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{
"id": "jvasp-107109",
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{
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{
"id": "jvasp-110340",
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"updated_at": "2022-09-04T14:38:39.595787Z",
"structure_string": "K2 Li1 Co1 F6\n1.0\n4.820749 0.000000 2.783261\n1.606916 4.545045 2.783261\n0.000000 0.000000 5.566521\nK Li Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.749999 K\n0.500000 0.500001 0.499999 Li\n0.000000 0.000000 0.000000 Co\n0.762055 0.237945 0.237945 F\n0.237945 0.762056 0.762054 F\n0.237945 0.762056 0.237944 F\n0.762055 0.237945 0.762054 F\n0.237945 0.237945 0.762055 F\n0.762056 0.762056 0.237944 F\n",
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{
"id": "jvasp-44365",
"created_at": "2022-09-04T14:38:10.779988Z",
"updated_at": "2022-09-04T14:38:10.780009Z",
"structure_string": "K2 Li8 Cr2 O10\n1.0\n5.544533 -0.010260 0.007481\n-2.755481 5.067325 -0.032409\n-1.185305 -0.900496 8.055575\nK Li Cr O\n2 8 2 10\ndirect\n0.396522 0.251118 0.590719 K\n0.603476 0.748880 0.409281 K\n0.439006 0.640276 0.914509 Li\n0.330371 -0.000378 0.874628 Li\n0.899540 0.614496 0.914628 Li\n0.115637 0.669644 0.623611 Li\n0.884361 0.330354 0.376389 Li\n0.100458 0.385502 0.085372 Li\n0.669627 0.000377 0.125372 Li\n0.560993 0.359722 0.085491 Li\n0.136159 0.909523 0.220976 Cr\n0.863840 0.090475 0.779024 Cr\n0.224441 0.267050 0.913507 O\n0.748870 0.232433 0.940666 O\n0.487708 0.833939 0.726355 O\n0.942342 0.824851 0.729939 O\n0.911056 0.275297 0.617418 O\n0.088943 0.724702 0.382582 O\n0.057656 0.175147 0.270061 O\n0.512290 0.166059 0.273646 O\n0.251128 0.767565 0.059334 O\n0.775557 0.732948 0.086493 O\n",
"nsites": 22,
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"volume": 226.00258604951821,
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{
"id": "jvasp-106201",
"created_at": "2022-09-04T14:38:15.720483Z",
"updated_at": "2022-09-04T14:38:15.720502Z",
"structure_string": "K2 Li1 Dy1 Cl6\n1.0\n6.253708 0.000000 3.610580\n2.084569 5.896052 3.610580\n0.000000 0.000000 7.221159\nK Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.744650 0.255350 0.255350 Cl\n0.255351 0.255350 0.744650 Cl\n0.255351 0.744649 0.744650 Cl\n0.255351 0.744649 0.255351 Cl\n0.744650 0.255350 0.744649 Cl\n0.744650 0.744649 0.255351 Cl\n",
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"formula_full": "K2 Li1 Dy1 Cl6",
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{
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"created_at": "2022-09-04T14:36:33.080460Z",
"updated_at": "2022-09-04T14:36:33.080482Z",
"structure_string": "K2 Li1 Er1 Cl6\n1.0\n6.224713 -0.000000 3.593840\n2.074904 5.868716 3.593840\n-0.000000 0.000000 7.187679\nK Li Er Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.745848 0.254152 0.254152 Cl\n0.254151 0.254152 0.745849 Cl\n0.254151 0.745849 0.745849 Cl\n0.254151 0.745849 0.254152 Cl\n0.745848 0.254152 0.745849 Cl\n0.745847 0.745849 0.254152 Cl\n",
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"volume": 262.57362465755364,
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"formula_full": "K2 Li1 Er1 Cl6",
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{
"id": "jvasp-100079",
"created_at": "2022-09-04T14:36:35.870472Z",
"updated_at": "2022-09-04T14:36:35.870488Z",
"structure_string": "K2 Li1 Eu1 Cl6\n1.0\n6.302756 0.000000 3.638898\n2.100918 5.942296 3.638898\n-0.000000 -0.000000 7.277796\nK Li Eu Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Eu\n0.742677 0.257323 0.257323 Cl\n0.257323 0.257323 0.742677 Cl\n0.257323 0.742677 0.742677 Cl\n0.257323 0.742677 0.257323 Cl\n0.742677 0.257323 0.742677 Cl\n0.742677 0.742677 0.257323 Cl\n",
