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{
"id": "jvasp-10643",
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"updated_at": "2022-09-04T14:37:28.440669Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n6.306736 -0.221863 -0.156881\n2.961229 5.128999 -0.000000\n2.961229 1.709667 4.835666\nCa Fe O\n2 4 8\ndirect\n0.986208 0.004598 0.004597 Ca\n0.118731 0.627090 0.627090 Ca\n0.280907 0.239698 0.239698 Fe\n0.616045 0.126996 0.628480 Fe\n0.616046 0.628480 0.126996 Fe\n0.616045 0.628480 0.628480 Fe\n0.423570 0.362596 0.362596 O\n0.423570 0.362596 0.851238 O\n0.423570 0.851238 0.362596 O\n0.943787 0.352071 0.352071 O\n0.395454 0.868182 0.868183 O\n0.802023 0.439410 0.879285 O\n0.802023 0.879285 0.439410 O\n0.802023 0.879285 0.879285 O\n",
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"structure_string": "Ca2 Mo4 O8\n1.0\n3.317197 -0.000000 -0.000000\n-1.658598 4.740192 0.000000\n-0.000000 0.000000 10.199501\nCa Mo O\n2 4 8\ndirect\n0.376122 0.752243 0.750000 Ca\n0.623878 0.247756 0.250000 Ca\n0.886277 0.772553 0.058989 Mo\n0.113723 0.227446 0.941011 Mo\n0.886277 0.772553 0.441011 Mo\n0.113723 0.227446 0.558989 Mo\n0.245197 0.490397 0.390981 O\n0.754803 0.509603 0.609019 O\n0.754803 0.509603 0.890981 O\n0.245197 0.490397 0.109019 O\n0.950715 0.901430 0.250000 O\n0.049285 0.098569 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
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{
"id": "jvasp-11433",
"created_at": "2022-09-04T14:37:19.062658Z",
"updated_at": "2022-09-04T14:37:19.062684Z",
"structure_string": "Dy4 Cd2 S8\n1.0\n6.890604 0.000000 3.978292\n2.296868 6.496525 3.978292\n-0.000000 -0.000000 7.956585\nDy Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 -0.000000 0.500000 Dy\n0.875000 0.874999 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.742838 0.742838 0.742838 S\n0.257162 0.257162 0.728514 S\n0.257162 0.728514 0.257161 S\n0.728514 0.257162 0.257162 S\n0.742838 0.271485 0.742838 S\n0.271486 0.742838 0.742838 S\n0.257162 0.257162 0.257162 S\n0.742838 0.742838 0.271485 S\n",
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{
"id": "jvasp-10183",
"created_at": "2022-09-04T14:37:16.371101Z",
"updated_at": "2022-09-04T14:37:16.371125Z",
"structure_string": "Ba2 Ga4 Se8\n1.0\n6.501387 -0.116590 0.000000\n-3.311040 5.596305 0.000000\n0.000000 0.000000 11.421080\nBa Ga Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.242560 0.759138 0.500000 Ga\n0.757441 0.240862 0.500000 Ga\n0.240863 0.757441 0.000000 Ga\n0.759138 0.242560 0.000000 Ga\n0.500000 0.000000 0.336136 Se\n0.000000 0.500000 0.163864 Se\n0.653132 0.825016 0.000000 Se\n0.346868 0.174985 0.000000 Se\n0.825016 0.653132 0.500000 Se\n0.174985 0.346868 0.500000 Se\n0.500000 0.000000 0.663865 Se\n0.000000 0.500000 0.836136 Se\n",
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"density_atomic": 0.03405226332043746,
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{
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"created_at": "2022-09-04T14:37:28.417454Z",
"updated_at": "2022-09-04T14:37:28.417482Z",
"structure_string": "Ca2 Cr4 S8\n1.0\n7.235300 0.006755 0.002746\n-3.611563 -6.289318 0.003932\n-3.617131 1.933112 -5.981513\nCa Cr S\n2 4 8\ndirect\n-0.000006 -0.000009 0.000011 Ca\n0.500009 0.500005 0.499996 Ca\n0.000008 0.000006 0.500012 Cr\n0.500010 0.000006 0.000005 Cr\n0.499997 0.999995 0.499999 Cr\n0.000001 0.499998 0.500012 Cr\n0.026775 0.762189 0.291363 S\n0.029580 0.759412 0.740608 S\n0.473215 0.208644 0.737802 S\n0.529565 0.240583 0.259409 S\n0.526799 0.791366 0.262200 S\n0.970440 0.240601 0.259418 S\n0.470431 0.759408 0.740590 S\n0.973217 0.237801 0.708655 S\n",
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{
"id": "jvasp-12320",
"created_at": "2022-09-04T14:38:11.699157Z",
"updated_at": "2022-09-04T14:38:11.699175Z",
