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{
"id": "jvasp-49208",
"created_at": "2022-09-04T14:37:05.761901Z",
"updated_at": "2022-09-04T14:37:05.761918Z",
"structure_string": "Er8 Te12\n1.0\n7.326579 0.002714 -1.362649\n-2.772575 6.781710 -1.362649\n-0.002172 -0.003237 13.600515\nEr Te\n8 12\ndirect\n0.792200 0.042199 0.084401 Er\n0.207801 0.957799 0.915599 Er\n0.042201 0.792200 0.584401 Er\n0.125228 0.375227 0.750457 Er\n0.624773 0.874771 0.749544 Er\n0.874773 0.624772 0.249544 Er\n0.375228 0.125227 0.250456 Er\n0.957800 0.207799 0.415599 Er\n0.871536 0.621535 0.750000 Te\n0.378464 0.128464 0.750000 Te\n0.540626 0.292575 0.083378 Te\n0.957248 0.209196 0.916623 Te\n0.292575 0.540625 0.583378 Te\n0.790803 0.042751 0.583378 Te\n0.459375 0.707424 0.916623 Te\n0.042753 0.790802 0.083378 Te\n0.707425 0.459374 0.416622 Te\n0.209198 0.957247 0.416622 Te\n0.621536 0.871535 0.250000 Te\n0.128465 0.378464 0.250000 Te\n",
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{
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"updated_at": "2022-09-04T14:36:21.337679Z",
"structure_string": "Na12 Fe4 C8 S2 O32\n1.0\n8.530676 -0.000000 4.925188\n2.843559 8.042798 4.925188\n-0.000000 -0.000000 9.850376\nNa Fe C S O\n12 4 8 2 32\ndirect\n0.908945 0.908945 0.341055 Na\n0.908945 0.341055 0.908945 Na\n0.908945 0.341055 0.341055 Na\n0.341055 0.341055 0.908945 Na\n0.341055 0.908945 0.341055 Na\n0.341055 0.908945 0.908945 Na\n0.658945 0.091055 0.091055 Na\n0.091055 0.658945 0.091055 Na\n0.091055 0.091055 0.658945 Na\n0.658945 0.658945 0.091055 Na\n0.658945 0.091055 0.658945 Na\n0.091055 0.658945 0.658945 Na\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.280545 0.280545 0.658364 C\n0.280545 0.280545 0.280545 C\n0.719455 0.719455 0.341636 C\n0.719455 0.341636 0.719455 C\n0.341636 0.719455 0.719455 C\n0.719455 0.719455 0.719455 C\n0.280545 0.658364 0.280545 C\n0.658364 0.280545 0.280545 C\n0.875000 0.875000 0.875000 S\n0.125000 0.125000 0.125000 S\n0.861701 0.339788 0.601333 O\n0.138299 0.660212 0.398667 O\n0.660212 0.138299 0.302822 O\n0.302822 0.398667 0.660212 O\n0.339789 0.697178 0.601333 O\n0.861701 0.601333 0.697178 O\n0.697178 0.861701 0.601333 O\n0.339789 0.601333 0.861701 O\n0.138299 0.302822 0.660212 O\n0.601333 0.697178 0.861701 O\n0.697178 0.339788 0.861701 O\n0.660212 0.302822 0.398667 O\n0.660212 0.398667 0.138299 O\n0.861701 0.697178 0.339789 O\n0.310499 0.063167 0.063167 O\n0.601333 0.861701 0.339789 O\n0.339789 0.861701 0.697178 O\n0.697178 0.601333 0.339789 O\n0.601333 0.339788 0.697178 O\n0.936833 0.936833 0.936833 O\n0.689502 0.936833 0.936833 O\n0.398667 0.138299 0.660212 O\n0.936833 0.936833 0.689502 O\n0.398667 0.660212 0.302822 O\n0.936833 0.689502 0.936833 O\n0.063167 0.310498 0.063167 O\n0.063167 0.063167 0.310499 O\n0.398667 0.302822 0.138299 O\n0.138299 0.398667 0.302822 O\n0.302822 0.138299 0.398667 O\n0.302823 0.660212 0.138299 O\n0.063167 0.063167 0.063167 O\n",
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{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
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"elements": [
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"Si",
"O"
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"density_atomic": 0.062136038752758624,
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"formula_full": "K6 U6 Si4 O26",
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{
"id": "jvasp-98802",
"created_at": "2022-09-04T14:35:54.243597Z",
"updated_at": "2022-09-04T14:35:54.243628Z",
