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{
"id": "jvasp-54952",
"created_at": "2022-09-04T14:38:11.614896Z",
"updated_at": "2022-09-04T14:38:11.614918Z",
"structure_string": "Dy16 Cd4 Co4\n1.0\n8.146270 -0.000000 4.703252\n2.715423 7.680377 4.703252\n-0.000000 -0.000000 9.406502\nDy Cd Co\n16 4 4\ndirect\n0.346646 0.346647 0.346646 Dy\n0.188410 0.811590 0.811589 Dy\n0.346646 0.960062 0.346646 Dy\n0.188410 0.188410 0.811589 Dy\n0.562243 0.937757 0.562243 Dy\n0.811590 0.188410 0.188410 Dy\n0.937756 0.562244 0.937756 Dy\n0.937756 0.937757 0.562243 Dy\n0.937756 0.562244 0.562243 Dy\n0.562243 0.937757 0.937756 Dy\n0.346646 0.346647 0.960061 Dy\n0.960061 0.346647 0.346646 Dy\n0.562243 0.562244 0.937756 Dy\n0.811589 0.811590 0.188410 Dy\n0.811590 0.188410 0.811589 Dy\n0.188410 0.811590 0.188410 Dy\n0.581089 0.581089 0.581089 Cd\n0.581089 0.256733 0.581089 Cd\n0.581089 0.581089 0.256733 Cd\n0.256733 0.581089 0.581089 Cd\n0.577192 0.140936 0.140936 Co\n0.140936 0.140936 0.577192 Co\n0.140936 0.140936 0.140936 Co\n0.140935 0.577192 0.140936 Co\n",
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{
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"created_at": "2022-09-04T14:37:52.852363Z",
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"structure_string": "Y1 Mg16 Al12\n1.0\n7.466256 -4.310645 3.048085\n0.000000 8.621288 3.048085\n-7.466256 -4.310645 3.048085\nY Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.395894 0.395896 0.715284 Mg\n0.680611 0.284719 0.680611 Mg\n0.643261 0.643261 0.643261 Mg\n0.319390 0.000001 0.604108 Mg\n0.000000 0.319391 0.604109 Mg\n0.395895 0.715285 0.395895 Mg\n0.715284 0.395896 0.395894 Mg\n0.284718 0.680612 0.680611 Mg\n0.000000 0.604108 0.319391 Mg\n0.604108 0.000001 0.319390 Mg\n0.680611 0.680612 0.284718 Mg\n0.319391 0.604108 0.000000 Mg\n0.356740 0.000000 0.000000 Mg\n0.000000 0.356740 0.000000 Mg\n0.604109 0.319391 0.000000 Mg\n0.000000 0.000000 0.356740 Mg\n0.000000 0.631210 0.812575 Al\n0.000000 0.812575 0.631209 Al\n0.812575 0.000001 0.631209 Al\n0.181365 0.368793 0.368793 Al\n0.368793 0.181366 0.368793 Al\n0.631209 0.812575 0.000000 Al\n0.818635 0.187428 0.187426 Al\n0.368793 0.368793 0.181365 Al\n0.812575 0.631210 0.000000 Al\n0.631209 0.000001 0.812575 Al\n0.187426 0.818635 0.187426 Al\n0.187426 0.187428 0.818635 Al\n",
"nsites": 29,
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},
{
"id": "jvasp-121334",
"created_at": "2022-09-04T14:38:53.883938Z",
"updated_at": "2022-09-04T14:38:53.883961Z",
"structure_string": "Er16 Mg4 Co4\n1.0\n8.146871 -0.000000 4.703598\n2.715624 7.680944 4.703598\n-0.000000 -0.000000 9.407197\nEr Mg Co\n16 4 4\ndirect\n0.593977 0.593977 0.593978 Er\n0.186689 0.186689 0.813311 Er\n0.813311 0.813311 0.186690 Er\n0.186689 0.813311 0.186690 Er\n0.813311 0.186689 0.813312 Er\n0.186689 0.813311 0.813312 Er\n0.063544 0.063544 0.436456 Er\n0.436456 0.436456 0.063544 Er\n0.813311 0.186689 0.186689 Er\n0.436456 0.063544 0.436456 Er\n0.436456 0.063544 0.063544 Er\n0.063544 0.436456 0.436456 Er\n0.218069 0.593977 0.593978 Er\n0.593977 0.218069 0.593977 Er\n0.593977 0.593977 0.218070 Er\n0.063544 0.436456 0.063544 Er\n0.829507 0.829507 0.829508 Mg\n0.829507 0.829507 0.511479 Mg\n0.829507 0.511478 0.829508 Mg\n0.511478 0.829507 0.829508 Mg\n0.390501 0.828498 0.390502 Co\n0.390501 0.390501 0.390501 Co\n0.390501 0.390501 0.828499 Co\n0.828498 0.390501 0.390501 Co\n",
