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{
"id": "jvasp-119428",
"created_at": "2022-09-04T14:38:52.794438Z",
"updated_at": "2022-09-04T14:38:52.794464Z",
"structure_string": "Zn8 I4 N4\n1.0\n6.312158 -0.000000 0.000000\n0.000000 6.419235 0.000000\n-0.000000 -0.000000 7.997911\nZn I N\n8 4 4\ndirect\n0.250000 0.651622 0.697014 Zn\n0.250000 0.151623 0.802986 Zn\n0.750000 0.348377 0.302986 Zn\n0.750000 0.848377 0.197014 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.250000 0.418429 0.381539 I\n0.250000 0.918429 0.118461 I\n0.750000 0.581570 0.618461 I\n0.750000 0.081571 0.881538 I\n0.250000 0.441552 0.873518 N\n0.250000 0.941552 0.626482 N\n0.750000 0.558447 0.126482 N\n0.750000 0.058447 0.373518 N\n",
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{
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"structure_string": "Na6 Si2 Sn2 B2 O14\n1.0\n0.000000 5.312196 0.025075\n6.732075 0.000000 0.000000\n0.000000 -0.213732 -9.063416\nNa Si Sn B O\n6 2 2 2 14\ndirect\n0.232558 0.750001 0.080950 Na\n0.746623 0.993223 0.248139 Na\n0.746623 0.506778 0.248139 Na\n0.253378 0.493222 0.751862 Na\n0.253378 0.006778 0.751862 Na\n0.767443 0.250000 0.919051 Na\n0.283744 0.750001 0.423884 Si\n0.716257 0.250000 0.576117 Si\n0.783571 0.750001 0.659816 Sn\n0.216430 0.250000 0.340185 Sn\n0.279573 0.250000 0.060070 B\n0.720428 0.750001 0.939931 B\n0.523512 0.750001 0.830009 O\n0.794293 0.058477 0.679888 O\n0.794293 0.441523 0.679888 O\n0.406545 0.250000 0.541440 O\n0.143225 0.750001 0.582204 O\n0.856776 0.250000 0.417797 O\n0.678574 0.750001 0.084944 O\n0.205708 0.558477 0.320113 O\n0.205708 0.941524 0.320113 O\n0.476489 0.250000 0.169992 O\n0.040414 0.250000 0.123705 O\n0.959587 0.750001 0.876296 O\n0.593456 0.750001 0.458561 O\n0.321427 0.250000 0.915057 O\n",
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{
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"updated_at": "2022-09-04T14:36:47.690473Z",
"structure_string": "Rb2 Li1 Tl1 Br6\n1.0\n6.677314 -0.000000 3.855149\n2.225771 6.295432 3.855149\n-0.000000 -0.000000 7.710298\nRb Li Tl Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.745836 0.254163 0.254164 Br\n0.254163 0.254163 0.745837 Br\n0.254163 0.745836 0.745837 Br\n0.254163 0.745836 0.254164 Br\n0.745836 0.254163 0.745837 Br\n0.745836 0.745836 0.254164 Br\n",
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{
"id": "jvasp-30674",
"created_at": "2022-09-04T14:38:31.295590Z",
"updated_at": "2022-09-04T14:38:31.295600Z",
"structure_string": "Zn2 Sn8 O12\n1.0\n3.121387 -0.000000 -0.000000\n-1.560693 6.197230 0.000000\n-0.000000 0.000000 16.757347\nZn Sn O\n2 8 12\ndirect\n0.660582 0.321162 0.750000 Zn\n0.339420 0.678838 0.250000 Zn\n0.872689 0.745378 0.041691 Sn\n0.411003 0.822001 0.665575 Sn\n0.127311 0.254621 0.958309 Sn\n0.588999 0.177999 0.334426 Sn\n0.872689 0.745378 0.458309 Sn\n0.127311 0.254621 0.541691 Sn\n0.588999 0.177999 0.165574 Sn\n0.411003 0.822001 0.834425 Sn\n0.839311 0.678621 0.604393 O\n0.160690 0.321380 0.395607 O\n0.160690 0.321380 0.104393 O\n0.839311 0.678621 0.895607 O\n0.044543 0.089086 0.658871 O\n0.500000 0.000000 0.500000 O\n0.955459 0.910914 0.158871 O\n0.044543 0.089086 0.841130 O\n0.500000 0.000000 0.000000 O\n0.252272 0.504544 0.750000 O\n0.955459 0.910914 0.341129 O\n0.747728 0.495455 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:41.208876Z",
"updated_at": "2022-09-04T14:37:41.208896Z",