"structure_string": "K8 Cr4 S4 O28\n1.0\n7.300568 0.000000 0.000000\n0.000000 7.334285 0.149349\n0.000000 0.265582 12.640072\nK Cr S O\n8 4 4 28\ndirect\n0.128656 0.132850 0.148250 K\n0.331530 0.850301 0.356471 K\n0.628656 0.367150 0.351750 K\n0.168470 0.350301 0.856471 K\n0.668470 0.149699 0.643529 K\n0.831530 0.649700 0.143529 K\n0.871344 0.867150 0.851750 K\n0.371344 0.632851 0.648250 K\n0.165809 0.352322 0.407002 Cr\n0.834191 0.647678 0.592998 Cr\n0.665809 0.147678 0.092998 Cr\n0.334191 0.852323 0.907002 Cr\n0.688028 0.381856 0.887274 S\n0.188028 0.118144 0.612726 S\n0.811972 0.881856 0.387274 S\n0.311972 0.618145 0.112726 S\n0.200437 0.011898 0.949145 O\n0.799564 -0.011899 0.050855 O\n0.927465 0.778062 0.480376 O\n0.045161 0.048729 0.684319 O\n0.999516 0.437666 0.336403 O\n0.295992 0.976731 0.562779 O\n0.210956 0.715395 0.838234 O\n0.195036 0.756732 0.159216 O\n0.000484 0.562335 0.663597 O\n0.572536 0.278061 0.980376 O\n0.499516 0.062334 0.163597 O\n0.795992 0.523270 0.937221 O\n0.804965 0.243268 0.840784 O\n0.289044 0.215395 0.338235 O\n0.545161 0.451271 0.815681 O\n0.204008 0.476731 0.062779 O\n0.072536 0.221939 0.519624 O\n0.500484 0.937666 0.836402 O\n0.700437 0.488102 0.550855 O\n0.954839 0.951271 0.315681 O\n0.304965 0.256732 0.659216 O\n0.299563 0.511899 0.449145 O\n0.695036 0.743269 0.340784 O\n0.427464 0.721939 0.019624 O\n0.454839 0.548730 0.184319 O\n0.789044 0.284605 0.161765 O\n0.704008 0.023270 0.437221 O\n0.710956 0.784605 0.661765 O\n",
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{
"id": "jvasp-58986",
"created_at": "2022-09-04T14:37:01.454677Z",
"updated_at": "2022-09-04T14:37:01.454702Z",
"structure_string": "Na8 Pd4 Cl16\n1.0\n9.542743 -0.000000 0.000000\n0.000000 9.542743 -0.000000\n-0.000000 0.000000 7.430865\nNa Pd Cl\n8 4 16\ndirect\n0.306811 0.693189 0.250000 Na\n0.193189 0.193189 0.250000 Na\n0.806811 0.806811 0.250000 Na\n0.693189 0.306811 0.250000 Na\n0.193189 0.806811 0.750000 Na\n0.306811 0.306811 0.750000 Na\n0.693189 0.693189 0.750000 Na\n0.806811 0.193189 0.750000 Na\n0.000000 0.500000 0.434682 Pd\n0.000000 0.500000 0.934682 Pd\n0.500000 0.000000 0.565317 Pd\n0.500000 0.000000 0.065318 Pd\n0.238731 0.554578 0.930094 Cl\n0.945421 0.738731 0.930094 Cl\n0.238731 0.445421 0.430094 Cl\n0.054579 0.261269 0.930094 Cl\n0.054579 0.738731 0.430094 Cl\n0.945421 0.261269 0.430094 Cl\n0.445421 0.238731 0.069906 Cl\n0.261269 0.054579 0.569905 Cl\n0.261269 0.945421 0.069906 Cl\n0.554578 0.761269 0.069906 Cl\n0.738731 0.054579 0.069906 Cl\n0.738731 0.945421 0.569905 Cl\n0.761269 0.445421 0.930094 Cl\n0.445421 0.761269 0.569905 Cl\n0.761269 0.554578 0.430094 Cl\n0.554578 0.238731 0.569905 Cl\n",
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{
"id": "jvasp-13397",
"created_at": "2022-09-04T14:37:06.404902Z",
"updated_at": "2022-09-04T14:37:06.404928Z",
"structure_string": "K4 In4 Br12\n1.0\n4.253700 -7.367624 0.000000\n4.253700 7.367624 0.000000\n0.000000 -0.000000 10.796545\nK In Br\n4 4 12\ndirect\n0.333333 0.666667 0.130003 K\n0.666667 0.333333 0.869998 K\n0.000000 0.000000 0.739282 K\n0.000000 0.000000 0.260718 K\n0.333333 0.666667 0.759123 In\n0.666667 0.333333 0.240877 In\n0.333333 0.666667 0.504026 In\n0.666667 0.333333 0.495975 In\n0.914493 0.612202 0.624428 Br\n0.612202 0.697708 0.375572 Br\n0.302292 0.914493 0.375572 Br\n0.085507 0.387798 0.375572 Br\n0.906122 0.620671 0.117012 Br\n0.620671 0.714549 0.882989 Br\n0.714549 0.093878 0.117012 Br\n0.093877 0.379329 0.882989 Br\n0.697708 0.085507 0.624428 Br\n0.285451 0.906122 0.882989 Br\n0.379329 0.285451 0.117012 Br\n0.387798 0.302291 0.624428 Br\n",
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},
{
"id": "jvasp-58881",
"created_at": "2022-09-04T14:36:57.649284Z",
"updated_at": "2022-09-04T14:36:57.649304Z",
