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{
"id": "jvasp-59047",
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"updated_at": "2022-09-04T14:38:36.300014Z",
"structure_string": "K8 Sn4 Te12\n1.0\n8.091680 0.000000 -3.015519\n-0.000000 8.679865 0.000000\n-0.002391 0.000000 12.357730\nK Sn Te\n8 4 12\ndirect\n0.077757 0.000000 0.155515 K\n0.422243 0.500000 0.844485 K\n0.922243 0.000000 0.844485 K\n0.577757 0.500000 0.155515 K\n0.234601 0.000000 0.469201 K\n0.734601 0.500000 0.469201 K\n0.265400 0.500000 0.530799 K\n0.765400 0.000000 0.530799 K\n0.585332 0.000000 0.170666 Sn\n0.914668 0.500000 0.829334 Sn\n0.414668 0.000000 0.829334 Sn\n0.085332 0.500000 0.170666 Sn\n0.671527 0.828220 -0.000000 Te\n0.341765 0.309915 0.302903 Te\n0.538863 0.190085 0.697097 Te\n0.158235 0.809915 0.697097 Te\n0.961137 0.690085 0.302903 Te\n0.658235 0.690085 0.697097 Te\n0.461137 0.809915 0.302903 Te\n0.841765 0.190085 0.302903 Te\n0.038863 0.309915 0.697097 Te\n0.828473 0.328220 -0.000000 Te\n0.328473 0.171781 -0.000000 Te\n0.171527 0.671781 -0.000000 Te\n",
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{
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"structure_string": "Te8 Mo6 S4\n1.0\n-1.543696 3.080000 0.000000\n0.000001 -0.000000 -13.956969\n-7.176090 -5.523719 0.000001\nTe Mo S\n8 6 4\ndirect\n0.900309 0.617249 0.800595 Te\n0.099691 0.117249 0.199406 Te\n0.099692 0.382751 0.199406 Te\n0.775071 0.119163 0.550154 Te\n0.224930 0.619163 0.449848 Te\n0.224930 0.880837 0.449848 Te\n0.775071 0.380837 0.550154 Te\n0.900309 0.882752 0.800595 Te\n0.785143 0.750000 0.570255 Mo\n0.888807 0.250000 0.777608 Mo\n0.458695 0.750000 0.917369 Mo\n0.541304 0.250000 0.082631 Mo\n0.111193 0.750000 0.222393 Mo\n0.214858 0.250000 0.429747 Mo\n0.436648 0.140436 0.873288 S\n0.563352 0.859564 0.126712 S\n0.563351 0.640436 0.126712 S\n0.436648 0.359564 0.873288 S\n",
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{
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"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
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"formula_full": "Mn1 Zn4 Se5",
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{
"id": "jvasp-54498",
"created_at": "2022-09-04T14:38:36.326671Z",
"updated_at": "2022-09-04T14:38:36.326697Z",
"structure_string": "Na8 Zn4 Cl16\n1.0\n6.423801 -0.000000 0.000000\n0.000000 7.973220 0.000000\n0.000000 0.000000 13.584366\nNa Zn Cl\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.490499 0.750000 0.769895 Na\n0.990499 0.250000 0.730105 Na\n0.009501 0.750000 0.269895 Na\n0.000000 0.000000 0.000000 Na\n0.509501 0.250000 0.230105 Na\n0.000000 0.500000 0.000000 Na\n0.411422 0.250000 0.908198 Zn\n0.911422 0.750000 0.591802 Zn\n0.588578 0.750000 0.091802 Zn\n0.088578 0.250000 0.408198 Zn\n0.237074 0.750000 0.091173 Cl\n0.756122 0.522293 0.666704 Cl\n0.256122 0.022293 0.833296 Cl\n0.243878 0.022293 0.333296 Cl\n0.243878 0.477707 0.333296 Cl\n0.743878 0.977707 0.166704 Cl\n0.265541 0.250000 0.064475 Cl\n0.234459 0.250000 0.564475 Cl\n0.737074 0.250000 0.408827 Cl\n0.762926 0.250000 0.908827 Cl\n0.734459 0.750000 0.935525 Cl\n0.756122 0.977707 0.666704 Cl\n0.765541 0.750000 0.435525 Cl\n0.262926 0.750000 0.591173 Cl\n0.256122 0.477707 0.833296 Cl\n0.743878 0.522293 0.166704 Cl\n",
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{
"id": "jvasp-55807",
"created_at": "2022-09-04T14:38:36.256052Z",
"updated_at": "2022-09-04T14:38:36.256087Z",
