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{
"id": "jvasp-2391",
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"structure_string": "Ga2 Ag2 Te4\n1.0\n5.792174 0.000000 -2.676062\n-1.236377 5.658679 -2.676062\n0.002777 0.003450 7.612446\nGa Ag Te\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.499999 0.500000 0.000000 Ga\n0.250000 0.750000 0.500001 Ag\n0.000000 0.000000 0.000000 Ag\n0.390715 0.375000 0.250000 Te\n0.125000 0.609285 0.750001 Te\n0.625000 0.140715 0.750001 Te\n0.859284 0.875000 0.250000 Te\n",
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{
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{
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"structure_string": "Nb1 Tl3 Se4\n1.0\n-3.966514 -3.966514 3.966514\n-3.966514 3.966514 -3.966514\n3.966514 -3.966514 -3.966514\nNb Tl Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.499999 0.499999 0.000000 Tl\n0.499999 0.000000 0.499999 Tl\n0.000000 0.499999 0.499999 Tl\n0.646581 0.646581 0.646581 Se\n0.353418 0.000000 0.000000 Se\n0.000000 0.353418 0.000000 Se\n0.000000 0.000000 0.353418 Se\n",
"nsites": 8,
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"formula_full": "Nb1 Tl3 Se4",
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{
"id": "jvasp-3981",
"created_at": "2022-09-04T14:37:13.584549Z",
"updated_at": "2022-09-04T14:37:13.584568Z",
"structure_string": "K4 Cd1 P2\n1.0\n5.644772 -0.000000 0.000000\n-2.822386 4.593072 -1.673278\n0.000000 0.034435 9.615825\nK Cd P\n4 1 2\ndirect\n0.392219 0.784439 0.676478 K\n0.207805 0.415611 0.123575 K\n0.792193 0.584388 0.876424 K\n0.607779 0.215559 0.323521 K\n-0.000000 -0.000000 0.500000 Cd\n0.910641 0.821285 0.232154 P\n0.089357 0.178713 0.767845 P\n",
"nsites": 7,
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{
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"created_at": "2022-09-04T14:36:49.037603Z",
"updated_at": "2022-09-04T14:36:49.037625Z",
"structure_string": "H6 C12 S3 O1\n1.0\n4.366097 0.017554 -0.169698\n-1.953204 5.431834 -1.206549\n-0.247412 -0.084802 10.541107\nH C S O\n6 12 3 1\ndirect\n0.623971 0.722459 0.867615 H\n0.216125 0.112900 0.203052 H\n0.497561 0.449509 0.372681 H\n0.415270 0.880430 0.005887 H\n0.837872 0.545240 0.657916 H\n0.299179 0.652691 0.578726 H\n0.780691 0.815595 0.352873 C\n0.590665 0.012654 0.553987 C\n0.935585 0.761457 0.240029 C\n0.325462 0.343544 0.863869 C\n0.537574 0.176620 0.664396 C\n0.122012 0.536067 0.050687 C\n0.569679 0.647878 0.409881 C\n0.545961 0.527584 0.821629 C\n0.143070 0.913184 0.174751 C\n0.664945 0.429558 0.707821 C\n0.252074 0.786822 0.066665 C\n0.462311 0.757954 0.521479 C\n0.843959 0.116049 0.440613 S\n0.869512 0.452359 0.166434 S\n0.266770 0.052246 0.767923 S\n0.141998 0.336649 0.963949 O\n",
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{
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"structure_string": "Rb2 Ti2 Cl6\n1.0\n3.595229 -6.227120 0.000000\n3.595229 6.227120 0.000000\n-0.000000 -0.000000 5.575984\nRb Ti Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.749999 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.832196 0.664392 0.749999 Cl\n0.167805 0.832195 0.250000 Cl\n0.664392 0.832196 0.250000 Cl\n0.335608 0.167805 0.749999 Cl\n0.167805 0.335608 0.250000 Cl\n0.832195 0.167805 0.749999 Cl\n",
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{
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"created_at": "2022-09-04T14:37:32.454314Z",
