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{
"id": "jvasp-112301",
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"structure_string": "Sc4 Co6 Si10\n1.0\n7.258258 -0.012922 2.463133\n-1.401021 7.121770 2.463133\n-0.001890 -0.002294 5.357196\nSc Co Si\n4 6 10\ndirect\n0.872207 0.591109 0.765274 Sc\n0.408892 0.127794 0.734725 Sc\n0.127793 0.408892 0.234725 Sc\n0.591109 0.872207 0.265274 Sc\n0.002405 0.997595 0.750000 Co\n0.543903 0.262947 0.126991 Co\n0.997595 0.002406 0.249999 Co\n0.456098 0.737054 0.873007 Co\n0.262947 0.543903 0.626992 Co\n0.737054 0.456098 0.373007 Co\n0.773574 0.226427 0.749999 Si\n0.075279 0.265762 0.828755 Si\n0.734239 0.924721 0.671244 Si\n0.924721 0.734239 0.171244 Si\n0.265761 0.075279 0.328754 Si\n0.209349 0.790651 0.750000 Si\n0.790651 0.209349 0.249999 Si\n0.513768 0.486233 0.750000 Si\n0.486233 0.513768 0.249999 Si\n0.226426 0.773574 0.249999 Si\n",
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{
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"structure_string": "Sc4 Co4 Si4\n1.0\n3.988722 0.000000 0.000000\n0.000000 6.440118 0.000000\n0.000000 0.000000 6.808692\nSc Co Si\n4 4 4\ndirect\n0.250000 0.992271 0.305893 Sc\n0.250000 0.492271 0.194106 Sc\n0.750000 0.007730 0.694106 Sc\n0.750000 0.507730 0.805893 Sc\n0.250000 0.152996 0.936882 Co\n0.250000 0.652997 0.563118 Co\n0.750000 0.847004 0.063118 Co\n0.750000 0.347004 0.436882 Co\n0.250000 0.293742 0.608221 Si\n0.250000 0.793743 0.891778 Si\n0.750000 0.706258 0.391779 Si\n0.750000 0.206258 0.108221 Si\n",
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{
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"structure_string": "Sc4 Co4 O12\n1.0\n4.917459 -0.000000 0.000000\n0.000000 5.330895 0.000000\n0.000000 0.000000 7.176957\nSc Co O\n4 4 12\ndirect\n0.031084 0.915733 0.750000 Sc\n0.468916 0.415734 0.750000 Sc\n0.531085 0.584265 0.250000 Sc\n0.968916 0.084266 0.250000 Sc\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.817940 0.808297 0.065073 O\n0.682060 0.308297 0.065073 O\n0.682060 0.308297 0.434927 O\n0.633236 0.049833 0.750000 O\n0.366764 0.950166 0.250000 O\n0.182060 0.191702 0.565074 O\n0.317940 0.691702 0.934927 O\n0.182060 0.191702 0.934927 O\n0.817940 0.808297 0.434927 O\n0.133236 0.450166 0.250000 O\n0.317940 0.691702 0.565074 O\n0.866764 0.549833 0.750000 O\n",
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{
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"structure_string": "Sc4 Co2 Si4\n1.0\n3.857707 -0.000000 0.920700\n1.872888 4.928972 0.694844\n0.004196 -0.010917 8.524608\nSc Co Si\n4 2 4\ndirect\n0.683701 0.737396 0.895206 Sc\n0.499628 0.672473 0.328271 Sc\n0.316302 0.262603 0.104793 Sc\n0.500374 0.327526 0.671728 Sc\n0.225794 0.922633 0.625781 Co\n0.774209 0.077366 0.374219 Co\n0.013090 0.848807 0.125014 Si\n0.854357 0.721565 0.569724 Si\n0.986913 0.151192 0.874986 Si\n0.145645 0.278434 0.430275 Si\n",
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{
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"structure_string": "Sc4 Co2 Ge4\n1.0\n4.832193 -0.003537 2.367335\n3.166885 3.649787 2.367335\n-0.045816 -0.020885 9.606326\nSc Co Ge\n4 2 4\ndirect\n0.994530 0.994531 0.332724 Sc\n0.005469 0.005471 0.667278 Sc\n0.819579 0.819579 0.107685 Sc\n0.180420 0.180422 0.892316 Sc\n0.720134 0.720136 0.635684 Co\n0.279864 0.279865 0.364318 Co\n0.648492 0.648493 0.426538 Ge\n0.351506 0.351508 0.573463 Ge\n0.523355 0.523355 0.124376 Ge\n0.476644 0.476646 0.875625 Ge\n",
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{
"id": "jvasp-18669",
"created_at": "2022-09-04T14:36:36.081371Z",
"updated_at": "2022-09-04T14:36:36.081397Z",
"structure_string": "Sc4 Co2\n1.0\n5.017062 0.048891 -1.487801\n-2.784321 4.173830 -1.487801\n-0.025850 -0.048891 5.232953\nSc Co\n4 2\ndirect\n0.321406 0.821406 0.142812 Sc\n0.821405 0.678594 0.500000 Sc\n0.678594 0.178594 0.857187 Sc\n0.178594 0.321406 0.500000 Sc\n0.750000 0.750000 0.000000 Co\n0.250000 0.250000 0.000000 Co\n",
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{
"id": "jvasp-117113",
"created_at": "2022-09-04T14:38:46.245472Z",
"updated_at": "2022-09-04T14:38:46.245497Z",
"structure_string": "Sc4 Cd2 Se8\n1.0\n6.929947 -0.000000 4.001007\n2.309982 6.533616 4.001007\n-0.000000 -0.000000 8.002013\nSc Cd Se\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.844383 0.385206 0.385206 Se\n0.385206 0.844383 0.385206 Se\n0.385206 0.385206 0.844382 Se\n0.385206 0.385206 0.385206 Se\n0.405617 0.864794 0.864794 Se\n0.864794 0.405618 0.864794 Se\n0.864794 0.864794 0.405618 Se\n0.864794 0.864794 0.864794 Se\n",
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"formula_full": "Sc4 Cd2 Se8",
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"spacegroup": 227
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{
"id": "jvasp-10716",
"created_at": "2022-09-04T14:37:27.753406Z",
"updated_at": "2022-09-04T14:37:27.753427Z",
"structure_string": "Sc4 Cd2 S8\n1.0\n6.603794 -0.000000 3.812703\n2.201265 6.226117 3.812703\n-0.000000 0.000000 7.625405\nSc Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.499999 0.500000 -0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.739427 0.739428 0.739428 S\n0.260572 0.260572 0.718284 S\n0.260571 0.718284 0.260572 S\n0.718282 0.260572 0.260572 S\n0.739427 0.281717 0.739428 S\n0.281716 0.739428 0.739428 S\n0.260572 0.260572 0.260572 S\n0.739427 0.739428 0.281717 S\n",
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{
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"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
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{
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}