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{
"id": "jvasp-23848",
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"structure_string": "Sr1 Sb12 Ru4\n1.0\n7.702103 -0.000000 -2.723105\n-3.851052 6.670218 -2.723105\n-0.000000 -0.000000 8.169315\nSr Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.658515 0.841455 0.499968 Sb\n0.158546 0.500031 0.341485 Sb\n0.500031 0.341485 0.158545 Sb\n0.817059 0.658515 0.158545 Sb\n0.841454 0.182941 0.341484 Sb\n0.499969 0.658515 0.841453 Sb\n0.341486 0.841455 0.182940 Sb\n0.158546 0.817060 0.658514 Sb\n0.841454 0.499969 0.658514 Sb\n0.341485 0.158546 0.500030 Sb\n0.182941 0.341485 0.841454 Sb\n0.658514 0.158546 0.817058 Sb\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.500000 0.499999 Ru\n",
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{
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"structure_string": "Nd1 Fe4 P12\n1.0\n6.417704 0.000000 -2.269002\n-3.208852 5.557895 -2.269002\n-0.000000 -0.000000 6.807004\nNd Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 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\n0.647832 0.496604 0.848772 P\n0.848772 0.352169 0.200941 P\n0.647832 0.799060 0.151228 P\n0.496604 0.848773 0.647832 P\n0.151228 0.647832 0.799059 P\n0.503396 0.151228 0.352168 P\n0.352169 0.503397 0.151228 P\n0.151228 0.352169 0.503396 P\n0.799059 0.151228 0.647831 P\n0.200941 0.848773 0.352169 P\n0.352168 0.200941 0.848772 P\n0.848772 0.647832 0.496604 P\n",
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{
"id": "jvasp-23733",
"created_at": "2022-09-04T14:37:39.852477Z",
"updated_at": "2022-09-04T14:37:39.852514Z",
"structure_string": "Yb4 As6 Rh7\n1.0\n6.795927 -0.000000 -2.402722\n-3.397963 5.885445 -2.402722\n-0.000000 -0.000000 7.208168\nYb As Rh\n4 6 7\ndirect\n0.500001 0.500000 0.500001 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.318575 0.318575 As\n0.000001 0.681426 0.681426 As\n0.681425 0.000000 0.681426 As\n0.681426 0.681426 0.000001 As\n0.318575 0.318575 0.000000 As\n0.318575 0.000000 0.318575 As\n0.750001 0.500000 0.250001 Rh\n0.750001 0.250000 0.500001 Rh\n0.500000 0.250000 0.750001 Rh\n0.000000 0.000000 0.000000 Rh\n0.250001 0.500000 0.750001 Rh\n0.500001 0.750001 0.250001 Rh\n0.250001 0.750001 0.500001 Rh\n",
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{
"id": "jvasp-23337",
"created_at": "2022-09-04T14:37:54.135219Z",
"updated_at": "2022-09-04T14:37:54.135245Z",
"structure_string": "Na1 Fe4 Sb12\n1.0\n7.522643 0.000000 -2.659656\n-3.761321 6.514800 -2.659656\n0.000000 0.000000 7.978968\nNa Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 -0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.171671 0.333018 0.838653 Sb\n0.333017 0.161347 0.494364 Sb\n0.161347 0.494364 0.333017 Sb\n0.838653 0.505636 0.666982 Sb\n0.666982 0.161347 0.828329 Sb\n0.666982 0.838654 0.505635 Sb\n0.828329 0.666983 0.161346 Sb\n0.161347 0.828329 0.666982 Sb\n0.333018 0.838654 0.171670 Sb\n0.494364 0.333018 0.161346 Sb\n0.838653 0.171671 0.333017 Sb\n0.505636 0.666983 0.838653 Sb\n",
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{
"id": "jvasp-23429",
"created_at": "2022-09-04T14:37:38.692202Z",
"updated_at": "2022-09-04T14:37:38.692231Z",
"structure_string": "U4 Tc7 Si6\n1.0\n6.723580 0.000000 -2.377145\n-3.361790 5.822790 -2.377145\n-0.000000 -0.000000 7.131434\nU Tc Si\n4 7 6\ndirect\n0.500000 0.500000 0.500000 U\n-0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 -0.000000 0.000000 U\n0.500000 0.750000 0.250001 Tc\n0.250000 0.500000 0.750000 Tc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.250000 0.750000 Tc\n-0.000000 0.690300 0.690300 Tc\n0.750000 0.500000 0.250001 Tc\n-0.000000 0.309700 0.309700 Tc\n0.309700 0.000000 0.309700 Si\n0.690300 0.000000 0.690300 Si\n0.690300 0.690300 0.000001 Si\n0.309700 0.309700 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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"volume": 279.1956010798187,
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{
"id": "jvasp-23776",
"created_at": "2022-09-04T14:37:38.531223Z",
"updated_at": "2022-09-04T14:37:38.531241Z",
"structure_string": "Mg4 As6 Rh7\n1.0\n6.660879 -0.000000 -2.354976\n-3.330440 5.768490 -2.354976\n0.000000 0.000000 7.064929\nMg As Rh\n4 6 7\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n-0.000000 0.313247 0.313247 As\n0.313248 0.000000 0.313247 As\n-0.000000 0.686752 0.686752 As\n0.686753 0.686752 -0.000001 As\n0.313248 0.313247 -0.000000 As\n0.686753 0.000000 0.686752 As\n0.500000 0.750000 0.249999 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.250000 0.750000 Rh\n0.750000 0.250000 0.500000 Rh\n0.250000 0.500000 0.750000 Rh\n0.750000 0.500000 0.249999 Rh\n0.250000 0.750000 0.500000 Rh\n",
