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"id": "jvasp-109539",
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{
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{
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{
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"created_at": "2022-09-04T14:37:16.895242Z",
"updated_at": "2022-09-04T14:37:16.895262Z",
"structure_string": "Ba2 Zn2 Si2\n1.0\n2.196672 -3.804747 -0.000000\n2.196672 3.804747 0.000000\n-0.000000 -0.000000 9.801619\nBa Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666667 0.250000 Zn\n0.666667 0.333332 0.750000 Zn\n0.666667 0.333332 0.250000 Si\n0.333332 0.666667 0.750000 Si\n",
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{
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"created_at": "2022-09-04T14:36:15.203853Z",
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"structure_string": "Ba1 Li2 Ca1\n1.0\n5.956701 -0.000000 0.000000\n0.000000 5.956701 0.000000\n-0.000000 0.000000 3.942091\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Ca\n",
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{
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"created_at": "2022-09-04T14:36:07.980505Z",
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"structure_string": "Y1 Be1 Cd2\n1.0\n-2.429099 2.429099 3.435217\n2.429099 -2.429099 3.435217\n2.429099 2.429099 -3.435217\nY Be Cd\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n",
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{
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"structure_string": "K6 Li3 Al3 F18\n1.0\n4.301489 2.483466 10.095940\n-4.301489 2.483466 10.095940\n-0.000000 -4.966933 10.095940\nK Li Al F\n6 3 3 18\ndirect\n0.908239 0.908239 0.908238 K\n0.091761 0.091761 0.091761 K\n0.574906 0.574906 0.574905 K\n0.758429 0.758429 0.758427 K\n0.241572 0.241572 0.241571 K\n0.425095 0.425095 0.425094 K\n0.500000 0.500000 0.499999 Li\n0.166667 0.166667 0.166667 Li\n0.833334 0.833334 0.833332 Li\n0.333333 0.333333 0.333333 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.666667 0.666666 Al\n0.084751 0.584798 0.584797 F\n0.751417 0.251463 0.251463 F\n0.415203 0.915250 0.415202 F\n0.415203 0.415203 0.915249 F\n0.915250 0.415203 0.415202 F\n0.584798 0.084751 0.584797 F\n0.584798 0.584798 0.084750 F\n0.748537 0.248584 0.748536 F\n0.081870 0.581917 0.081869 F\n0.248584 0.748537 0.748536 F\n0.918131 0.418084 0.918129 F\n0.918131 0.918131 0.418082 F\n0.418084 0.918131 0.918129 F\n0.251463 0.251463 0.751416 F\n0.081870 0.081870 0.581916 F\n0.581917 0.081870 0.081869 F\n0.748537 0.748537 0.248583 F\n0.251463 0.751417 0.251463 F\n",
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{
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"created_at": "2022-09-04T14:36:39.102626Z",
"updated_at": "2022-09-04T14:36:39.102641Z",
"structure_string": "Er1 Tm1 Mg2\n1.0\n4.563391 0.000000 2.634675\n1.521130 4.302406 2.634675\n0.000000 0.000000 5.269351\nEr Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.750001 Mg\n",
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{
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"structure_string": "Mg1 Cl1\n1.0\n4.508177 0.000000 -0.000000\n-2.254089 3.904196 0.000000\n0.000000 0.000000 3.472529\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Cl\n",
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{
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"structure_string": "Li2 Fe2 F8\n1.0\n2.846924 4.302404 -0.000000\n-2.846924 4.302404 -0.000000\n0.000000 -0.000000 6.047935\nLi Fe F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.646340 0.646340 0.749999 Fe\n0.353660 0.353660 0.250000 Fe\n0.256425 0.766758 0.749999 F\n0.233241 0.743574 0.250000 F\n0.770615 0.770615 0.506778 F\n0.229384 0.229384 0.006778 F\n0.229384 0.229384 0.493221 F\n0.770615 0.770615 0.993221 F\n0.743574 0.233241 0.250000 F\n0.766758 0.256425 0.749999 F\n",
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{
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"structure_string": "Li1 Cu1 O1 F1\n1.0\n2.784974 0.000000 0.000000\n0.000000 2.784974 0.000000\n-0.000000 0.000000 4.927619\nLi Cu O F\n1 1 1 1\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.499999 0.499999 -0.000000 O\n0.000000 0.000000 0.500000 F\n",
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{
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"structure_string": "Zr2 In4 Br12\n1.0\n7.252583 -0.000200 0.000044\n-0.000210 7.253122 -0.000115\n0.000076 0.000032 10.991357\nZr In Br\n2 4 12\ndirect\n0.500162 0.499925 0.499998 Zr\n0.000077 0.000243 -0.000006 Zr\n0.499568 0.999098 0.249918 In\n0.499248 0.999258 0.749912 In\n0.999522 0.500161 0.750098 In\n0.000005 0.500142 0.250115 In\n0.694493 0.806134 0.500076 Br\n0.500146 0.499779 0.741425 Br\n0.805767 0.306342 0.000108 Br\n0.194471 0.694117 -0.000079 Br\n0.306266 0.194484 0.000056 Br\n-0.000004 0.000410 0.758554 Br\n0.806359 0.305759 0.499953 Br\n-0.000040 -0.000036 0.241432 Br\n0.693975 0.805774 -0.000107 Br\n0.305798 0.193850 0.499878 Br\n0.500114 0.500171 0.258573 Br\n0.194075 0.694384 0.500096 Br\n",
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