "Ce1 Si2 Ru1 Rh1\n1.0\n3.871237 -0.004984 -4.263266\n-0.581278 3.827351 -4.263266\n0.004290 0.004984 5.758637\nCe Si Ru Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.627282 0.627283 -0.000000 Si\n0.372718 0.372717 0.999999 Si\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750000 0.499999 Rh\n",
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"formula_full": "Ce1 Si2 Ru1 Rh1",
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"spacegroup": 119
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]
}