"structure_string": "Si6 O12\n1.0\n5.285219 0.000000 -0.000000\n0.000000 7.461275 0.000000\n0.000000 0.000000 8.223411\nSi O\n6 12\ndirect\n0.250000 0.213679 0.104086 Si\n0.750000 0.786321 0.895914 Si\n0.750000 0.213679 0.895914 Si\n0.250000 0.786321 0.104086 Si\n0.250000 0.500000 0.387231 Si\n0.750000 0.500000 0.612769 Si\n0.250000 0.679502 0.275192 O\n0.750000 0.320498 0.724808 O\n0.750000 0.679502 0.724808 O\n0.250000 0.320498 0.275192 O\n0.750000 0.000000 0.857465 O\n0.000000 0.731812 0.000000 O\n0.500000 0.268189 0.000000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.731812 0.000000 O\n0.000000 0.268189 0.000000 O\n0.250000 0.000000 0.142535 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-44599",
"created_at": "2022-09-04T14:38:33.914847Z",
"updated_at": "2022-09-04T14:38:33.914878Z",
"structure_string": "Na6 Mn2 B2 S2 O14\n1.0\n0.000000 5.257519 0.014281\n6.840676 0.000000 0.000000\n0.000000 -0.089328 -9.017011\nNa Mn B S O\n6 2 2 2 14\ndirect\n0.250479 0.750000 0.064755 Na\n0.761943 0.008286 0.238111 Na\n0.761943 0.491714 0.238111 Na\n0.238056 0.508286 0.761889 Na\n0.238056 0.991715 0.761889 Na\n0.749521 0.250000 0.935245 Na\n0.242781 0.250000 0.337342 Mn\n0.757219 0.750000 0.662658 Mn\n0.732810 0.750000 0.938639 B\n0.267190 0.250000 0.061361 B\n0.289606 0.750000 0.417351 S\n0.710394 0.250000 0.582649 S\n0.519659 0.750000 0.842264 O\n0.786329 0.075403 0.670587 O\n0.786329 0.424597 0.670587 O\n0.427536 0.250000 0.558807 O\n0.163926 0.750000 0.563720 O\n0.836074 0.250000 0.436280 O\n0.710485 0.750000 0.088579 O\n0.213671 0.575403 0.329413 O\n0.213671 0.924598 0.329413 O\n0.480341 0.250000 0.157736 O\n0.034131 0.250000 0.134674 O\n0.965869 0.750000 0.865326 O\n0.572463 0.750000 0.441193 O\n0.289515 0.250000 0.911421 O\n",
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{
"id": "jvasp-50458",
"created_at": "2022-09-04T14:37:33.804864Z",
"updated_at": "2022-09-04T14:37:33.804884Z",
"structure_string": "Li4 V4 S10\n1.0\n4.947913 3.100704 -0.425542\n-4.947913 3.100704 0.425542\n-3.898726 0.000000 10.904935\nLi V S\n4 4 10\ndirect\n0.185675 0.565580 0.680848 Li\n0.434418 0.814324 0.180848 Li\n0.565580 0.185675 0.819153 Li\n0.814324 0.434418 0.319152 Li\n0.759476 0.940448 0.552864 V\n0.940447 0.759476 0.947136 V\n0.059551 0.240523 0.052864 V\n0.240523 0.059551 0.447136 V\n0.975273 0.806012 0.142611 S\n0.339200 0.339200 0.250000 S\n0.806012 0.975273 0.357389 S\n0.193987 0.024726 0.642611 S\n0.297471 0.703971 0.966285 S\n0.024726 0.193987 0.857390 S\n0.296028 0.702527 0.466285 S\n0.703971 0.297471 0.533716 S\n0.660798 0.660799 0.750000 S\n0.702527 0.296028 0.033715 S\n",
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"density_atomic": 0.05550095519531478,
"volume": 324.3187425631821,
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"formula_full": "Li4 V4 S10",
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{
"id": "jvasp-46728",
"created_at": "2022-09-04T14:36:13.317789Z",
"updated_at": "2022-09-04T14:36:13.317824Z",
"structure_string": "Li4 Mn3 Sb1 P4 O16\n1.0\n0.000000 4.741148 0.112594\n6.192952 0.000000 0.000000\n0.000000 -0.521391 -11.058572\nLi Mn Sb P O\n4 3 1 4 16\ndirect\n0.018137 0.256619 0.987636 Li\n0.018137 0.743380 0.987636 Li\n0.463791 0.759581 0.519720 Li\n0.463791 0.240419 0.519720 Li\n0.015566 0.000000 0.724391 Mn\n0.527797 0.000000 0.191286 Mn\n0.524086 0.500000 0.788514 Mn\n0.968914 0.500000 0.289736 Sb\n0.902980 0.000000 0.426285 P\n0.599700 0.000000 0.901783 P\n0.443454 0.500000 0.069954 P\n0.051025 0.500000 0.608986 P\n0.772539 0.806439 0.348666 O\n0.727506 0.500000 0.607239 O\n0.765254 0.500000 0.059256 O\n0.720933 0.198971 0.834595 O\n0.720933 0.801028 0.834595 O\n0.748924 0.000000 0.032050 O\n0.283331 0.500000 0.941210 O\n0.194148 0.299565 0.672991 O\n0.337444 0.291527 0.133344 O\n0.276385 0.000000 0.898396 O\n0.223947 0.000000 0.438321 O\n0.194148 0.700434 0.672991 O\n0.772539 0.193561 0.348666 O\n0.158836 0.500000 0.478391 O\n0.337444 0.708473 0.133344 O\n0.768314 0.000000 0.550306 O\n",