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{
"id": "jvasp-29289",
"created_at": "2022-09-04T14:38:01.092390Z",
"updated_at": "2022-09-04T14:38:01.092405Z",
"structure_string": "Zn1 C2 S2 O6 F6\n1.0\n10.744589 0.011857 0.007101\n9.613978 4.797683 0.007101\n9.613978 2.271221 4.226035\nZn C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.778316 0.778315 0.778314 C\n0.221685 0.221685 0.221685 C\n0.281547 0.281547 0.281547 S\n0.718454 0.718453 0.718452 S\n0.266373 0.019205 0.593042 O\n0.593043 0.266373 0.019204 O\n0.406958 0.733628 0.980794 O\n0.733629 0.980796 0.406956 O\n0.980796 0.406957 0.733627 O\n0.019205 0.593043 0.266372 O\n0.059980 0.773748 0.544354 F\n0.544356 0.059980 0.773747 F\n0.773749 0.544355 0.059979 F\n0.226253 0.455645 0.940020 F\n0.455646 0.940021 0.226251 F\n0.940021 0.226252 0.455644 F\n",
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{
"id": "jvasp-35228",
"created_at": "2022-09-04T14:37:39.944647Z",
"updated_at": "2022-09-04T14:37:39.944662Z",
"structure_string": "Ce1 As12 Ru4\n1.0\n-4.305179 -4.305179 4.305179\n-4.305179 4.305179 -4.305179\n4.305179 -4.305179 -4.305179\nCe As Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.196493 0.850370 0.346124 As\n0.803507 0.149631 0.653877 As\n0.495754 0.149631 0.346124 As\n0.504246 0.850370 0.653877 As\n0.653877 0.803507 0.149631 As\n0.346124 0.196493 0.850370 As\n0.653877 0.504246 0.850370 As\n0.850370 0.346124 0.196493 As\n0.149631 0.653877 0.803507 As\n0.149631 0.346124 0.495754 As\n0.850370 0.653877 0.504246 As\n0.346124 0.495754 0.149631 As\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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{
"id": "jvasp-51639",
"created_at": "2022-09-04T14:37:53.947111Z",
"updated_at": "2022-09-04T14:37:53.947131Z",
"structure_string": "U4 Ga12 Pd1\n1.0\n7.038971 0.000078 -2.488683\n-3.519561 6.096015 -2.489088\n0.000125 -0.000278 7.466404\nU Ga Pd\n4 12 1\ndirect\n0.000000 0.999999 0.499999 U\n-0.000000 0.499999 -0.000001 U\n0.500000 0.500000 0.500000 U\n0.500000 0.999999 -0.000001 U\n0.294349 0.294346 0.999994 Ga\n0.294362 0.999997 0.294362 Ga\n0.750000 0.499997 0.249998 Ga\n0.705650 0.705652 0.000004 Ga\n0.500002 0.250001 0.750003 Ga\n0.499999 0.749998 0.249997 Ga\n0.000004 0.705652 0.705650 Ga\n0.250000 0.500001 0.750000 Ga\n0.999996 0.294347 0.294350 Ga\n0.705638 0.000002 0.705638 Ga\n0.750002 0.250002 0.500000 Ga\n0.249999 0.749998 0.500000 Ga\n-0.000000 -0.000000 -0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:49.014812Z",
"updated_at": "2022-09-04T14:36:49.014829Z",
"structure_string": "Cr4 Cu1 O12\n1.0\n6.665514 -0.044709 -0.064578\n-0.754266 6.622850 0.064578\n-1.448558 1.301703 5.406761\nCr Cu O\n4 1 12\ndirect\n0.199539 0.608319 0.761348 Cr\n0.390886 0.796031 0.271335 Cr\n0.608319 0.199539 0.738652 Cr\n0.796030 0.390887 0.228665 Cr\n0.918859 0.918860 0.250000 Cu\n0.778678 0.024439 0.879846 O\n0.654328 0.353711 0.454350 O\n0.625853 0.907450 0.312213 O\n0.629799 0.358120 0.947687 O\n0.353710 0.654329 0.045650 O\n0.358120 0.629800 0.552312 O\n0.907450 0.625854 0.187787 O\n0.216212 0.966306 0.192713 O\n0.090061 0.379488 0.806016 O\n0.024439 0.778678 0.620154 O\n0.379488 0.090061 0.693983 O\n0.966305 0.216213 0.307287 O\n",
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{
"id": "jvasp-48610",
"created_at": "2022-09-04T14:37:05.593311Z",
"updated_at": "2022-09-04T14:37:05.593333Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
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{
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"created_at": "2022-09-04T14:37:03.113759Z",
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"structure_string": "H8 C8 O1\n1.0\n3.892773 0.018714 -0.270524\n-1.829326 5.100359 -2.213079\n0.001850 -0.095382 7.197318\nH C O\n8 8 1\ndirect\n0.259994 0.165315 0.216383 H\n0.357020 0.769983 0.963491 H\n0.616898 0.212061 0.811512 H\n0.878956 0.606500 0.872767 H\n0.831008 0.025565 0.891011 H\n0.729615 0.636048 0.587081 H\n0.839662 0.415094 0.237613 H\n0.150961 0.385832 0.565231 H\n0.140565 0.047405 0.296575 C\n0.931324 0.026684 0.601530 C\n0.053245 0.773328 0.201770 C\n0.114226 0.640111 0.986299 C\n0.903728 0.627639 0.308217 C\n0.866349 0.160328 0.815903 C\n0.078684 0.172230 0.493666 C\n0.844846 0.753342 0.505914 C\n0.170824 0.394297 0.944476 O\n",
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}
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}