"structure_string": "Mn4 Se4 O16\n1.0\n5.008403 -0.000000 0.000000\n-0.000000 6.903886 0.000000\n0.000000 0.000000 9.366667\nMn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.520285 0.750000 0.181354 Se\n0.020286 0.250000 0.318646 Se\n0.479714 0.250000 0.818646 Se\n0.979714 0.750000 0.681355 Se\n0.056236 0.250000 0.136818 O\n0.943763 0.750000 0.863182 O\n0.300235 0.750000 0.623262 O\n0.800235 0.250000 0.876739 O\n0.699764 0.250000 0.376738 O\n0.199764 0.750000 0.123262 O\n0.667609 0.952136 0.124530 O\n0.332391 0.047865 0.875471 O\n0.332391 0.452135 0.875471 O\n0.832390 0.547865 0.624530 O\n0.443763 0.250000 0.636818 O\n0.832390 0.952136 0.624530 O\n0.667609 0.547865 0.124530 O\n0.167609 0.452135 0.375471 O\n0.167609 0.047865 0.375471 O\n0.556236 0.750000 0.363182 O\n",
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{
"id": "jvasp-31716",
"created_at": "2022-09-04T14:38:36.268171Z",
"updated_at": "2022-09-04T14:38:36.268197Z",
"structure_string": "Nb1 W3 Se8\n1.0\n3.365228 -0.196451 -13.090315\n1.513452 -3.012025 13.090302\n-3.364821 0.196972 -13.090218\nNb W Se\n1 3 8\ndirect\n0.799507 0.674602 0.125095 Nb\n0.208374 0.333302 0.874900 W\n0.284179 0.659270 0.625091 W\n0.708401 0.333301 0.374928 W\n0.028306 0.337499 0.691053 Se\n0.605247 0.666502 0.938539 Se\n0.478118 0.666660 0.811282 Se\n0.896442 0.337431 0.559128 Se\n0.517453 0.329162 0.188523 Se\n0.105369 0.666636 0.438529 Se\n0.977973 0.666527 0.311272 Se\n0.390633 0.329102 0.061655 Se\n",
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{
"id": "jvasp-59050",
"created_at": "2022-09-04T14:38:36.271789Z",
"updated_at": "2022-09-04T14:38:36.271816Z",
"structure_string": "Na6 Ti2 Cl12\n1.0\n0.000000 6.578971 -0.014336\n7.072681 0.000000 0.000000\n0.000000 -6.535261 -9.720965\nNa Ti Cl\n6 2 12\ndirect\n0.286556 0.090102 0.751882 Na\n0.713445 0.590102 0.748119 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.713445 0.909898 0.248118 Na\n0.286556 0.409898 0.251882 Na\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.094935 0.047092 0.231612 Cl\n0.905066 0.547092 0.268389 Cl\n0.768807 0.205452 0.429314 Cl\n0.231194 0.705452 0.070687 Cl\n0.231194 0.794547 0.570687 Cl\n0.632288 0.674191 0.435181 Cl\n0.367713 0.325809 0.564820 Cl\n0.367712 0.174191 0.064820 Cl\n0.632289 0.825809 0.935181 Cl\n0.094935 0.452908 0.731612 Cl\n0.768807 0.294547 0.929314 Cl\n0.905066 0.952908 0.768389 Cl\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:38:36.300182Z",
"structure_string": "Te8 Mo8 S8\n1.0\n-3.377899 0.197435 -0.000000\n0.000000 -0.000001 13.691739\n0.679689 11.628758 -0.000000\nTe Mo S\n8 8 8\ndirect\n0.000001 0.886606 0.688402 Te\n0.500001 0.883822 0.422488 Te\n0.999999 0.383823 0.327511 Te\n0.999999 0.116177 0.327511 Te\n0.500001 0.616178 0.422488 Te\n0.499999 0.386607 0.061598 Te\n0.499999 0.113393 0.061598 Te\n0.000001 0.613394 0.688402 Te\n0.999999 0.250000 0.150864 Mo\n0.000001 0.750000 0.859472 Mo\n0.499999 0.250000 0.890528 Mo\n0.500001 0.750000 0.599136 Mo\n0.999999 0.250000 0.657180 Mo\n0.000001 0.750000 0.329183 Mo\n0.499999 0.250000 0.420817 Mo\n0.500001 0.750000 0.092820 Mo\n0.000001 0.862306 0.168990 S\n0.499999 0.137691 0.581009 S\n0.500001 0.637820 0.934332 S\n0.999999 0.137818 0.815669 S\n0.999999 0.362182 0.815669 S\n0.500001 0.862180 0.934332 S\n0.000001 0.637694 0.168990 S\n0.499999 0.362309 0.581009 S\n",
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{
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"created_at": "2022-09-04T14:38:38.447382Z",
"updated_at": "2022-09-04T14:38:38.447400Z",
"structure_string": "Tb4 Si3 Ge1\n1.0\n3.880193 -0.000000 0.000000\n0.000000 4.300890 0.000000\n-0.000000 -0.000000 10.618574\nTb Si Ge\n4 3 1\ndirect\n0.000000 0.000000 0.138145 Tb\n-0.000000 0.500000 0.641246 Tb\n0.500000 0.500000 0.359298 Tb\n0.500000 0.000000 0.860201 Tb\n-0.000000 0.500000 0.923125 Si\n0.500000 0.500000 0.077450 Si\n0.500000 0.000000 0.581658 Si\n0.000000 0.000000 0.418877 Ge\n",
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