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{
"id": "jvasp-15128",
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"updated_at": "2022-09-04T14:37:03.118004Z",
"structure_string": "Ce1 Fe2 Si2\n1.0\n3.761740 -0.000000 -1.411414\n-0.529566 3.724277 -1.411414\n-0.066470 -0.076591 5.541492\nCe Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.750001 0.500001 Fe\n0.750000 0.250000 0.500001 Fe\n0.636157 0.636158 0.272316 Si\n0.363842 0.363843 0.727685 Si\n",
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{
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"structure_string": "Ce2 Fe2 Si2\n1.0\n4.055488 0.000000 -0.000000\n0.000000 4.055488 0.000000\n-0.000000 0.000000 6.620791\nCe Fe Si\n2 2 2\ndirect\n0.500000 0.000000 0.312234 Ce\n0.000000 0.500000 0.687766 Ce\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.819151 Si\n0.000000 0.500000 0.180849 Si\n",
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{
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"structure_string": "Ce2 Fe2 Sb4\n1.0\n4.357001 -0.000000 -0.000000\n-0.000000 4.357001 0.000000\n-0.000000 0.000000 9.543067\nCe Fe Sb\n2 2 4\ndirect\n0.750000 0.750000 0.732332 Ce\n0.250000 0.250000 0.267669 Ce\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.357108 Sb\n0.250000 0.250000 0.642892 Sb\n",
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"volume": 181.1604088563784,
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"formula_full": "Ce2 Fe2 Sb4",
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"spacegroup": 129
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{
"id": "jvasp-91534",
"created_at": "2022-09-04T14:36:00.434591Z",
"updated_at": "2022-09-04T14:36:00.434613Z",
"structure_string": "Ce2 Fe2 Sb4\n1.0\n4.356880 0.000000 -0.000000\n-0.000000 4.356880 -0.000000\n-0.000000 -0.000000 9.543239\nCe Fe Sb\n2 2 4\ndirect\n0.750000 0.750000 0.732371 Ce\n0.250000 0.250000 0.267629 Ce\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.357106 Sb\n0.250000 0.250000 0.642894 Sb\n",
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"formula_full": "Ce2 Fe2 Sb4",
"formula_reduced": "CeFeSb2",
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"spacegroup": 129
},
{
"id": "jvasp-11434",
"created_at": "2022-09-04T14:37:14.604692Z",
"updated_at": "2022-09-04T14:37:14.604710Z",
"structure_string": "Ce1 Fe4 P12\n1.0\n6.394718 -0.000000 -2.260874\n-3.197359 5.537989 -2.260874\n-0.000000 -0.000000 6.782623\nCe Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n-0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.649869 0.498588 0.848719 P\n0.848719 0.350132 0.198852 P\n0.649869 0.801149 0.151282 P\n0.498588 0.848719 0.649869 P\n0.151281 0.649869 0.801149 P\n0.501413 0.151281 0.350132 P\n0.350132 0.501413 0.151281 P\n0.151281 0.350132 0.501413 P\n0.801149 0.151281 0.649869 P\n0.198852 0.848719 0.350132 P\n0.350132 0.198852 0.848719 P\n0.848719 0.649869 0.498588 P\n",
"nsites": 17,
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"elements": [
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"density": 5.082440379812716,
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"volume": 240.19898304929367,
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"formula_full": "Ce1 Fe4 P12",
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{
"id": "jvasp-15707",
"created_at": "2022-09-04T14:36:13.831856Z",
"updated_at": "2022-09-04T14:36:13.831884Z",
"structure_string": "Ce1 Fe2 P2\n1.0\n3.597197 0.000000 -1.258547\n-0.440327 3.570145 -1.258547\n0.009510 0.010755 5.797232\nCe Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750002 0.500000 Fe\n0.750001 0.250001 0.500000 Fe\n0.642211 0.642212 0.284421 P\n0.357790 0.357791 0.715578 P\n",
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"formula_full": "Ce1 Fe2 P2",
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{
"id": "jvasp-41248",
"created_at": "2022-09-04T14:37:32.686432Z",
"updated_at": "2022-09-04T14:37:32.686462Z",
