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{
"id": "jvasp-112375",
"created_at": "2022-09-04T14:38:39.505828Z",
"updated_at": "2022-09-04T14:38:39.505859Z",
"structure_string": "Bi4 Te4 Ir4\n1.0\n6.628650 0.000000 0.000000\n0.000000 6.628650 0.000000\n-0.000000 0.000000 6.628650\nBi Te Ir\n4 4 4\ndirect\n0.131659 0.868341 0.368341 Bi\n0.868341 0.368341 0.131659 Bi\n0.368341 0.131659 0.868341 Bi\n0.631659 0.631659 0.631659 Bi\n0.874084 0.125916 0.625916 Te\n0.125916 0.625916 0.874084 Te\n0.625916 0.874084 0.125916 Te\n0.374084 0.374084 0.374084 Te\n0.493599 0.506401 0.006401 Ir\n0.506401 0.006401 0.493599 Ir\n0.006401 0.493599 0.506401 Ir\n0.993599 0.993599 0.993599 Ir\n",
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"structure_string": "Na1 C1 S1\n1.0\n3.576580 -0.000000 0.000000\n-0.000000 3.576580 -0.000000\n0.000000 0.000000 6.566013\nNa C S\n1 1 1\ndirect\n0.000000 -0.000000 0.019345 Na\n0.000000 -0.000000 0.369745 C\n0.000000 -0.000000 0.607358 S\n",
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{
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"created_at": "2022-09-04T14:38:39.500673Z",
"updated_at": "2022-09-04T14:38:39.500693Z",
"structure_string": "K3 Pr1 Br6\n1.0\n7.252622 0.000000 4.187304\n2.417541 6.837838 4.187304\n0.000000 0.000000 8.374607\nK Pr Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.757085 0.242915 0.242914 Br\n0.242915 0.242915 0.757085 Br\n0.242914 0.757086 0.757085 Br\n0.242914 0.757086 0.242914 Br\n0.757085 0.242915 0.757085 Br\n0.757085 0.757086 0.242914 Br\n",
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{
"id": "jvasp-118444",
"created_at": "2022-09-04T14:38:39.486229Z",
"updated_at": "2022-09-04T14:38:39.486245Z",
"structure_string": "In1 H2 O1\n1.0\n3.339812 -2.711976 0.161580\n3.339812 2.711976 0.161580\n-0.238474 0.000000 3.246129\nIn H O\n1 2 1\ndirect\n0.233128 0.766870 -0.000000 In\n0.597159 0.164200 0.492257 H\n-0.164202 0.402841 0.507743 H\n0.824911 0.175088 0.500000 O\n",
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"elements": [
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"spacegroup": 38
},
{
"id": "jvasp-110501",
"created_at": "2022-09-04T14:38:39.481103Z",
"updated_at": "2022-09-04T14:38:39.481134Z",
"structure_string": "Tb4 Cd2 Ni4\n1.0\n7.361918 0.000000 0.000000\n-0.000000 7.361918 -0.000000\n0.000000 0.000000 3.663802\nTb Cd Ni\n4 2 4\ndirect\n0.675459 0.175459 0.500000 Tb\n0.324541 0.824541 0.500000 Tb\n0.175459 0.324541 0.500000 Tb\n0.824541 0.675459 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.118844 0.618844 0.000000 Ni\n0.881157 0.381156 0.000000 Ni\n0.618844 0.881157 0.000000 Ni\n0.381156 0.118844 0.000000 Ni\n",
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"density": 9.159400487977948,
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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",
"nsites": 10,
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{
"id": "jvasp-110389",
"created_at": "2022-09-04T14:38:39.467464Z",
"updated_at": "2022-09-04T14:38:39.467485Z",
"structure_string": "Ba2 Nb1 Bi1 O6\n1.0\n5.302132 -0.016603 2.988857\n1.738484 5.009048 2.988857\n-0.023415 -0.016603 6.086487\nBa Nb Bi O\n2 1 1 6\ndirect\n0.251329 0.251330 0.251330 Ba\n0.748668 0.748672 0.748672 Ba\n0.499999 0.500001 0.500001 Nb\n0.000000 0.000000 0.000000 Bi\n0.726131 0.212727 0.325737 O\n0.212724 0.325737 0.726133 O\n0.325735 0.726132 0.212727 O\n0.273867 0.787275 0.674265 O\n0.674262 0.273869 0.787275 O\n0.787273 0.674265 0.273869 O\n",
"nsites": 10,
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"elements": [
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"density": 6.87867881388389,
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"spacegroup": 148
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{
"id": "jvasp-115764",
"created_at": "2022-09-04T14:38:39.466763Z",
"updated_at": "2022-09-04T14:38:39.466786Z",
"structure_string": "Na1 C1 S1\n1.0\n4.323554 -0.000000 0.000000\n-2.161777 3.744307 -0.000000\n-0.000000 0.000000 3.503885\nNa C S\n1 1 1\ndirect\n0.333332 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 C\n0.666665 0.333334 0.000000 S\n",
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{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
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{
"id": "jvasp-110507",
"created_at": "2022-09-04T14:38:39.466112Z",
"updated_at": "2022-09-04T14:38:39.466139Z",
"structure_string": "Pr4 Ge4 Ru2\n1.0\n5.370464 0.014499 2.817722\n3.588989 3.995153 2.817722\n-0.007876 -0.003525 10.730630\nPr Ge Ru\n4 4 2\ndirect\n0.004478 0.004478 0.326120 Pr\n0.995521 0.995522 0.673880 Pr\n0.815028 0.815029 0.107625 Pr\n0.184970 0.184972 0.892375 Pr\n0.657453 0.657454 0.430282 Ge\n0.342546 0.342547 0.569718 Ge\n0.504083 0.504083 0.128973 Ge\n0.495915 0.495918 0.871027 Ge\n0.722539 0.722541 0.623251 Ru\n0.277459 0.277460 0.376749 Ru\n",
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{
"id": "jvasp-110707",
"created_at": "2022-09-04T14:38:39.464343Z",
"updated_at": "2022-09-04T14:38:39.464370Z",
"structure_string": "Na2 Li1 Sc1 Cl6\n1.0\n6.035238 -0.000000 3.484446\n2.011746 5.690077 3.484446\n-0.000000 -0.000000 6.968892\nNa Li Sc Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.750104 0.249897 0.249897 Cl\n0.249897 0.249897 0.750103 Cl\n0.249897 0.750104 0.750103 Cl\n0.249897 0.750104 0.249897 Cl\n0.750104 0.249897 0.750103 Cl\n0.750104 0.750104 0.249897 Cl\n",
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{
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"created_at": "2022-09-04T14:38:39.462913Z",
"updated_at": "2022-09-04T14:38:39.462938Z",
"structure_string": "Ta4 Te6\n1.0\n3.474962 0.000099 0.593240\n1.662141 7.422427 0.738379\n0.000810 0.102557 10.468264\nTa Te\n4 6\ndirect\n0.417064 0.020778 0.145076 Ta\n0.582935 0.979222 0.854924 Ta\n0.225497 0.937153 0.611903 Ta\n0.774502 0.062848 0.388097 Ta\n0.431599 0.772618 0.364206 Te\n0.568400 0.227383 0.635794 Te\n0.192066 0.330589 0.285175 Te\n0.807933 0.669412 0.714824 Te\n0.102494 0.765425 0.029608 Te\n0.897505 0.234576 0.970391 Te\n",
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