"nsites": 24,
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"elements": [
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],
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"density": 8.4882776370869,
"density_atomic": 0.04077045558487834,
"volume": 588.6615603309947,
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"formula_full": "Er16 Mg4 Co4",
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"spacegroup": 216
},
{
"id": "jvasp-55190",
"created_at": "2022-09-04T14:37:00.628380Z",
"updated_at": "2022-09-04T14:37:00.628415Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n0.000000 7.562748 0.073669\n8.011846 0.000000 0.000000\n0.000000 -3.399544 -9.748732\nRb Fe I\n4 2 8\ndirect\n0.800957 0.258051 0.962630 Rb\n0.702613 0.258302 0.412254 Rb\n0.297387 0.758302 0.587746 Rb\n0.199044 0.758051 0.037369 Rb\n0.198215 0.255085 0.785792 Fe\n0.801786 0.755085 0.214208 Fe\n0.367730 0.252757 0.055059 I\n0.417845 0.254163 0.637728 I\n0.973375 0.512612 0.720982 I\n0.632271 0.752757 0.944940 I\n0.030800 0.500331 0.280418 I\n0.582155 0.754164 0.362272 I\n0.026626 0.012612 0.279017 I\n0.969201 0.000331 0.719582 I\n",
"nsites": 14,
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],
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"density_atomic": 0.023781838790333788,
"volume": 588.6845051565293,
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"formula_full": "Rb4 Fe2 I8",
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"spacegroup": 11
},
{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
"nsites": 14,
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],
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"density": 4.141279156114396,
"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
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"formula_full": "Rb4 Fe2 I8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 11
},
{
"id": "jvasp-86179",
"created_at": "2022-09-04T14:36:20.184572Z",
"updated_at": "2022-09-04T14:36:20.184582Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.108478 0.000000 -2.587085\n0.000000 8.012385 0.000000\n0.039114 0.000000 10.326381\nRb Fe I\n4 2 8\ndirect\n0.198949 0.744541 0.037342 Rb\n0.297531 0.744596 0.587804 Rb\n0.702468 0.244596 0.412196 Rb\n0.801050 0.244541 0.962658 Rb\n0.801817 0.743867 0.214277 Fe\n0.198183 0.243867 0.785723 Fe\n0.632296 0.743586 0.945056 I\n0.582124 0.743757 0.362247 I\n0.029149 0.488053 0.279924 I\n0.367704 0.243586 0.054944 I\n0.971721 0.500298 0.720372 I\n0.417875 0.243757 0.637753 I\n0.970851 0.988053 0.720076 I\n0.028279 0.000298 0.279629 I\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.1411981043940775,
"density_atomic": 0.023770766159302584,
"volume": 588.958719553983,
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"formula_full": "Rb4 Fe2 I8",
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},
{
"id": "jvasp-59000",
