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{
"id": "jvasp-106411",
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"structure_string": "K3 As1 Br6\n1.0\n6.950857 -0.000000 4.013079\n2.316952 6.553331 4.013079\n-0.000000 -0.000000 8.026159\nK As 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 As\n0.766457 0.233543 0.233543 Br\n0.233543 0.233543 0.766457 Br\n0.233543 0.766457 0.766458 Br\n0.233543 0.766457 0.233543 Br\n0.766457 0.233543 0.766457 Br\n0.766457 0.766457 0.233543 Br\n",
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{
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"structure_string": "Ba1 Mg1 Mn1\n1.0\n0.000000 3.891909 3.891909\n3.891909 0.000000 3.891909\n3.891909 3.891909 -0.000000\nBa Mg Mn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
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{
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"structure_string": "Li10 Bi2 S8\n1.0\n5.660617 0.000000 0.000000\n0.000000 7.749389 0.000000\n0.000000 0.000000 9.232272\nLi Bi S\n10 2 8\ndirect\n0.243810 0.734761 0.704019 Li\n0.756191 0.765240 0.795981 Li\n0.233009 0.500000 0.000000 Li\n0.756191 0.234761 0.204019 Li\n0.756191 0.765240 0.204019 Li\n0.756191 0.234761 0.795981 Li\n0.243810 0.734761 0.295981 Li\n0.766992 0.000000 0.500000 Li\n0.243810 0.265240 0.704019 Li\n0.243810 0.265240 0.295981 Li\n0.819678 0.500000 0.500000 Bi\n0.180323 0.000000 0.000000 Bi\n0.486263 0.250128 0.000000 S\n0.987775 0.500000 0.784947 S\n0.513737 0.750128 0.500000 S\n0.513737 0.249872 0.500000 S\n0.987775 0.500000 0.215052 S\n0.012225 0.000000 0.284948 S\n0.486263 0.749872 0.000000 S\n0.012225 0.000000 0.715052 S\n",
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{
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"structure_string": "Na1 Li2 Rh1 F6\n1.0\n5.025309 -0.000000 2.901363\n1.675103 4.737907 2.901363\n-0.000000 -0.000000 5.802727\nNa Li Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.749999 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Rh\n0.759341 0.240659 0.240658 F\n0.240659 0.240659 0.759342 F\n0.240658 0.759342 0.759341 F\n0.240658 0.759342 0.240658 F\n0.759341 0.240659 0.759341 F\n0.759341 0.759342 0.240658 F\n",
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"structure_string": "Ba1 Ca2 Y1\n1.0\n4.191615 -0.000000 0.000000\n-0.000000 4.191232 0.000000\n0.000000 0.000000 9.495512\nBa Ca Y\n1 2 1\ndirect\n0.500001 0.500000 0.000000 Ba\n0.000000 0.000000 0.287681 Ca\n0.000000 0.000000 0.712319 Ca\n0.500001 0.500000 0.500000 Y\n",
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{
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"updated_at": "2022-09-04T14:38:08.498618Z",
"structure_string": "Na2 P8 N14\n1.0\n5.087180 -0.002826 0.921892\n0.884641 6.974944 2.648799\n-0.000762 -0.008955 7.513222\nNa P N\n2 8 14\ndirect\n0.750000 0.211222 0.788777 Na\n0.250000 0.788777 0.211223 Na\n0.802494 0.751914 0.905922 P\n0.697506 0.094077 0.248086 P\n0.197506 0.248086 0.094077 P\n0.302494 0.905922 0.751914 P\n0.785300 0.458312 0.296559 P\n0.714700 0.703440 0.541687 P\n0.214701 0.541687 0.703441 P\n0.285300 0.296559 0.458313 P\n0.606641 0.266465 0.363176 N\n0.893359 0.636824 0.733535 N\n0.186721 0.107401 0.609820 N\n0.313280 0.390180 0.892599 N\n0.813279 0.892598 0.390180 N\n0.686720 0.609820 0.107401 N\n0.250000 0.480747 0.519253 N\n0.072783 0.820036 0.920872 N\n0.572783 0.920872 0.820035 N\n0.927217 0.179964 0.079128 N\n0.106641 0.363176 0.266465 N\n0.750000 0.519253 0.480747 N\n0.427217 0.079127 0.179964 N\n0.393359 0.733535 0.636824 N\n",
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{
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"created_at": "2022-09-04T14:36:15.010579Z",
"updated_at": "2022-09-04T14:36:15.010614Z",
"structure_string": "Ca8 Mg4 Si8 O28\n1.0\n7.734508 0.000000 0.000000\n0.000000 8.243789 -3.863289\n0.000000 -0.049310 9.335910\nCa Mg Si O\n8 4 8 28\ndirect\n0.441402 0.715584 0.800044 Ca\n0.283248 0.454426 0.025557 Ca\n0.216752 0.954426 0.525557 Ca\n0.941402 0.784416 0.699956 Ca\n0.558598 0.284416 0.199956 Ca\n0.058598 0.215584 0.300044 Ca\n0.783249 0.045574 0.474443 Ca\n0.716752 0.545574 0.974442 Ca\n0.102959 0.824730 0.110799 Mg\n0.397041 0.324729 0.610799 Mg\n0.897041 0.175271 0.889201 Mg\n0.602959 0.675271 0.389201 Mg\n0.456728 0.875464 0.211975 Si\n0.769643 0.968263 0.081380 Si\n0.956728 0.624536 0.288025 Si\n0.230358 0.031737 0.918620 Si\n0.269643 0.531738 0.418620 Si\n0.043272 0.375464 0.711975 Si\n0.730358 0.468263 0.581380 Si\n0.543272 0.124536 0.788025 Si\n0.060560 0.632800 0.140035 O\n0.728122 0.296564 0.423796 O\n0.053200 0.198677 0.555734 O\n0.228122 0.203436 0.076204 O\n0.732466 0.042571 0.724583 O\n0.068111 0.497024 0.342017 O\n0.318040 0.363378 0.432438 O\n0.767534 0.542571 0.224583 O\n0.560560 0.867200 0.359965 O\n0.181960 0.863379 0.932438 O\n0.818040 0.136622 0.067562 O\n0.771879 0.796564 0.923796 O\n0.232466 0.457429 0.775417 O\n0.568111 0.002976 0.157983 O\n0.446800 0.698677 0.055734 O\n0.402896 0.535642 0.283270 O\n0.681960 0.636622 0.567562 O\n0.553200 0.301323 0.944266 O\n0.902896 0.964358 0.216730 O\n0.939441 0.367200 0.859965 O\n0.946800 0.801323 0.444266 O\n0.431889 -0.002976 0.842017 O\n0.271879 0.703436 0.576204 O\n0.931889 0.502976 0.657983 O\n0.439441 0.132800 0.640035 O\n0.267534 0.957429 0.275417 O\n0.097104 0.035642 0.783270 O\n0.597104 0.464358 0.716730 O\n",
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}