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{
"id": "jvasp-23790",
"created_at": "2022-09-04T14:37:53.131855Z",
"updated_at": "2022-09-04T14:37:53.131881Z",
"structure_string": "Sc4 Fe2 B4 Ir10\n1.0\n9.287181 0.000000 0.000000\n0.000000 9.287181 0.000000\n0.000000 -0.000000 3.101706\nSc Fe B Ir\n4 2 4 10\ndirect\n0.176590 0.676590 0.000000 Sc\n0.823410 0.323410 0.000000 Sc\n0.323410 0.176590 0.000000 Sc\n0.676590 0.823410 0.000000 Sc\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.124449 0.375551 0.000000 B\n0.624449 0.124449 0.000000 B\n0.375551 0.875551 0.000000 B\n0.875551 0.624449 0.000000 B\n0.214563 0.928912 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n0.714563 0.571088 0.500001 Ir\n0.571088 0.285437 0.500001 Ir\n0.428912 0.714563 0.500001 Ir\n0.285437 0.428912 0.500001 Ir\n0.000000 0.500000 0.500001 Ir\n0.928912 0.785437 0.500001 Ir\n0.785437 0.071088 0.500001 Ir\n0.071088 0.214563 0.500001 Ir\n",
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{
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"updated_at": "2022-09-04T14:38:01.498108Z",
"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n-2.892173 3.455412 2.432031\n-1.462651 2.458810 -7.117027\n-2.925313 -3.411190 -2.400899\nLi Ti Ni O\n4 2 4 10\ndirect\n0.500016 0.603421 0.698280 Li\n-0.000004 0.404189 0.797904 Li\n0.499995 0.794588 0.102696 Li\n0.000003 0.197326 0.401339 Li\n0.500005 0.196450 0.901781 Ti\n0.000006 0.596065 0.201976 Ti\n0.499995 0.991066 0.504471 Ni\n-0.000001 0.001537 0.999237 Ni\n-0.000004 0.795991 0.602002 Ni\n0.499996 0.404737 0.297622 Ni\n0.746760 0.401975 0.051711 O\n0.763125 0.794855 0.853787 O\n0.233819 0.600461 0.965593 O\n0.734394 0.198960 0.659954 O\n0.766167 0.600463 0.433939 O\n0.236874 0.794854 0.351365 O\n0.257780 0.011063 0.754430 O\n0.253240 0.401977 0.546313 O\n0.742222 0.011062 0.234513 O\n0.265597 0.198962 0.141082 O\n",
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{
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"created_at": "2022-09-04T14:37:28.052751Z",
"updated_at": "2022-09-04T14:37:28.052778Z",
"structure_string": "Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n",
"nsites": 20,
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{
"id": "jvasp-120469",
"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
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{
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"created_at": "2022-09-04T14:36:11.228364Z",
"updated_at": "2022-09-04T14:36:11.228382Z",
"structure_string": "Mg4 Ge2 B4 Rh10\n1.0\n9.402870 -0.000000 0.000000\n0.000000 9.402870 -0.000000\n0.000000 -0.000000 2.932757\nMg Ge B Rh\n4 2 4 10\ndirect\n0.825620 0.325620 0.000000 Mg\n0.174380 0.674380 0.000000 Mg\n0.325620 0.174380 0.000000 Mg\n0.674380 0.825620 0.000000 Mg\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.125131 0.374869 0.000000 B\n0.874869 0.625131 0.000000 B\n0.625131 0.125131 0.000000 B\n0.374869 0.874869 0.000000 B\n0.500000 0.000000 0.500001 Rh\n0.072863 0.213247 0.500001 Rh\n0.927137 0.786753 0.500001 Rh\n0.213247 0.927137 0.500001 Rh\n0.786753 0.072863 0.500001 Rh\n0.572863 0.286753 0.500001 Rh\n0.427137 0.713247 0.500001 Rh\n0.713247 0.572863 0.500001 Rh\n0.286753 0.427137 0.500001 Rh\n0.000000 0.500000 0.500001 Rh\n",
"nsites": 20,
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"formula_full": "Mg4 Ge2 B4 Rh10",
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{
"id": "jvasp-98377",
"created_at": "2022-09-04T14:36:14.832808Z",
"updated_at": "2022-09-04T14:36:14.832826Z",
"structure_string": "Mg4 Ge2 B4 Rh10\n1.0\n2.929302 0.000000 0.000000\n-0.000000 9.392835 0.000000\n0.000000 0.000000 9.392835\nMg Ge B Rh\n4 2 4 10\ndirect\n0.000000 0.674429 0.174429 Mg\n0.000000 0.825570 0.674429 Mg\n0.000000 0.174429 0.325571 Mg\n0.000000 0.325571 0.825570 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.874856 0.374856 B\n0.000000 0.625143 0.874856 B\n0.000000 0.374856 0.125144 B\n0.000000 0.125144 0.625143 B\n0.500000 0.213034 0.072888 Rh\n0.500000 0.427112 0.286966 Rh\n0.500000 0.572887 0.713034 Rh\n0.500000 0.286966 0.572887 Rh\n0.500000 0.713034 0.427112 Rh\n0.500000 0.786966 0.927112 Rh\n0.500000 0.072888 0.786966 Rh\n0.500000 0.927112 0.213034 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 20,
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},
{
"id": "jvasp-111628",
"created_at": "2022-09-04T14:38:41.826894Z",
"updated_at": "2022-09-04T14:38:41.826916Z",
