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{
"id": "jvasp-28545",
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"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.237703 0.000000 0.000000\n-1.618852 2.800653 -0.134836\n0.000000 -0.960429 19.168473\nMo W Se S\n1 2 2 4\ndirect\n0.222948 0.445895 0.017132 Mo\n0.445002 0.890004 0.681176 W\n0.665350 0.330701 0.342625 W\n0.748186 0.496371 0.591310 Se\n0.808484 0.616966 0.771018 Se\n0.359440 0.718880 0.424324 S\n0.529022 0.058045 0.935901 S\n0.583562 0.167125 0.098403 S\n0.304603 0.609205 0.260950 S\n",
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{
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"structure_string": "Li1 Mn1 P1 O4\n1.0\n-0.000000 4.293503 0.000000\n2.146751 -2.146752 4.640871\n4.293503 0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.750000 0.500000 0.749999 Mn\n0.000000 0.000000 0.000000 P\n0.318963 0.193890 0.098077 O\n0.708034 0.806109 0.318962 O\n0.874926 0.193890 0.708033 O\n0.098077 0.806109 0.874926 O\n",
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{
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"updated_at": "2022-09-04T14:37:39.053747Z",
"structure_string": "Ba10 Re6 Br2 O30\n1.0\n5.544625 -9.603572 -0.000000\n5.544625 9.603572 0.000000\n0.000000 -0.000000 7.854861\nBa Re Br O\n10 6 2 30\ndirect\n-0.000000 0.265239 0.745852 Ba\n0.333333 0.666667 0.004704 Ba\n0.265239 0.265239 0.245853 Ba\n0.734760 0.734760 0.745852 Ba\n0.666667 0.333333 0.004704 Ba\n0.734760 -0.000000 0.245853 Ba\n0.666667 0.333333 0.504704 Ba\n0.333333 0.666667 0.504704 Ba\n0.265239 -0.000000 0.745852 Ba\n-0.000000 0.734760 0.245853 Ba\n-0.000000 0.608272 0.797658 Re\n-0.000000 0.391728 0.297658 Re\n0.391728 0.391728 0.797658 Re\n0.608272 -0.000000 0.797658 Re\n0.608271 0.608271 0.297658 Re\n0.391728 -0.000000 0.297658 Re\n0.000000 0.000000 0.978608 Br\n0.000000 0.000000 0.478608 Br\n0.297291 -0.000000 0.116653 O\n0.578661 0.131029 0.258348 O\n-0.000000 0.702708 0.616653 O\n0.389427 0.132292 0.439118 O\n0.421338 0.552366 0.258348 O\n0.552366 0.421338 0.258348 O\n0.868970 0.447633 0.258348 O\n0.610572 0.742864 0.439118 O\n0.702708 0.702708 0.116653 O\n0.742864 0.132292 0.939118 O\n0.552366 0.131029 0.758347 O\n0.257135 0.867707 0.439118 O\n0.131029 0.578661 0.258348 O\n0.868970 0.421338 0.758347 O\n-0.000000 0.297291 0.116653 O\n0.447633 0.578661 0.758347 O\n0.702708 -0.000000 0.616653 O\n0.867707 0.610572 0.939118 O\n0.447633 0.868970 0.258348 O\n0.132292 0.742864 0.939118 O\n0.421338 0.868970 0.758347 O\n0.578661 0.447633 0.758347 O\n0.297291 0.297291 0.616653 O\n0.389427 0.257135 0.939118 O\n0.742864 0.610572 0.439118 O\n0.867707 0.257135 0.439118 O\n0.610572 0.867707 0.939118 O\n0.131029 0.552366 0.758347 O\n0.132292 0.389427 0.439118 O\n0.257135 0.389427 0.939118 O\n",
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"formula_full": "Ba10 Re6 Br2 O30",
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{
"id": "jvasp-32465",
"created_at": "2022-09-04T14:37:56.863455Z",
"updated_at": "2022-09-04T14:37:56.863471Z",
"structure_string": "C2 S4 N2 F10\n1.0\n4.780462 0.102294 -0.054660\n-0.092861 7.129852 -0.873470\n-0.000816 0.068553 7.747957\nC S N F\n2 4 2 10\ndirect\n0.627875 0.484337 0.219535 C\n0.372124 0.515661 0.780466 C\n0.110628 0.193191 0.771929 S\n0.889371 0.806808 0.228071 S\n0.473850 0.323886 0.293439 S\n0.526149 0.676113 0.706562 S\n0.746903 0.603461 0.145731 N\n0.253096 0.396538 0.854269 N\n0.048149 0.712872 0.383802 F\n0.969051 -0.003546 0.697964 F\n0.842639 0.235850 0.893392 F\n0.951850 0.287127 0.616198 F\n0.259918 0.087685 0.920157 F\n0.157360 0.764148 0.106608 F\n0.740081 0.912314 0.079843 F\n0.371566 0.136971 0.643484 F\n0.030948 0.003545 0.302036 F\n0.628433 0.863028 0.356517 F\n",
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{
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"created_at": "2022-09-04T14:37:46.499694Z",
