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{
"id": "jvasp-13793",
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{
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"created_at": "2022-09-04T14:38:42.571078Z",
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"structure_string": "Ca4 Al6 O16\n1.0\n7.346197 -0.000000 -2.597273\n-3.673098 6.361993 -2.597273\n-0.000000 -0.000000 7.791818\nCa Al O\n4 6 16\ndirect\n0.338868 0.338868 0.338868 Ca\n0.661132 0.000000 0.000000 Ca\n-0.000000 0.661132 0.000000 Ca\n0.000000 0.000000 0.661132 Ca\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.750000 0.250000 0.500001 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.562754 0.286960 0.562755 O\n0.171811 0.000000 0.000000 O\n0.828189 0.828189 0.828190 O\n0.275794 0.713040 0.275795 O\n0.437246 0.000000 0.724206 O\n0.724206 0.000000 0.437246 O\n0.724206 0.437246 0.000000 O\n-0.000000 0.437246 0.724206 O\n0.275794 0.275794 0.713040 O\n-0.000000 0.724205 0.437246 O\n0.562754 0.562754 0.286960 O\n-0.000000 0.171810 0.000000 O\n0.713040 0.275794 0.275795 O\n0.286960 0.562754 0.562755 O\n0.437246 0.724205 0.000000 O\n0.000000 0.000000 0.171811 O\n",
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{
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"updated_at": "2022-09-04T14:38:36.837912Z",
"structure_string": "Rb4 V6 O16\n1.0\n8.951453 0.000000 0.000000\n0.000000 8.951453 0.000000\n0.000000 0.000000 5.553489\nRb V O\n4 6 16\ndirect\n0.168654 0.668654 0.003141 Rb\n0.668654 0.831346 0.003141 Rb\n0.331346 0.168654 0.003141 Rb\n0.831346 0.331346 0.003141 Rb\n0.000000 0.000000 0.537012 V\n0.634151 0.134152 0.525797 V\n0.500000 0.500000 0.537012 V\n0.865848 0.634151 0.525797 V\n0.365848 0.865848 0.525797 V\n0.134152 0.365848 0.525797 V\n0.309082 0.415802 0.636717 O\n0.369614 0.869614 0.227189 O\n0.630385 0.130386 0.227189 O\n0.000000 0.500000 0.642587 O\n0.500000 0.000000 0.642587 O\n0.584198 0.309082 0.636717 O\n0.690917 0.584198 0.636717 O\n0.809082 0.084198 0.636717 O\n0.084198 0.190918 0.636717 O\n0.915801 0.809082 0.636717 O\n0.190918 0.915801 0.636717 O\n0.869614 0.630385 0.227189 O\n0.000000 0.000000 0.243584 O\n0.500000 0.500000 0.243584 O\n0.415802 0.690917 0.636717 O\n0.130386 0.369614 0.227189 O\n",
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{
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"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
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{
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"structure_string": "Mg2 Sn3 O8\n1.0\n5.294272 0.296739 -1.102744\n-0.906675 5.388699 -2.902893\n0.327890 -0.323726 5.891264\nMg Sn O\n2 3 8\ndirect\n0.576609 0.704629 0.409258 Mg\n0.423392 0.295372 0.590744 Mg\n0.500000 0.999999 0.000001 Sn\n0.000001 0.742200 0.999998 Sn\n0.000000 0.257798 0.999998 Sn\n0.134968 0.394014 0.788030 O\n0.865031 0.605985 0.211971 O\n0.136004 0.893812 0.787623 O\n0.863996 0.106188 0.212376 O\n0.362566 0.352706 0.250430 O\n0.362567 0.897724 0.250430 O\n0.637433 0.102275 0.749570 O\n0.637433 0.647294 0.749571 O\n",
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{
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"created_at": "2022-09-04T14:37:29.197319Z",
"updated_at": "2022-09-04T14:37:29.197348Z",
"structure_string": "Ba2 Sb3 O8\n1.0\n4.137922 0.000000 0.000000\n-0.000000 4.137922 -0.000000\n0.000000 0.000000 11.556200\nBa Sb O\n2 3 8\ndirect\n0.500000 0.500000 0.187889 Ba\n0.500000 0.500000 0.812111 Ba\n0.000000 0.000000 0.371306 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.628694 Sb\n0.000000 0.500000 0.346246 O\n0.500000 0.000000 0.346246 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.177315 O\n0.000000 0.500000 0.653754 O\n0.500000 0.000000 0.653754 O\n0.000000 0.000000 0.822685 O\n0.000000 0.500000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.898540Z",
"structure_string": "Co4 Mo6 O16\n1.0\n2.898536 -5.020413 -0.000000\n2.898536 5.020413 0.000000\n-0.000000 0.000000 9.794439\nCo Mo O\n4 6 16\ndirect\n0.666668 0.333334 0.053471 Co\n0.333334 0.666668 0.553471 Co\n0.666668 0.333334 0.484138 Co\n0.333334 0.666668 0.984138 Co\n0.707887 0.853944 0.251234 Mo\n0.853944 0.707887 0.751234 Mo\n0.853944 0.146058 0.751234 Mo\n0.146058 0.853944 0.251234 Mo\n0.292114 0.146057 0.751234 Mo\n0.146057 0.292114 0.251234 Mo\n0.510884 0.021767 0.632441 O\n0.489117 0.510884 0.132441 O\n0.666668 0.333334 0.856611 O\n0.000000 0.000000 0.107176 O\n0.000000 0.000000 0.607176 O\n0.489118 0.978234 0.132441 O\n0.510884 0.489117 0.632441 O\n0.830516 0.661033 0.369527 O\n0.338968 0.169485 0.369527 O\n0.169485 0.830516 0.869527 O\n0.169485 0.338968 0.869527 O\n0.978234 0.489118 0.632441 O\n0.830516 0.169485 0.369527 O\n0.661033 0.830516 0.869527 O\n0.021767 0.510884 0.132441 O\n0.333334 0.666668 0.356611 O\n",
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"formula_reduced": "Co2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 4.007048269230769,
"spacegroup": 186
}
]
}