"created_at": "2022-09-04T14:38:35.919953Z",
"updated_at": "2022-09-04T14:38:35.919971Z",
"structure_string": "Na6 Sc2 Br12\n1.0\n3.614188 -6.259956 0.000000\n3.614188 6.259956 0.000000\n-0.000000 0.000000 13.023071\nNa Sc Br\n6 2 12\ndirect\n0.666667 0.333333 0.536278 Na\n0.666667 0.333333 0.963722 Na\n0.333333 0.666667 0.463722 Na\n0.333333 0.666667 0.036278 Na\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n0.638041 0.956633 0.870786 Br\n0.043367 0.361959 0.629214 Br\n0.638041 0.681409 0.629214 Br\n0.318592 0.956633 0.629214 Br\n0.681409 0.638041 0.129214 Br\n0.956633 0.638041 0.370786 Br\n0.681409 0.043367 0.370786 Br\n0.361959 0.318592 0.370786 Br\n0.043367 0.681409 0.870786 Br\n0.361959 0.043367 0.129214 Br\n0.956633 0.318592 0.129214 Br\n0.318592 0.361959 0.870786 Br\n",
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"volume": 589.285051211707,
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},
{
"id": "jvasp-81528",
"created_at": "2022-09-04T14:37:13.626800Z",
"updated_at": "2022-09-04T14:37:13.626824Z",
"structure_string": "Mn1 Cu1 Rh2\n1.0\n-7.714816 0.000000 -4.454151\n-8.073973 0.154525 5.076229\n-5.335773 7.899321 0.333529\nMn Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Cu\n0.772678 0.000000 -0.000000 Rh\n0.227322 0.000000 -0.000000 Rh\n",
"nsites": 4,
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},
{
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"created_at": "2022-09-04T14:38:36.099844Z",
"updated_at": "2022-09-04T14:38:36.099878Z",
"structure_string": "Te12 Mo8 S4\n1.0\n-1.909133 -2.902216 -0.000411\n-0.000459 -0.001565 14.238257\n-8.050114 9.453689 0.001756\nTe Mo S\n12 8 4\ndirect\n0.644338 0.389532 0.644326 Te\n0.105648 0.889516 0.605646 Te\n0.917516 0.111439 0.417520 Te\n0.583250 0.875436 0.083249 Te\n0.407660 0.380934 0.907668 Te\n0.395433 0.124308 0.895429 Te\n0.592090 0.618296 0.092098 Te\n0.342325 0.880925 0.342309 Te\n0.166735 0.375441 0.166725 Te\n0.157927 0.118300 0.157928 Te\n0.354575 0.624294 0.354591 Te\n0.832508 0.611430 0.832510 Te\n0.332657 0.243657 0.332648 Mo\n0.677896 0.751945 0.677909 Mo\n0.813087 0.256303 0.813089 Mo\n0.936910 0.756287 0.436908 Mo\n0.072105 0.251960 0.572090 Mo\n0.417345 0.743650 0.917351 Mo\n0.574398 0.248025 0.074395 Mo\n0.175605 0.748020 0.175608 Mo\n0.906102 0.347459 0.406077 S\n0.095613 0.652690 0.595630 S\n0.654398 0.152709 0.654388 S\n0.843887 0.847450 0.843900 S\n",
"nsites": 24,
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],
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"spacegroup": 31
},
{
"id": "jvasp-116537",
"created_at": "2022-09-04T14:38:42.703818Z",
"updated_at": "2022-09-04T14:38:42.703832Z",
"structure_string": "Er14 Te4 Au4\n1.0\n8.930016 0.008684 2.225525\n8.040275 3.885775 2.225525\n-0.003912 -0.000898 17.030755\nEr Te Au\n14 4 4\ndirect\n0.001351 0.001350 0.666345 Er\n0.000000 0.000000 0.000000 Er\n0.500001 0.499999 0.500000 Er\n0.221431 0.221429 0.194037 Er\n0.425256 0.425253 0.171775 Er\n0.574747 0.574744 0.828226 Er\n0.662378 0.662375 0.018441 Er\n0.778572 0.778568 0.805964 Er\n0.810224 0.810220 0.319666 Er\n0.189779 0.189777 0.680335 Er\n0.823969 0.823965 0.531425 Er\n0.176034 0.176032 0.468575 Er\n0.998652 0.998647 0.333656 Er\n0.337625 0.337622 0.981560 Er\n0.066129 0.066129 0.150368 Te\n0.933874 0.933868 0.849633 Te\n0.365629 0.365627 0.662741 Te\n0.634373 0.634370 0.337260 Te\n0.381604 0.381602 0.399929 Au\n0.169911 0.169909 0.889359 Au\n0.830092 0.830088 0.110642 Au\n0.618399 0.618395 0.600072 Au\n",
