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{
"id": "jvasp-42594",
"created_at": "2022-09-04T14:35:46.270193Z",
"updated_at": "2022-09-04T14:35:46.270218Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.658983 -0.017138 0.008153\n0.226990 5.713715 0.001745\n0.227254 0.375660 7.857675\nMn O F\n6 4 8\ndirect\n0.529034 0.511219 0.001062 Mn\n0.504312 0.829692 0.660076 Mn\n0.457806 0.191689 0.351832 Mn\n0.004704 0.338934 0.674570 Mn\n0.002754 0.648278 0.307234 Mn\n0.985053 0.988943 0.007135 Mn\n0.310087 0.472373 0.220400 O\n0.298904 0.123554 0.572981 O\n0.812618 0.700768 0.098495 O\n0.701093 0.546462 0.768214 O\n0.208878 0.972890 0.236049 F\n0.797368 0.356151 0.439140 F\n0.790181 0.050210 0.772503 F\n0.698671 0.190831 0.122846 F\n0.710401 0.854001 0.426128 F\n0.288122 0.805305 0.887490 F\n0.193935 0.625023 0.543371 F\n0.206065 0.293659 0.910486 F\n",
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{
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"structure_string": "Co6 O8 F4\n1.0\n5.250383 0.103150 -0.009993\n1.258423 5.150901 -0.006068\n1.765153 1.400121 6.288047\nCo O F\n6 8 4\ndirect\n0.499999 0.500000 0.000000 Co\n0.499999 0.500000 0.500000 Co\n0.192266 0.139036 0.833005 Co\n0.187685 0.162062 0.325238 Co\n0.812313 0.837937 0.674763 Co\n0.807732 0.860964 0.166995 Co\n0.528339 0.150829 0.164667 O\n0.471659 0.849171 0.835334 O\n0.927544 0.935964 0.870477 O\n0.586389 0.616559 0.204012 O\n0.072454 0.064036 0.129524 O\n0.724747 0.738698 0.466329 O\n0.413609 0.383441 0.795989 O\n0.275251 0.261302 0.533672 O\n0.803607 0.211628 0.488528 F\n0.196392 0.788371 0.511473 F\n0.889893 0.446877 0.835093 F\n0.110105 0.553123 0.164908 F\n",
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{
"id": "jvasp-89930",
"created_at": "2022-09-04T14:36:04.172095Z",
"updated_at": "2022-09-04T14:36:04.172121Z",
"structure_string": "Ba3 Zn2 As4\n1.0\n0.000000 4.510935 -0.000000\n0.033209 -0.000000 7.269698\n7.810163 -2.255468 -3.309590\nBa Zn As\n3 2 4\ndirect\n0.855537 0.415206 0.711076 Ba\n0.144461 0.584795 0.288924 Ba\n0.000000 0.000000 0.000000 Ba\n0.669917 0.963701 0.339836 Zn\n0.330081 0.036299 0.660163 Zn\n0.793622 0.832216 0.587246 As\n0.206376 0.167784 0.412754 As\n0.509783 0.680948 0.019565 As\n0.490216 0.319053 0.980434 As\n",
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"formula_full": "Ba3 Zn2 As4",
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{
"id": "jvasp-43982",
"created_at": "2022-09-04T14:36:09.383725Z",
"updated_at": "2022-09-04T14:36:09.383760Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.991193 4.991193 3.138563\n-0.227075 4.752514 -3.119848\n-4.752514 0.227075 -3.119848\nMn O F\n6 4 8\ndirect\n0.842800 0.642698 0.669534 Mn\n0.670154 0.350171 0.309479 Mn\n0.329844 0.690521 0.649828 Mn\n0.157199 0.330466 0.357302 Mn\n0.499999 0.981264 0.018736 Mn\n-0.000001 0.986943 0.013056 Mn\n-0.000001 0.685050 0.314950 O\n-0.000001 0.290190 0.709810 O\n0.324959 0.987836 0.364224 O\n0.675039 0.635775 0.012164 O\n0.037034 0.767814 0.775551 F\n0.671705 0.034684 0.621251 F\n0.328293 0.378749 0.965316 F\n0.301965 0.899761 0.898860 F\n0.625127 0.570710 0.558223 F\n0.962963 0.224449 0.232186 F\n0.698032 0.101140 0.100239 F\n0.374870 0.441777 0.429290 F\n",