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{
"id": "jvasp-112927",
"created_at": "2022-09-04T14:38:45.316469Z",
"updated_at": "2022-09-04T14:38:45.316502Z",
"structure_string": "K4 Li8 Fe4 O12\n1.0\n6.057556 -0.000000 0.000000\n0.000000 6.527285 0.000000\n-0.000000 -0.000000 8.656725\nK Li Fe O\n4 8 4 12\ndirect\n0.750000 0.177363 0.500016 K\n0.250000 0.322637 0.000015 K\n0.750000 0.677362 -0.000015 K\n0.250000 0.822637 0.499985 K\n0.500050 0.000053 0.771878 Li\n0.999950 0.000053 0.771878 Li\n0.499950 0.499947 0.271878 Li\n0.000050 0.499947 0.271878 Li\n0.500050 0.500052 0.728123 Li\n0.999950 0.500052 0.728123 Li\n0.000050 0.999947 0.228122 Li\n0.499950 0.999947 0.228122 Li\n0.250000 0.813369 0.999987 Fe\n0.750000 0.686630 0.499987 Fe\n0.250000 0.313369 0.500014 Fe\n0.750000 0.186630 0.000013 Fe\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 -0.000000 O\n0.250000 0.158975 0.319780 O\n0.250000 0.158845 0.680175 O\n0.750000 0.341155 0.180175 O\n0.750000 0.341024 0.819780 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.250000 0.658975 0.180220 O\n0.250000 0.658844 0.819826 O\n0.750000 0.841155 0.319826 O\n0.750000 0.841024 0.680220 O\n",
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{
"id": "jvasp-87192",
"created_at": "2022-09-04T14:35:58.010386Z",
"updated_at": "2022-09-04T14:35:58.010411Z",
"structure_string": "K8 Li12 Fe4 O16\n1.0\n5.485862 0.000000 -0.828053\n0.000000 8.740557 0.000000\n-0.002628 0.000000 10.359542\nK Li Fe O\n8 12 4 16\ndirect\n0.843213 0.992764 0.138484 K\n0.156786 0.007237 0.861516 K\n0.343213 0.507237 0.638484 K\n0.611867 0.773903 0.891995 K\n0.888132 0.273903 0.608005 K\n0.388132 0.226097 0.108005 K\n0.111868 0.726097 0.391995 K\n0.656786 0.492763 0.361516 K\n0.421343 0.261969 0.800211 Li\n0.801415 0.006205 0.429488 Li\n0.921343 0.238031 0.300211 Li\n0.605887 0.032143 0.702480 Li\n0.894112 0.532144 0.797520 Li\n0.394112 0.967857 0.297520 Li\n0.105888 0.467857 0.202480 Li\n0.301415 0.493795 0.929488 Li\n0.198584 0.993795 0.570512 Li\n0.698584 0.506206 0.070512 Li\n0.578656 0.738031 0.199789 Li\n0.078656 0.761969 0.699789 Li\n0.662667 0.786818 0.562923 Fe\n0.837332 0.286818 0.937077 Fe\n0.337332 0.213182 0.437077 Fe\n0.162667 0.713183 0.062923 Fe\n0.163647 0.395469 0.384557 O\n0.113848 0.324764 0.854785 O\n0.386151 0.824764 0.645215 O\n0.886151 0.675237 0.145215 O\n0.613848 0.175236 0.354785 O\n0.386661 0.189702 0.621505 O\n0.113338 0.689702 0.878494 O\n0.613338 0.810299 0.378495 O\n0.663647 0.104531 0.884557 O\n0.836352 0.604531 0.615443 O\n0.619448 0.451443 0.877511 O\n0.880551 0.951444 0.622489 O\n0.380551 0.548557 0.122489 O\n0.119449 0.048557 0.377511 O\n0.336352 0.895469 0.115443 O\n0.886661 0.310299 0.121506 O\n",
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"formula_full": "K8 Li12 Fe4 O16",
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{
"id": "jvasp-110338",
"created_at": "2022-09-04T14:38:39.471991Z",
"updated_at": "2022-09-04T14:38:39.472003Z",
"structure_string": "K2 Li1 Ga1 F6\n1.0\n4.882862 0.000000 2.819121\n1.627620 4.603606 2.819121\n0.000000 0.000000 5.638243\nK Li Ga F\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ga\n0.758424 0.241575 0.241575 F\n0.241575 0.241575 0.758424 F\n0.241575 0.758426 0.758424 F\n0.241575 0.758426 0.241575 F\n0.758424 0.241575 0.758424 F\n0.758424 0.758426 0.241575 F\n",
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{
"id": "jvasp-22973",
"created_at": "2022-09-04T14:37:32.801063Z",
"updated_at": "2022-09-04T14:37:32.801095Z",