"structure_string": "Pb2 C4 S4 N4\n1.0\n5.900983 0.035330 0.170745\n2.217556 5.468574 0.170745\n-0.040796 -0.027657 8.137770\nPb C S N\n2 4 4 4\ndirect\n0.903147 0.096852 0.249999 Pb\n0.096853 0.903146 0.749999 Pb\n0.752885 0.487702 0.601822 C\n0.247115 0.512296 0.398176 C\n0.487703 0.752885 0.101822 C\n0.512296 0.247114 0.898176 C\n0.645908 0.767685 0.665705 S\n0.767686 0.645907 0.165705 S\n0.232314 0.354091 0.834293 S\n0.354092 0.232314 0.334293 S\n0.281780 0.834825 0.056186 N\n0.718220 0.165174 0.943813 N\n0.834825 0.281779 0.556186 N\n0.165175 0.718220 0.443813 N\n",
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{
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"created_at": "2022-09-04T14:37:28.403260Z",
"updated_at": "2022-09-04T14:37:28.403281Z",
"structure_string": "Ba2 Y1 Sn3 O8\n1.0\n4.292339 -0.000000 0.000000\n-0.000000 4.292339 0.000000\n-0.000000 -0.000000 11.641479\nBa Y Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.170483 Ba\n0.500000 0.500000 0.829517 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.366308 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.633692 Sn\n0.000000 0.500000 0.374465 O\n0.500000 0.000000 0.374465 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.186347 O\n0.000000 0.500000 0.625535 O\n0.500000 0.000000 0.625535 O\n0.000000 0.000000 0.813654 O\n0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:15.793172Z",
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"structure_string": "Al2 Fe4 S8\n1.0\n6.837279 -0.024346 -0.046675\n-0.253183 6.832703 0.044616\n-3.294719 -3.400048 4.933359\nAl Fe S\n2 4 8\ndirect\n0.007490 0.027654 0.020147 Al\n0.007505 0.487385 0.479892 Al\n0.979156 -0.009755 0.488875 Fe\n0.510513 -0.041457 0.448011 Fe\n0.501389 -0.009720 0.011116 Fe\n0.510504 0.562449 0.051942 Fe\n0.752815 0.775335 0.022528 S\n0.769886 0.748910 0.520981 S\n0.752796 0.230268 0.477459 S\n0.738053 0.237862 0.000276 S\n0.252205 0.786856 0.534673 S\n0.237572 0.237802 0.499762 S\n0.227938 0.748937 -0.020992 S\n0.252152 0.217479 -0.034706 S\n",
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"structure_string": "Ba1 Ca1 V4 O8\n1.0\n2.740067 -4.745935 0.000000\n2.740067 4.745935 0.000000\n0.000000 0.000000 7.680132\nBa Ca V O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666668 0.758400 V\n0.666668 0.333333 0.758400 V\n0.333333 0.666668 0.241600 V\n0.666668 0.333333 0.241600 V\n0.667616 0.000000 0.693836 O\n0.000000 0.667616 0.693836 O\n0.332385 0.332385 0.693836 O\n0.332385 0.000000 0.306164 O\n0.667616 0.667616 0.306164 O\n0.000000 0.332385 0.306164 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
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"updated_at": "2022-09-04T14:37:27.838376Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187192 -0.015007 -0.076103\n3.080600 5.365768 -0.076103\n3.027126 1.747712 4.943276\nCa V O\n2 4 8\ndirect\n0.125000 0.625000 0.625001 Ca\n0.625000 0.124999 0.625001 Ca\n0.994449 0.994449 0.005551 V\n0.255550 0.255550 0.244450 V\n0.625000 0.624999 0.125001 V\n0.625000 0.624999 0.625001 V\n0.390819 0.390818 0.338079 O\n0.395597 0.877129 0.363637 O\n0.390819 0.390818 0.880285 O\n0.877129 0.395596 0.363637 O\n0.372870 0.854402 0.886366 O\n0.854403 0.372868 0.886366 O\n0.859181 0.859180 0.369717 O\n0.859181 0.859180 0.911924 O\n",
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{
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"created_at": "2022-09-04T14:37:34.552788Z",
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"structure_string": "Ti6 In8\n1.0\n9.956382 0.000000 0.000000\n0.000000 9.956382 0.000000\n0.000000 -0.000000 2.983371\nTi In\n6 8\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.674864 0.174864 0.500000 Ti\n0.174864 0.325136 0.500000 Ti\n0.825136 0.674864 0.500000 Ti\n0.325136 0.825136 0.500000 Ti\n0.211726 0.060546 0.000000 In\n0.060546 0.788274 0.000000 In\n0.939453 0.211726 0.000000 In\n0.788274 0.939453 0.000000 In\n0.288274 0.560546 0.000000 In\n0.711726 0.439453 0.000000 In\n0.560546 0.711726 0.000000 In\n0.439453 0.288274 0.000000 In\n",
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}