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{
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"updated_at": "2022-09-04T14:36:05.074862Z",
"structure_string": "Zr4 Al6 C8\n1.0\n3.360923 -0.000000 0.000000\n-1.680461 2.910644 -0.000000\n-0.000000 -0.000000 22.350893\nZr Al C\n4 6 8\ndirect\n0.333332 0.666666 0.058477 Zr\n0.666666 0.333332 0.941523 Zr\n0.333332 0.666666 0.441523 Zr\n0.666666 0.333332 0.558477 Zr\n0.333332 0.666666 0.750000 Al\n0.666666 0.333332 0.250000 Al\n0.000000 0.000000 0.159274 Al\n0.000000 0.000000 0.840726 Al\n0.000000 0.000000 0.340726 Al\n0.000000 0.000000 0.659274 Al\n0.000000 0.000000 0.500000 C\n0.666666 0.333332 0.371531 C\n0.333332 0.666666 0.628469 C\n0.333332 0.666666 0.871530 C\n0.000000 0.000000 0.000000 C\n0.666666 0.333332 0.128469 C\n0.000000 0.000000 0.250000 C\n0.000000 0.000000 0.750000 C\n",
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{
"id": "jvasp-90047",
"created_at": "2022-09-04T14:36:02.606490Z",
"updated_at": "2022-09-04T14:36:02.606507Z",
"structure_string": "Ti4 H3 Pd2\n1.0\n2.833826 0.000000 0.000000\n0.000000 2.833821 0.000000\n0.000000 0.000000 12.673012\nTi H Pd\n4 3 2\ndirect\n0.000000 0.000000 0.339484 Ti\n0.000000 0.000000 0.660498 Ti\n0.500001 0.500000 0.827469 Ti\n0.500001 0.500000 0.172511 Ti\n0.500001 0.500000 -0.000016 H\n0.500001 0.500000 0.321202 H\n0.500001 0.500000 0.678779 H\n0.000000 0.000000 -0.000017 Pd\n0.500001 0.500000 0.499989 Pd\n",
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{
"id": "jvasp-42798",
"created_at": "2022-09-04T14:36:08.390315Z",
"updated_at": "2022-09-04T14:36:08.390344Z",
"structure_string": "Mn6 O4 F8\n1.0\n0.000000 6.693223 0.001126\n3.104955 0.000000 0.000000\n0.000000 -3.345335 -10.119999\nMn O F\n6 4 8\ndirect\n0.990482 0.000000 0.980944 Mn\n0.837425 0.499999 0.674855 Mn\n0.495910 0.499999 0.991812 Mn\n0.666665 0.000000 0.333333 Mn\n0.342853 0.000000 0.685723 Mn\n0.166666 0.499999 0.333333 Mn\n0.973155 0.000000 0.333331 O\n0.401694 0.499999 0.803424 O\n0.931641 0.499999 0.863242 O\n0.360175 0.000000 0.333334 O\n0.634232 0.000000 0.661259 F\n0.306327 0.000000 0.005422 F\n0.027007 0.000000 0.661243 F\n0.699105 0.000000 0.005410 F\n0.736494 0.499999 0.473038 F\n0.275990 0.499999 0.551985 F\n0.596834 0.499999 0.193629 F\n0.057348 0.499999 0.114682 F\n",
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{
"id": "jvasp-90405",
"created_at": "2022-09-04T14:36:04.144170Z",
"updated_at": "2022-09-04T14:36:04.144190Z",
"structure_string": "Er3 Co2 Ge4\n1.0\n0.000000 -4.130984 0.000000\n-5.029567 2.065492 1.584261\n0.054443 0.000000 -7.956843\nEr Co Ge\n3 2 4\ndirect\n0.375056 0.750111 0.307159 Er\n0.624944 0.249891 0.692841 Er\n0.000000 0.000000 0.000000 Er\n0.307836 0.615671 0.626566 Co\n0.692164 0.384330 0.373434 Co\n0.094359 0.188718 0.397031 Ge\n0.905641 0.811283 0.602969 Ge\n0.705879 0.411759 0.080291 Ge\n0.294121 0.588242 0.919709 Ge\n",
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"density": 9.162197923552732,
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{
"id": "jvasp-85756",
"created_at": "2022-09-04T14:36:02.731306Z",