"structure_string": "Mg4 B4 As2 Ir10\n1.0\n9.487380 -0.000000 0.000000\n-0.000000 9.487380 -0.000000\n0.000000 -0.000000 2.991542\nMg B As Ir\n4 4 2 10\ndirect\n0.825117 0.325117 0.000000 Mg\n0.174883 0.674883 0.000000 Mg\n0.325117 0.174883 0.000000 Mg\n0.674883 0.825117 0.000000 Mg\n0.625219 0.125219 0.000000 B\n0.374781 0.874781 0.000000 B\n0.125219 0.374781 0.000000 B\n0.874781 0.625219 0.000000 B\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.073378 0.215830 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.715830 0.573378 0.500000 Ir\n0.284170 0.426622 0.500000 Ir\n0.215830 0.926622 0.500000 Ir\n0.784170 0.073378 0.500000 Ir\n0.426622 0.715830 0.500000 Ir\n0.573378 0.284170 0.500000 Ir\n0.926622 0.784170 0.500000 Ir\n",
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{
"id": "jvasp-55719",
"created_at": "2022-09-04T14:38:08.188679Z",
"updated_at": "2022-09-04T14:38:08.188707Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.584224 0.020164\n4.977108 0.000000 0.000000\n0.000000 -2.508775 -8.043456\nLi H Se O\n4 4 2 10\ndirect\n0.560117 0.410474 0.898090 Li\n0.682387 0.900957 0.503941 Li\n0.439883 0.910475 0.101911 Li\n0.317614 0.400957 0.496060 Li\n0.994778 0.774211 0.045570 H\n0.041797 0.015429 0.180415 H\n0.005223 0.274210 0.954431 H\n0.958204 0.515430 0.819586 H\n0.721401 0.401759 0.293531 Se\n0.278599 0.901759 0.706470 Se\n0.313051 0.236305 0.709264 O\n0.381833 0.776358 0.554850 O\n0.618167 0.276358 0.445151 O\n0.909169 0.440097 0.913846 O\n0.545036 0.281218 0.110651 O\n0.982126 0.811035 0.677928 O\n0.017875 0.311035 0.322073 O\n0.454965 0.781218 0.889350 O\n0.090831 0.940097 0.086155 O\n0.686950 0.736305 0.290737 O\n",
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{
"id": "jvasp-25021",
"created_at": "2022-09-04T14:37:45.987809Z",
"updated_at": "2022-09-04T14:37:45.987835Z",
"structure_string": "K10 Au2 I4 O4\n1.0\n5.493246 0.000000 0.000000\n0.000000 7.191259 -0.000000\n0.000000 0.000000 14.029784\nK Au I O\n10 2 4 4\ndirect\n0.500000 0.330247 0.601457 K\n0.000000 0.097263 0.761042 K\n0.000000 0.402737 0.261042 K\n0.000000 0.902737 0.238958 K\n0.500000 0.830247 0.898543 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.597264 0.738958 K\n0.500000 0.169753 0.101457 K\n0.500000 0.669753 0.398543 K\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.652706 0.145157 I\n0.500000 0.347294 0.854842 I\n0.500000 0.152706 0.354843 I\n0.500000 0.847295 0.645157 I\n0.000000 0.183860 0.110929 O\n0.000000 0.683860 0.389071 O\n0.000000 0.816140 0.889070 O\n0.000000 0.316140 0.610929 O\n",
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},
{
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"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
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{
"id": "jvasp-52411",
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"updated_at": "2022-09-04T14:37:00.497107Z",
"structure_string": "Na2 Mg1 H4 S2 O8\n1.0\n5.195710 0.030838 0.004627\n-1.688401 5.632968 -0.137524\n-2.501563 -2.316526 6.671637\nNa Mg H S O\n2 1 4 2 8\ndirect\n0.344372 0.005807 0.675771 Na\n0.655629 -0.005807 0.324230 Na\n0.500001 0.500000 0.500001 Mg\n0.270217 0.236827 0.101067 H\n0.729785 0.763173 0.898934 H\n0.143774 0.043872 0.201771 H\n0.856228 0.956129 0.798230 H\n0.077357 0.400828 0.744228 S\n0.922645 0.599172 0.255774 S\n0.320401 0.195587 0.228330 O\n0.264478 0.699349 0.358176 O\n0.735524 0.300652 0.641826 O\n0.857894 0.778851 0.139629 O\n0.142108 0.221149 0.860372 O\n0.843058 0.684464 0.434605 O\n0.156944 0.315536 0.565397 O\n0.679601 0.804414 0.771671 O\n",
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{
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"created_at": "2022-09-04T14:37:15.075692Z",
"updated_at": "2022-09-04T14:37:15.075731Z",
"structure_string": "Sr4 Mg1 Co2 S2 O6\n1.0\n3.809871 0.000000 0.000000\n0.000000 3.809914 0.000000\n0.000000 0.000000 16.306835\nSr Mg Co S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.192460 Sr\n0.500000 0.000000 0.807540 Sr\n0.000000 0.500000 0.416120 Sr\n0.500000 0.000000 0.583876 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.310154 Co\n0.000000 0.500000 0.689849 Co\n0.500000 0.000000 0.096766 S\n0.000000 0.500000 0.903237 S\n0.000000 0.000000 0.295419 O\n0.500000 0.500000 0.294404 O\n0.500000 0.500000 0.705582 O\n0.000000 0.000000 0.704591 O\n0.500000 0.000000 0.432335 O\n0.000000 0.500000 0.567667 O\n",
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}