"updated_at": "2022-09-04T14:37:32.454339Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.173911 -0.343345 0.931562\n0.601245 9.200028 1.405814\n0.618574 0.892043 8.799118\nMg Sn O\n4 4 8\ndirect\n0.401679 0.006386 0.350956 Mg\n0.594329 0.973531 0.677258 Mg\n0.203420 0.778654 0.122844 Mg\n0.792632 0.201271 0.905355 Mg\n0.350425 0.291236 0.579670 Sn\n0.026293 0.314707 0.205305 Sn\n0.969726 0.665203 0.822892 Sn\n0.645635 0.688684 0.448530 Sn\n0.211851 0.843635 0.587913 O\n0.383896 0.305383 0.810874 O\n0.612156 0.674541 0.217327 O\n0.784164 0.136279 0.440291 O\n0.026003 0.080828 0.741464 O\n0.578055 0.186302 0.144207 O\n0.970028 0.899092 0.286742 O\n0.417964 0.793606 0.883994 O\n",
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{
"id": "jvasp-47597",
"created_at": "2022-09-04T14:38:14.468219Z",
"updated_at": "2022-09-04T14:38:14.468235Z",
"structure_string": "Li4 Mn2 Co6 O16\n1.0\n5.643043 0.000043 -0.000097\n-2.821484 4.886955 0.000195\n-0.000035 0.000061 9.053629\nLi Mn Co O\n4 2 6 16\ndirect\n0.333348 0.666687 0.894655 Li\n0.999917 -0.000024 0.998345 Li\n0.000083 0.000061 0.498345 Li\n0.666653 0.333339 0.394655 Li\n0.333351 0.666692 0.489499 Mn\n0.666651 0.333342 0.989499 Mn\n0.829747 0.170293 0.712859 Co\n0.829752 0.659475 0.712854 Co\n0.340571 0.170292 0.712864 Co\n0.170253 0.340546 0.212859 Co\n0.170249 0.829725 0.212854 Co\n0.659430 0.829723 0.212864 Co\n0.332801 0.166416 0.099261 O\n0.833545 0.667144 0.099284 O\n0.666683 0.333359 0.606668 O\n0.520089 0.040141 0.840358 O\n0.520087 0.479963 0.840346 O\n0.667200 0.833616 0.599262 O\n0.479912 0.520054 0.340359 O\n0.040123 0.520067 0.340361 O\n0.166447 0.332873 0.599286 O\n0.000021 0.000006 0.807280 O\n-0.000020 -0.000014 0.307280 O\n0.333318 0.666678 0.106668 O\n0.959879 0.479944 0.840361 O\n0.166456 0.833599 0.599284 O\n0.479915 0.959878 0.340346 O\n0.833553 0.166425 0.099286 O\n",
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{
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"structure_string": "Ga3 As3 O12\n1.0\n2.496032 -4.323272 0.000013\n2.496075 4.323296 -0.000043\n-0.000073 -0.000076 11.569002\nGa As O\n3 3 12\ndirect\n-0.000003 0.553296 0.333326 Ga\n0.446702 0.446704 0.666657 Ga\n0.553297 0.000001 0.999990 Ga\n0.000000 0.555921 0.833325 As\n0.444078 0.444079 0.166656 As\n0.555925 0.000001 0.499990 As\n0.390198 0.087676 0.129962 O\n0.609797 0.697476 0.536688 O\n0.087678 0.390205 0.203352 O\n0.302531 0.912323 0.870019 O\n0.931199 0.323937 0.952324 O\n0.607263 0.676068 0.047659 O\n0.392739 0.068799 0.618991 O\n0.697473 0.609788 0.796629 O\n0.068797 0.392743 0.714322 O\n0.323944 0.931199 0.380989 O\n0.676053 0.607251 0.285660 O\n0.912322 0.302527 0.463295 O\n",
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{
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"created_at": "2022-09-04T14:38:11.641024Z",
"updated_at": "2022-09-04T14:38:11.641055Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.323118 0.001056 -0.125259\n0.350445 8.353781 -0.233796\n0.320090 2.749427 8.909850\nMg Sn O\n4 4 8\ndirect\n0.247237 0.350941 0.006380 Mg\n0.728523 0.677267 0.973535 Mg\n0.673808 0.123064 0.778702 Mg\n0.301967 0.905133 0.201222 Mg\n0.069844 0.579325 0.291238 Sn\n0.768230 0.204920 0.314712 Sn\n0.207537 0.823286 0.665200 Sn\n0.905914 0.448877 0.688679 Sn\n0.200181 0.588104 0.843632 O\n0.805117 0.810497 0.305328 O\n0.170655 0.217704 0.674595 O\n0.775582 0.440104 0.136281 O\n0.232615 0.741375 0.080801 O\n0.277652 0.143982 0.186340 O\n0.743144 0.286830 0.899116 O\n0.698114 0.884221 0.793572 O\n",
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{
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"structure_string": "Ba4 Cd1 Se1\n1.0\n0.000000 4.997938 4.997938\n4.997938 0.000000 4.997938\n4.997938 4.997938 0.000000\nBa Cd Se\n4 1 1\ndirect\n0.121166 0.626278 0.626278 Ba\n0.626278 0.626278 0.626278 Ba\n0.626278 0.121166 0.626278 Ba\n0.626278 0.626278 0.121166 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Se\n",
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{
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}