"structure_string": "Ce1 Fe1 O3\n1.0\n3.762087 -0.000000 0.000000\n0.000000 3.762087 -0.000000\n0.000000 0.000000 3.762087\nCe Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"density_atomic": 0.09390387208175931,
"volume": 53.2459406535084,
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"spacegroup": 221
},
{
"id": "jvasp-17806",
"created_at": "2022-09-04T14:38:11.346101Z",
"updated_at": "2022-09-04T14:38:11.346127Z",
"structure_string": "Ce1 Fe1 Ge3\n1.0\n3.996110 -0.000000 -1.595134\n-0.636733 3.945055 -1.595134\n0.009247 0.010858 5.826232\nCe Fe Ge\n1 1 3\ndirect\n0.326011 0.326011 0.652022 Ce\n0.000386 0.000386 0.000771 Fe\n0.589242 0.089241 0.178483 Ge\n0.773522 0.773522 0.547044 Ge\n0.089242 0.589242 0.178483 Ge\n",
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{
"id": "jvasp-101734",
"created_at": "2022-09-04T14:37:14.626174Z",
"updated_at": "2022-09-04T14:37:14.626194Z",
"structure_string": "Ce2 Fe2 Co2\n1.0\n4.464175 0.086564 -2.411660\n-1.370671 4.041243 -2.746283\n-0.025321 -0.086564 5.073886\nCe Fe Co\n2 2 2\ndirect\n0.127242 0.877242 0.250001 Ce\n0.872757 0.122758 0.750000 Ce\n0.499999 -0.000001 -0.000001 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500001 Co\n0.499999 0.499999 -0.000000 Co\n",
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"formula_full": "Ce2 Fe2 Co2",
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{
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"created_at": "2022-09-04T14:36:45.307587Z",
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"structure_string": "Ce2 Fe2 As2 O2\n1.0\n3.956439 0.000601 0.006491\n-0.000224 3.956518 0.005381\n-0.013476 -0.010667 8.060780\nCe Fe As O\n2 2 2 2\ndirect\n0.246317 0.748838 0.844766 Ce\n0.746319 0.248823 0.152989 Ce\n0.246355 0.248801 0.498871 Fe\n0.746360 0.748808 0.498876 Fe\n0.246353 0.748811 0.347513 As\n0.746354 0.248803 0.650235 As\n0.246315 0.248832 0.998875 O\n0.746316 0.748831 0.998879 O\n",
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{
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"created_at": "2022-09-04T14:37:56.319536Z",
"updated_at": "2022-09-04T14:37:56.319565Z",
"structure_string": "Ce1 Fe4 As12\n1.0\n-4.176316 -4.176316 4.176316\n-4.176316 4.176316 -4.176316\n4.176316 -4.176316 -4.176316\nCe Fe As\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.497196 0.155989 0.341206 As\n0.502805 0.844012 0.658795 As\n0.341206 0.185217 0.844012 As\n0.658795 0.814784 0.155989 As\n0.341206 0.497196 0.155989 As\n0.844012 0.341206 0.185217 As\n0.814784 0.155989 0.658795 As\n0.155989 0.658795 0.814784 As\n0.155989 0.341206 0.497196 As\n0.844012 0.658795 0.502805 As\n0.658795 0.502805 0.844012 As\n0.185217 0.844012 0.341206 As\n",
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{
"id": "jvasp-119628",
"created_at": "2022-09-04T14:38:49.711478Z",
"updated_at": "2022-09-04T14:38:49.711507Z",
"structure_string": "Ce2 Fe18 Si8\n1.0\n6.728167 0.000000 -3.764654\n-2.106461 6.389918 -3.764654\n0.034490 0.047685 7.956235\nCe Fe Si\n2 18 8\ndirect\n0.750000 0.750000 0.500001 Ce\n0.250000 0.250000 0.500000 Ce\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.948202 0.448201 0.644855 Fe\n0.696653 0.196653 0.644855 Fe\n0.196653 0.948202 0.644855 Fe\n0.448202 0.696653 0.644855 Fe\n0.303347 0.803347 0.355146 Fe\n0.803347 0.051798 0.355145 Fe\n0.051798 0.551798 0.355145 Fe\n0.066810 0.802140 0.000001 Fe\n0.551799 0.303347 0.355145 Fe\n0.697860 0.433190 0.000001 Fe\n0.197860 0.066810 0.000000 Fe\n0.802141 0.933190 0.000001 Fe\n0.302140 0.566810 0.000001 Fe\n0.566811 0.697860 0.000001 Fe\n0.933190 0.197860 0.000001 Fe\n0.433190 0.302140 0.000001 Fe\n0.205886 0.705886 0.751752 Si\n0.954134 0.794114 0.248249 Si\n0.294114 0.454133 0.248248 Si\n0.794114 0.294114 0.248248 Si\n0.454134 0.954134 0.248248 Si\n0.045867 0.205885 0.751752 Si\n0.705886 0.545866 0.751753 Si\n0.545867 0.045866 0.751752 Si\n",
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"formula_full": "Ce2 Fe18 Si8",
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}