"structure_string": "K8 Li12 Ga4 O16\n1.0\n0.000000 5.540330 0.009321\n8.778813 0.000000 0.000000\n0.000000 -3.978904 -10.209076\nK Li Ga O\n8 12 4 16\ndirect\n0.296982 0.992635 0.138964 K\n0.703019 0.492635 0.361036 K\n0.703020 0.007365 0.861036 K\n0.296982 0.507365 0.638964 K\n0.280301 0.724835 0.392048 K\n0.719699 0.224835 0.107953 K\n0.719700 0.275165 0.607953 K\n0.280302 0.775164 0.892048 K\n0.374048 0.508881 0.070780 Li\n0.374048 0.991118 0.570780 Li\n0.625954 0.491118 0.929220 Li\n0.092939 0.463555 0.203529 Li\n0.907062 0.963555 0.296471 Li\n0.625953 0.008881 0.429220 Li\n0.092939 0.036445 0.703530 Li\n0.381774 0.238463 0.299067 Li\n0.618227 0.738463 0.200933 Li\n0.618227 0.761537 0.700933 Li\n0.381774 0.261537 0.799067 Li\n0.907063 0.536445 0.796471 Li\n0.101255 0.211798 0.436948 Ga\n0.898745 0.711797 0.063053 Ga\n0.101256 0.288202 0.936948 Ga\n0.898746 0.788202 0.563053 Ga\n0.220016 0.106606 0.885555 O\n0.257378 0.049198 0.376478 O\n0.220016 0.393393 0.385555 O\n0.742623 0.549197 0.123523 O\n0.779985 0.893393 0.114445 O\n0.779985 0.606606 0.614445 O\n0.233659 0.310674 0.120578 O\n0.256065 0.677438 0.143087 O\n0.766343 0.689325 0.879423 O\n0.233659 0.189325 0.620578 O\n0.743935 0.177438 0.356913 O\n0.256066 0.822562 0.643087 O\n0.743936 0.322562 0.856914 O\n0.742624 0.950802 0.623523 O\n0.766342 0.810674 0.379422 O\n0.257378 0.450802 0.876478 O\n",
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{
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"created_at": "2022-09-04T14:35:40.820307Z",
"updated_at": "2022-09-04T14:35:40.820332Z",
"structure_string": "K20 Li4 Ge8 O28\n1.0\n6.243568 0.018221 0.000000\n-2.705697 9.967396 0.000000\n0.000000 0.000000 15.875680\nK Li Ge O\n20 4 8 28\ndirect\n0.829648 0.582122 0.433126 K\n0.170662 0.388567 0.155473 K\n0.495714 0.264159 0.870436 K\n0.788818 0.090304 0.165600 K\n0.995714 0.764159 0.629564 K\n0.829338 0.611434 0.844527 K\n0.504286 0.735842 0.129564 K\n0.329338 0.111434 0.655473 K\n0.820845 0.078700 0.556827 K\n0.670662 0.888567 0.344527 K\n0.004286 0.235841 0.370436 K\n0.320844 0.578701 0.943173 K\n0.288818 0.590304 0.334400 K\n0.711182 0.409696 0.665600 K\n0.329648 0.082122 0.066874 K\n0.179155 0.921300 0.443173 K\n0.211181 0.909696 0.834400 K\n0.679156 0.421300 0.056827 K\n0.670352 0.917878 0.933126 K\n0.170352 0.417878 0.566874 K\n0.399964 0.104867 0.279609 Li\n0.100036 0.395133 0.779609 Li\n0.899964 0.604867 0.220391 Li\n0.600036 0.895133 0.720391 Li\n0.616318 0.388724 0.265658 Ge\n0.383682 0.611276 0.734342 Ge\n0.508720 0.244610 0.446793 Ge\n0.116318 0.888724 0.234342 Ge\n0.883682 0.111276 0.765658 Ge\n0.491280 0.755390 0.553207 Ge\n0.008719 0.744610 0.053207 Ge\n0.991281 0.255390 0.946793 Ge\n0.438338 0.889646 0.612689 O\n0.561662 0.110355 0.387311 O\n0.593345 0.070474 0.783183 O\n0.739432 0.325830 0.509126 O\n0.239432 0.825831 0.990874 O\n0.464703 0.370984 0.367691 O\n0.435332 0.466210 0.782053 O\n0.760568 0.174170 0.009126 O\n0.490104 0.752195 0.798534 O\n0.035297 0.129016 0.867691 O\n0.964703 0.870984 0.132309 O\n0.245493 0.307232 0.002288 O\n0.938338 0.389645 0.887311 O\n0.406655 0.929526 0.216817 O\n0.564668 0.533790 0.217947 O\n0.745493 0.807232 0.497712 O\n0.254507 0.192768 0.502288 O\n0.509896 0.247805 0.201466 O\n0.009895 0.747805 0.298534 O\n0.906655 0.429526 0.283183 O\n0.093345 0.570474 0.716817 O\n0.935331 0.966210 0.717947 O\n0.990104 0.252195 0.701466 O\n0.061662 0.610355 0.112689 O\n0.754507 0.692768 0.997712 O\n0.064668 0.033790 0.282053 O\n0.535297 0.629016 0.632309 O\n0.260568 0.674170 0.490874 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-K-Li-O",
"density": 3.08816591282555,
"density_atomic": 0.06068207760343746,
"volume": 988.7598178840399,
"volume_molar": 9.924084668549424,
"formula_full": "K20 Li4 Ge8 O28",
"formula_reduced": "K5LiGe2O7",
"formula_anonymous": "AB2C5D7",
"energy_above_hull": 1.0728964266666663,
"spacegroup": 14
}
]
}