"nsites": 22,
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],
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"density": 10.247606070735866,
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"volume": 589.8141752124908,
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"formula_full": "Er14 Te4 Au4",
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},
{
"id": "jvasp-120560",
"created_at": "2022-09-04T14:38:51.211918Z",
"updated_at": "2022-09-04T14:38:51.211938Z",
"structure_string": "Ba10 Sn4 N12\n1.0\n6.634779 0.042261 -0.849663\n-4.016894 6.054356 0.000000\n-0.089552 -0.059415 14.638233\nBa Sn N\n10 4 12\ndirect\n0.096004 0.772775 0.991991 Ba\n0.903997 0.676772 0.508009 Ba\n0.903997 0.227225 0.008009 Ba\n0.096003 0.323228 0.491991 Ba\n0.315426 0.069282 0.713211 Ba\n0.684575 0.753857 0.786789 Ba\n0.684575 0.930718 0.286789 Ba\n0.315426 0.246143 0.213211 Ba\n0.000000 0.375269 0.750000 Ba\n0.000001 0.624731 0.250000 Ba\n0.558092 0.664795 0.074944 Sn\n0.441909 0.106703 0.425056 Sn\n0.558092 0.893297 0.574944 Sn\n0.441909 0.335204 0.925056 Sn\n0.392219 0.779308 0.432765 N\n0.902922 0.973946 0.624326 N\n0.097079 0.071025 0.875674 N\n0.097079 0.026053 0.375674 N\n0.902922 0.928975 0.124326 N\n0.288462 0.693719 0.653635 N\n0.711539 0.405257 0.846365 N\n0.711539 0.306281 0.346365 N\n0.288462 0.594742 0.153635 N\n0.607782 0.220692 0.567235 N\n0.392218 0.612909 0.932765 N\n0.607782 0.387090 0.067235 N\n",
"nsites": 26,
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],
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"volume": 589.8292812235082,
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{
"id": "jvasp-88169",
"created_at": "2022-09-04T14:36:07.044580Z",
"updated_at": "2022-09-04T14:36:07.044596Z",
"structure_string": "Ca8 Cd4 Sb8\n1.0\n4.623669 -0.000000 0.000000\n-0.000000 7.254246 0.000000\n0.000000 0.000000 17.588269\nCa Cd Sb\n8 4 8\ndirect\n0.750000 0.277438 0.945863 Ca\n0.250000 0.222562 0.445863 Ca\n0.250000 0.037314 0.227324 Ca\n0.750000 0.462686 0.727324 Ca\n0.750000 0.777438 0.554137 Ca\n0.250000 0.722563 0.054137 Ca\n0.750000 0.962686 0.772676 Ca\n0.250000 0.537314 0.272676 Ca\n0.250000 0.637747 0.850024 Cd\n0.750000 0.862254 0.350024 Cd\n0.750000 0.362254 0.149976 Cd\n0.250000 0.137746 0.649976 Cd\n0.750000 0.757927 0.182950 Sb\n0.250000 0.242074 0.817050 Sb\n0.250000 0.742074 0.682951 Sb\n0.750000 0.262962 0.569054 Sb\n0.750000 0.257926 0.317050 Sb\n0.250000 0.737039 0.430946 Sb\n0.750000 0.762962 0.930946 Sb\n0.250000 0.237038 0.069054 Sb\n",
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],
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"volume": 589.9322171382213,
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"formula_full": "Ca8 Cd4 Sb8",
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"spacegroup": 62
}
]
}