"structure_string": "K4 In4 Br12\n1.0\n4.254016 -7.368170 0.000000\n4.254015 7.368170 -0.000000\n0.000000 -0.000000 10.796943\nK In Br\n4 4 12\ndirect\n0.333334 0.666668 0.130010 K\n0.666668 0.333334 0.869989 K\n0.000000 0.000000 0.739240 K\n0.000000 0.000000 0.260760 K\n0.333334 0.666668 0.759086 In\n0.666668 0.333334 0.240913 In\n0.333334 0.666668 0.503991 In\n0.666668 0.333334 0.496008 In\n0.914502 0.612146 0.624477 Br\n0.612146 0.697645 0.375523 Br\n0.302357 0.914502 0.375523 Br\n0.085499 0.387855 0.375523 Br\n0.906110 0.620648 0.117049 Br\n0.620648 0.714539 0.882951 Br\n0.714539 0.093891 0.117049 Br\n0.093891 0.379353 0.882951 Br\n0.697644 0.085499 0.624477 Br\n0.285462 0.906110 0.882951 Br\n0.379353 0.285462 0.117049 Br\n0.387855 0.302356 0.624477 Br\n",
"nsites": 20,
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"formula_full": "K4 In4 Br12",
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"spacegroup": 147
},
{
"id": "jvasp-97779",
"created_at": "2022-09-04T14:35:47.138879Z",
"updated_at": "2022-09-04T14:35:47.138897Z",
"structure_string": "La4 Cd4 B20 O40\n1.0\n7.949549 0.000000 0.000000\n0.000000 8.790536 -0.230401\n0.000000 -0.005337 9.690457\nLa Cd B O\n4 4 20 40\ndirect\n0.675533 0.310584 0.265645 La\n0.324468 0.689416 0.734355 La\n0.824468 0.810584 0.765645 La\n0.175533 0.189416 0.234355 La\n0.908635 0.891808 0.374444 Cd\n0.408635 0.608193 0.125556 Cd\n0.091365 0.108192 0.625556 Cd\n0.591365 0.391807 0.874445 Cd\n0.031068 0.782031 0.057196 B\n0.531068 0.717969 0.442805 B\n0.968932 0.217969 0.942805 B\n0.468932 0.282031 0.557196 B\n0.825663 0.018112 0.099905 B\n0.325663 0.481888 0.400095 B\n0.422362 0.082901 0.744949 B\n0.674337 0.518112 0.599905 B\n0.174337 0.981889 0.900095 B\n0.602513 0.851639 0.997115 B\n0.675107 0.067564 0.591945 B\n0.175106 0.432436 0.908055 B\n0.324894 0.932436 0.408055 B\n0.102513 0.648362 0.502885 B\n0.397487 0.148361 0.002885 B\n0.922363 0.417099 0.755051 B\n0.577638 0.917099 0.255051 B\n0.077638 0.582901 0.244949 B\n0.824894 0.567565 0.091945 B\n0.897487 0.351639 0.497115 B\n0.879992 0.686414 0.014441 O\n0.470398 0.580622 0.362462 O\n0.970398 0.919378 0.137539 O\n0.612189 0.674414 0.576383 O\n0.112189 0.825586 0.923618 O\n0.387811 0.325586 0.423617 O\n0.620008 0.186414 0.514441 O\n0.270072 0.041744 0.019284 O\n0.229928 0.541744 0.519284 O\n0.729929 0.958256 0.980716 O\n0.029602 0.080622 0.862462 O\n0.120008 0.313586 0.985559 O\n0.379992 0.813586 0.485559 O\n0.887811 0.174414 0.076383 O\n0.770072 0.458256 0.480716 O\n0.529603 0.419378 0.637539 O\n0.859501 0.308435 0.856094 O\n0.640500 0.808435 0.356094 O\n0.787244 0.529845 0.725802 O\n0.330980 0.499952 0.922642 O\n0.830980 0.000048 0.577358 O\n0.669020 0.500048 0.077358 O\n0.169020 -0.000048 0.422642 O\n0.554653 0.763201 0.887100 O\n0.054653 0.736799 0.612901 O\n0.445347 0.236799 0.112901 O\n0.287244 0.970155 0.774199 O\n0.140500 0.691565 0.143906 O\n0.945347 0.263201 0.387099 O\n0.212756 0.470155 0.274199 O\n0.467075 0.166286 0.874742 O\n0.532925 0.833714 0.125259 O\n0.032925 0.666287 0.374741 O\n0.576185 0.006489 0.694172 O\n0.076185 0.493511 0.805829 O\n0.423815 0.993511 0.305828 O\n0.923815 0.506490 0.194172 O\n0.359501 0.191565 0.643906 O\n0.712756 0.029845 0.225801 O\n0.967075 0.333713 0.625259 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "B-Cd-La-O",
"density": 4.564649203534633,
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"volume": 677.1670800755387,
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"formula_full": "La4 Cd4 B20 O40",
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{
"id": "jvasp-29264",
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