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{
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"created_at": "2022-09-04T14:37:42.590232Z",
"updated_at": "2022-09-04T14:37:42.590251Z",
"structure_string": "Li8 S4 O16\n1.0\n0.000000 8.162108 0.023173\n4.973058 0.000000 0.000000\n0.000000 -2.560210 -7.997971\nLi S O\n8 4 16\ndirect\n0.058235 0.921409 0.870341 Li\n0.441765 0.421409 0.129659 Li\n0.941765 0.078591 0.129660 Li\n0.558235 0.578591 0.870341 Li\n0.294008 0.927385 0.618540 Li\n0.205992 0.427385 0.381461 Li\n0.705992 0.072615 0.381461 Li\n0.794008 0.572615 0.618540 Li\n0.318305 0.932570 0.252185 S\n0.681696 0.067430 0.747816 S\n0.818305 0.567430 0.252185 S\n0.181695 0.432570 0.747815 S\n0.166829 0.984591 0.104208 O\n0.333171 0.484591 0.895793 O\n0.028382 0.562800 0.773249 O\n0.833171 0.015409 0.895793 O\n0.471618 0.062800 0.226751 O\n0.971618 0.437200 0.226751 O\n0.150598 0.139743 0.721647 O\n0.782078 0.448202 0.400381 O\n0.849402 0.860257 0.278353 O\n0.650598 0.360257 0.721647 O\n0.349402 0.639743 0.278353 O\n0.282078 0.051798 0.400381 O\n0.666829 0.515410 0.104208 O\n0.217922 0.551799 0.599619 O\n0.528382 0.937201 0.773249 O\n0.717922 0.948202 0.599619 O\n",
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{
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"updated_at": "2022-09-04T14:37:53.103297Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.293319 0.000010 -0.000045\n-1.646650 2.852095 -0.000003\n-0.000341 -0.000600 34.531296\nMo W Se S\n1 3 6 2\ndirect\n0.666679 0.333360 0.281341 Mo\n0.333220 0.666502 0.096342 W\n0.333371 0.666715 0.466411 W\n0.666724 0.333416 0.658826 W\n0.333424 0.666803 0.707858 Se\n0.666573 0.333209 0.047307 Se\n0.666684 0.333356 0.417333 Se\n0.666548 0.333148 0.145427 Se\n0.666720 0.333401 0.515495 Se\n0.333364 0.666701 0.609732 Se\n0.333384 0.666748 0.325796 S\n0.333308 0.666632 0.236881 S\n",
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{
"id": "jvasp-99522",
"created_at": "2022-09-04T14:36:06.248674Z",
"updated_at": "2022-09-04T14:36:06.248701Z",
"structure_string": "K2 Sc1 Tl1 Cl6\n1.0\n6.678943 -0.000000 3.856090\n2.226314 6.296968 3.856090\n-0.000000 -0.000000 7.712179\nK Sc Tl Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Tl\n0.773017 0.226983 0.226983 Cl\n0.226982 0.226983 0.773017 Cl\n0.226982 0.773018 0.773018 Cl\n0.226982 0.773018 0.226983 Cl\n0.773017 0.226983 0.773018 Cl\n0.773016 0.773018 0.226983 Cl\n",
"nsites": 10,
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"volume": 324.3518089584544,
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{
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"created_at": "2022-09-04T14:36:10.802497Z",
"updated_at": "2022-09-04T14:36:10.802514Z",
"structure_string": "Th1 As12 Os4\n1.0\n-4.328338 4.328338 4.328338\n4.328338 -4.328338 4.328338\n4.328338 4.328338 -4.328338\nTh As Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.505232 0.851003 0.654230 As\n0.803227 0.148997 0.654230 As\n0.196773 0.851003 0.345771 As\n0.654230 0.803227 0.148997 As\n0.654230 0.505232 0.851003 As\n0.148997 0.654230 0.803227 As\n0.345771 0.196773 0.851003 As\n0.851003 0.345771 0.196773 As\n0.148997 0.345771 0.494769 As\n0.851003 0.654230 0.505232 As\n0.345771 0.494769 0.148997 As\n0.494769 0.148997 0.345771 As\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n",
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]
}