"updated_at": "2022-09-04T14:36:02.731332Z",
"structure_string": "Ca6 In4 As8\n1.0\n4.365523 0.000000 0.000000\n0.000000 6.611679 -0.000000\n0.000000 0.000000 16.172100\nCa In As\n6 4 8\ndirect\n0.000000 0.280904 0.804877 Ca\n0.500000 0.780904 0.695123 Ca\n0.000000 0.719096 0.195123 Ca\n0.500000 0.219096 0.304877 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.641911 0.911058 In\n0.000000 0.141911 0.588942 In\n0.000000 0.858090 0.411058 In\n0.500000 0.358089 0.088942 In\n0.000000 0.739139 0.571788 As\n0.500000 0.239139 0.928212 As\n0.500000 0.760861 0.071788 As\n0.000000 0.224094 0.174514 As\n0.000000 0.260861 0.428212 As\n0.500000 0.724094 0.325486 As\n0.000000 0.775906 0.825486 As\n0.500000 0.275906 0.674514 As\n",
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{
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"created_at": "2022-09-04T14:36:06.202694Z",
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"structure_string": "Mn6 O4 F8\n1.0\n4.653310 0.000000 0.000000\n0.000000 4.698471 0.000000\n0.000000 0.000000 9.586557\nMn O F\n6 4 8\ndirect\n0.995279 0.711266 0.825323 Mn\n0.995279 0.711266 0.174677 Mn\n0.031467 0.750278 0.500000 Mn\n0.495279 0.288734 0.674677 Mn\n0.531467 0.249722 0.000000 Mn\n0.495279 0.288734 0.325323 Mn\n0.690786 0.438998 0.167145 O\n0.690786 0.438998 0.832855 O\n0.190786 0.561002 0.332855 O\n0.190786 0.561002 0.667146 O\n0.795787 0.978908 0.342881 F\n0.189181 0.515603 0.000000 F\n0.689182 0.484397 0.500000 F\n0.295787 0.021092 0.842881 F\n0.295787 0.021092 0.157119 F\n0.315650 0.089804 0.500000 F\n0.815650 0.910196 0.000000 F\n0.795787 0.978908 0.657119 F\n",
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{
"id": "jvasp-90031",
"created_at": "2022-09-04T14:36:07.970695Z",
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"structure_string": "Ba3 Cd2 As4\n1.0\n-0.000000 4.639002 0.000000\n0.034570 0.000000 7.362847\n7.955988 -2.319500 -3.232837\nBa Cd As\n3 2 4\ndirect\n0.857403 0.419229 0.714807 Ba\n0.142596 0.580771 0.285193 Ba\n0.000000 0.000000 0.000000 Ba\n0.668079 0.972454 0.336158 Cd\n0.331921 0.027546 0.663843 Cd\n0.792459 0.805216 0.584919 As\n0.207540 0.194784 0.415081 As\n0.503839 0.674929 0.007679 As\n0.496161 0.325071 0.992321 As\n",
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{
"id": "jvasp-48361",
"created_at": "2022-09-04T14:37:03.039958Z",
"updated_at": "2022-09-04T14:37:03.039982Z",
"structure_string": "Co6 O4 F8\n1.0\n-4.842721 4.842721 2.937760\n-0.214460 4.617257 -2.924129\n-4.617257 0.214460 -2.924129\nCo O F\n6 4 8\ndirect\n0.841167 0.649193 0.669827 Co\n0.335074 0.692761 0.645687 Co\n0.664927 0.354314 0.307239 Co\n0.158833 0.330173 0.350808 Co\n0.500000 0.988599 0.011402 Co\n0.000000 0.990024 0.009977 Co\n0.000000 0.687263 0.312738 O\n0.000000 0.292839 0.707162 O\n0.332809 0.980055 0.357507 O\n0.667191 0.642493 0.019946 O\n0.034116 0.765966 0.771688 F\n0.331262 0.374114 0.967858 F\n0.668739 0.032142 0.625887 F\n0.633493 0.563402 0.568126 F\n0.311578 0.904642 0.908163 F\n0.965884 0.228313 0.234034 F\n0.366508 0.431875 0.436598 F\n0.688422 0.091838 0.095358 F\n",
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}