"updated_at": "2022-09-04T14:37:46.499727Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.185401 0.000000 -1.632031\n-0.543850 5.309943 -1.727956\n-0.042186 -0.065705 8.919684\nSr Mn Ga O\n4 2 2 10\ndirect\n0.387535 0.874432 0.779290 Sr\n0.608244 0.125569 0.220709 Sr\n0.108244 0.595139 0.220708 Sr\n0.887535 0.404861 0.779291 Sr\n0.494287 0.500000 -0.000000 Mn\n0.994287 0.000000 0.000000 Mn\n0.784080 0.819035 0.500000 Ga\n0.284079 0.180965 0.499999 Ga\n0.751907 0.753926 0.012529 O\n0.630700 0.123857 0.499999 O\n0.251908 0.758603 0.012530 O\n0.118464 0.189994 0.286062 O\n0.832401 0.810006 0.713937 O\n0.618464 0.596066 0.286061 O\n0.332402 0.403934 0.713938 O\n0.130701 0.876144 0.500000 O\n0.239377 0.241398 0.987469 O\n0.739377 0.246074 0.987470 O\n",
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"formula_full": "Sr4 Mn2 Ga2 O10",
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{
"id": "jvasp-28593",
"created_at": "2022-09-04T14:37:46.482690Z",
"updated_at": "2022-09-04T14:37:46.482719Z",
"structure_string": "Te2 Mo4 Se4 S2\n1.0\n3.348267 0.000005 0.000064\n-1.674128 2.899681 0.000001\n0.000675 0.000336 35.219638\nTe Mo Se S\n2 4 4 2\ndirect\n0.666658 0.333339 0.412452 Te\n0.666629 0.333337 0.520437 Te\n0.333403 0.666646 0.096327 Mo\n0.333311 0.666670 0.466474 Mo\n0.666698 0.333331 0.276034 Mo\n0.666595 0.333359 0.664113 Mo\n0.333252 0.666693 0.711371 Se\n0.666738 0.333295 0.049068 Se\n0.666731 0.333332 0.143636 Se\n0.333274 0.666688 0.616767 Se\n0.333330 0.666622 0.319129 S\n0.333400 0.666706 0.232938 S\n",
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{
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"created_at": "2022-09-04T14:37:46.452586Z",
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"structure_string": "Li2 Mn1 Cr3 O8\n1.0\n5.813508 -0.009927 -0.007019\n2.898157 5.039609 -0.007019\n2.898157 1.673252 4.753728\nLi Mn Cr O\n2 1 3 8\ndirect\n0.126945 0.126945 0.126945 Li\n0.873057 0.873055 0.873055 Li\n0.500001 0.500000 0.500000 Mn\n0.000001 0.500000 0.500000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.500001 0.500000 -0.000000 Cr\n0.263159 0.263159 0.263159 O\n0.265624 0.265623 0.712438 O\n0.265624 0.712438 0.265624 O\n0.712439 0.265623 0.265624 O\n0.287563 0.734376 0.734376 O\n0.734377 0.287561 0.734376 O\n0.734377 0.734376 0.287562 O\n0.736843 0.736841 0.736841 O\n",
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{
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"structure_string": "Cu2 Hg1 Ge1 Se4\n1.0\n5.325921 0.000000 -2.451160\n-1.128103 5.205077 -2.451160\n-0.026132 -0.032402 6.954925\nCu Hg Ge Se\n2 1 1 4\ndirect\n0.250001 0.750001 0.500001 Cu\n0.750000 0.250000 0.500001 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Ge\n0.407272 0.407272 0.274920 Se\n0.592728 0.132353 0.725081 Se\n0.132353 0.592729 0.725082 Se\n0.867648 0.867648 0.274920 Se\n",
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{
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"structure_string": "K2 Ti1 Hg1 F6\n1.0\n5.742108 -0.000000 3.315207\n1.914036 5.413711 3.315207\n-0.000000 -0.000000 6.630415\nK Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Hg\n0.200973 0.200973 0.799027 F\n0.200973 0.799027 0.799027 F\n0.799028 0.799027 0.200973 F\n0.200973 0.799027 0.200973 F\n0.799028 0.200973 0.799027 F\n0.799028 0.200973 0.200973 F\n",
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{
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"created_at": "2022-09-04T14:37:46.397626Z",
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"structure_string": "Tb2 Re2 Si2 C1\n1.0\n-0.000000 -4.005498 -0.000000\n4.368742 -2.002748 -3.335188\n4.349988 -2.002748 3.633186\nTb Re Si C\n2 2 2 1\ndirect\n0.427827 0.845243 0.299105 Tb\n0.572174 0.154756 0.700895 Tb\n0.793206 0.321317 0.092272 Re\n0.206795 0.678683 0.907729 Re\n0.857241 0.602930 0.682589 Si\n0.142760 0.397069 0.317412 Si\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Tb2 Re2 Si2 C1",
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{
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"created_at": "2022-09-04T14:37:46.339817Z",
"updated_at": "2022-09-04T14:37:46.339841Z",
"structure_string": "Na2 Nd1 Cu1 Cl6\n1.0\n6.342937 -0.000000 3.662096\n2.114312 5.980179 3.662096\n-0.000000 -0.000000 7.324193\nNa Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cu\n0.739647 0.260353 0.260354 Cl\n0.260353 0.260353 0.739647 Cl\n0.260353 0.739647 0.739647 Cl\n0.260353 0.739647 0.260354 Cl\n0.739647 0.260353 0.739647 Cl\n0.739647 0.739647 0.260354 Cl\n",
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}