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{
"id": "jvasp-97817",
"created_at": "2022-09-04T14:36:03.875247Z",
"updated_at": "2022-09-04T14:36:03.875273Z",
"structure_string": "As8 Pb4 O16\n1.0\n6.111728 0.016284 0.000000\n-2.719716 6.537285 0.000000\n0.000000 0.000000 11.812000\nAs Pb O\n8 4 16\ndirect\n0.007294 0.617700 0.355167 As\n0.492705 0.382299 0.855167 As\n0.992705 0.382298 0.644833 As\n0.507294 0.617700 0.144833 As\n0.220195 0.284610 0.419807 As\n0.279804 0.715389 0.919807 As\n0.779804 0.715389 0.580193 As\n0.720195 0.284610 0.080193 As\n0.103064 0.011115 0.148813 Pb\n0.896935 0.988884 0.851187 Pb\n0.603064 0.011114 0.351187 Pb\n0.396935 0.988884 0.648813 Pb\n0.711004 0.803551 0.234430 O\n0.788996 0.196447 0.734430 O\n0.752506 0.553232 0.079565 O\n0.029457 0.195072 0.300960 O\n0.470542 0.804927 0.800960 O\n0.970542 0.804926 0.699041 O\n0.529457 0.195072 0.199041 O\n0.014577 0.801350 0.469218 O\n0.485422 0.198649 0.969218 O\n0.985422 0.198649 0.530782 O\n0.514577 0.801350 0.030782 O\n0.252506 0.553232 0.420435 O\n0.247493 0.446767 0.920435 O\n0.747493 0.446766 0.579565 O\n0.211003 0.803551 0.265570 O\n0.288996 0.196448 0.765570 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"As",
"Pb",
"O"
],
"chemical_system": "As-O-Pb",
"density": 5.919257878945276,
"density_atomic": 0.05926414472860194,
"volume": 472.46104922672913,
"volume_molar": 10.161524793073756,
"formula_full": "As8 Pb4 O16",
"formula_reduced": "As2PbO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1755269028571425,
"spacegroup": 14
},
{
"id": "jvasp-97816",
"created_at": "2022-09-04T14:36:02.181627Z",
"updated_at": "2022-09-04T14:36:02.181652Z",
"structure_string": "K2 Ta15 O32\n1.0\n7.467431 0.004714 10.405173\n3.350740 6.673461 10.405173\n0.007636 0.004714 12.807423\nK Ta O\n2 15 32\ndirect\n0.859993 0.859991 0.859991 K\n0.140008 0.140008 0.140008 K\n0.362862 0.362861 0.362862 Ta\n0.500001 0.499999 0.500000 Ta\n0.972829 0.298057 0.428635 Ta\n0.428636 0.972828 0.298058 Ta\n0.027172 0.701941 0.571364 Ta\n0.701942 0.571364 0.027171 Ta\n0.298059 0.428635 0.972828 Ta\n0.770414 0.184376 0.946858 Ta\n0.184378 0.946858 0.770413 Ta\n0.946859 0.770412 0.184377 Ta\n0.229587 0.815622 0.053141 Ta\n0.815623 0.053141 0.229587 Ta\n0.053142 0.229586 0.815622 Ta\n0.571365 0.027170 0.701942 Ta\n0.637139 0.637137 0.637138 Ta\n0.457437 0.571918 0.156743 O\n0.039367 0.859488 0.301541 O\n0.859489 0.301541 0.039367 O\n0.301542 0.039366 0.859488 O\n0.542564 0.428080 0.843256 O\n0.428082 0.843256 0.542562 O\n0.843257 0.542562 0.428081 O\n0.733750 0.318975 0.543564 O\n0.831727 0.428270 0.739920 O\n0.318976 0.543564 0.733749 O\n0.543565 0.733749 0.318975 O\n0.266251 0.681024 0.456435 O\n0.681025 0.456435 0.266251 O\n0.456436 0.266250 0.681024 O\n0.150654 0.029813 0.444523 O\n0.029813 0.444523 0.150653 O\n0.444524 0.150653 0.029813 O\n0.849347 0.970186 0.555476 O\n0.970188 0.555475 0.849346 O\n0.555477 0.849345 0.970186 O\n0.262799 0.262799 0.262799 O\n0.737202 0.737200 0.737201 O\n0.960634 0.140511 0.698458 O\n0.140512 0.698458 0.960633 O\n0.698459 0.960633 0.140511 O\n0.260080 0.168273 0.571729 O\n0.571730 0.260079 0.168273 O\n0.168274 0.571729 0.260080 O\n0.739921 0.831726 0.428270 O\n0.428271 0.739919 0.831726 O\n0.156744 0.457437 0.571918 O\n0.571919 0.156743 0.457437 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"K",
"Ta",
"O"
],
"chemical_system": "K-O-Ta",
"density": 8.60980073034465,
"density_atomic": 0.0768861381079376,
"volume": 637.3060372886816,
"volume_molar": 7.832544211735202,
"formula_full": "K2 Ta15 O32",
"formula_reduced": "K2Ta15O32",
"formula_anonymous": "A2B15C32",
"energy_above_hull": 4.624994612244898,
"spacegroup": 148
}
]
}