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{
"id": "mp-16302",
"created_at": "2022-09-04T14:44:19.824697Z",
"structure_string": "Tb24 O44\n1.0\n6.711527 0.000000 0.000000\n2.090193 11.834197 0.000000\n1.896506 3.189252 12.225507\nTb O\n24 44\ndirect\n0.726607 0.070589 0.478915 Tb\n0.273393 0.929411 0.521085 Tb\n0.194125 0.251565 0.466112 Tb\n0.805875 0.748435 0.533888 Tb\n0.659882 0.411372 0.404512 Tb\n0.340118 0.588628 0.595488 Tb\n0.104720 0.579270 0.346437 Tb\n0.895280 0.420730 0.653563 Tb\n0.569846 0.729189 0.299982 Tb\n0.430154 0.270811 0.700018 Tb\n0.056112 0.908593 0.276987 Tb\n0.943888 0.091407 0.723013 Tb\n0.226735 0.080524 0.006018 Tb\n0.773265 0.919476 0.993982 Tb\n0.657482 0.242870 0.959705 Tb\n0.342518 0.757130 0.040295 Tb\n0.128760 0.397181 0.911143 Tb\n0.871240 0.602819 0.088857 Tb\n0.581743 0.564893 0.858722 Tb\n0.418257 0.435107 0.141278 Tb\n0.087356 0.764512 0.803118 Tb\n0.912644 0.235488 0.196882 Tb\n0.510315 0.920600 0.761650 Tb\n0.489685 0.079400 0.238350 Tb\n0.569393 0.063871 0.061697 O\n0.430607 0.936129 0.938303 O\n0.018814 0.093531 0.540014 O\n0.981186 0.906469 0.459986 O\n0.742339 0.422141 0.210813 O\n0.257661 0.577859 0.789187 O\n0.409948 0.747005 0.847615 O\n0.590052 0.252995 0.152385 O\n0.087845 0.754908 0.623347 O\n0.912155 0.245092 0.376653 O\n0.814898 0.404185 0.839309 O\n0.185102 0.595815 0.160691 O\n0.820415 0.909344 0.813484 O\n0.179585 0.090656 0.186516 O\n0.596116 0.903165 0.584719 O\n0.403884 0.096835 0.415281 O\n0.620966 0.098954 0.672386 O\n0.912525 0.591519 0.896010 O\n0.741986 0.255413 0.771991 O\n0.258014 0.744587 0.228009 O\n0.417646 0.577769 0.409873 O\n0.582354 0.422231 0.590127 O\n0.959006 0.077087 0.905493 O\n0.040994 0.922913 0.094507 O\n0.351233 0.231841 0.884738 O\n0.648767 0.768159 0.115262 O\n0.131745 0.247325 0.648054 O\n0.868255 0.752675 0.351946 O\n0.032724 0.578814 0.533406 O\n0.967276 0.421186 0.466594 O\n0.800148 0.567206 0.278781 O\n0.199852 0.432794 0.721219 O\n0.566494 0.588342 0.033415 O\n0.433506 0.411658 0.966585 O\n0.202527 0.944219 0.702686 O\n0.797473 0.055781 0.297314 O\n0.523259 0.246029 0.515532 O\n0.476741 0.753971 0.484468 O\n0.971115 0.240258 0.016144 O\n0.028885 0.759742 0.983856 O\n0.646971 0.600305 0.666614 O\n0.353029 0.399695 0.333386 O\n0.379034 0.901046 0.327614 O\n0.087475 0.408481 0.103990 O\n",
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"density": 7.726553278742322,
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"volume": 971.0174058658856,
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"formula_full": "Tb24 O44",
"formula_reduced": "Tb6O11",
"formula_anonymous": "A6B11",
"energy": -561.6249288299998,
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"updated_at": "2021-11-28T01:36:33.974000Z",
"spacegroup": 2
},
{
"id": "mp-1197692",
"created_at": "2022-09-04T14:45:19.570017Z",
"structure_string": "Tb24 Ga16\n1.0\n-5.836755 5.836755 7.506022\n5.836755 -5.836755 7.506022\n5.836755 5.836755 -7.506022\nTb Ga\n24 16\ndirect\n0.147228 0.647228 0.500000 Tb\n0.647228 0.147228 0.500000 Tb\n0.852772 0.352772 0.500000 Tb\n0.352772 0.852772 0.500000 Tb\n0.668342 0.168342 0.836685 Tb\n0.331658 0.831658 0.163315 Tb\n0.168342 0.331658 0.500000 Tb\n0.831658 0.668342 0.500000 Tb\n0.066861 0.931347 0.270393 Tb\n0.660954 0.796468 0.729607 Tb\n0.566861 0.296468 0.135514 Tb\n0.160954 0.431347 0.864486 Tb\n0.796468 0.066861 0.135514 Tb\n0.931347 0.660954 0.864486 Tb\n0.431347 0.566861 0.270393 Tb\n0.296468 0.160954 0.729607 Tb\n0.933139 0.068653 0.729607 Tb\n0.339046 0.203532 0.270393 Tb\n0.433139 0.703532 0.864486 Tb\n0.839046 0.568653 0.135514 Tb\n0.203532 0.933139 0.864486 Tb\n0.068653 0.339046 0.135514 Tb\n0.568653 0.433139 0.729607 Tb\n0.703532 0.839046 0.270393 Tb\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.116373 0.616373 0.732747 Ga\n0.883627 0.383627 0.267253 Ga\n0.616373 0.883627 0.500000 Ga\n0.383627 0.116373 0.500000 Ga\n0.878842 0.378842 0.855930 Ga\n0.522912 0.022912 0.144070 Ga\n0.378842 0.522912 0.500000 Ga\n0.022912 0.878842 0.500000 Ga\n0.121158 0.621158 0.144070 Ga\n0.477088 0.977088 0.855930 Ga\n0.621158 0.477088 0.500000 Ga\n0.977088 0.121158 0.500000 Ga\n",
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"elements": [
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"formula_full": "Tb24 Ga16",
"formula_reduced": "Tb3Ga2",
"formula_anonymous": "A2B3",
"energy": -180.96585237,
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"updated_at": "2021-11-28T01:37:02.290000Z",
"spacegroup": 140
},
{
"id": "mp-1217870",
"created_at": "2022-09-04T14:39:10.570404Z",
"structure_string": "Tb24 Fe3 Co1 Bi8\n1.0\n0.000000 0.000000 -4.184068\n-4.187356 -7.285415 0.000000\n-25.311378 14.520102 0.000000\nTb Fe Co Bi\n24 3 1 8\ndirect\n0.000000 0.372249 0.191599 Tb\n0.000000 0.871719 0.441713 Tb\n0.000000 0.371629 0.691762 Tb\n0.000000 0.872683 0.942356 Tb\n0.500000 0.098031 0.250491 Tb\n0.500000 0.597761 0.500422 Tb\n0.500000 0.097540 0.750315 Tb\n0.500000 0.597514 0.000050 Tb\n0.500000 0.687139 0.152941 Tb\n0.500000 0.187130 0.402882 Tb\n0.500000 0.687099 0.652732 Tb\n0.500000 0.186222 0.902327 Tb\n0.500000 0.193008 0.102010 Tb\n0.500000 0.690669 0.350794 Tb\n0.500000 0.190447 0.600613 Tb\n0.500000 0.689604 0.850450 Tb\n0.000000 0.215054 0.001405 Tb\n0.000000 0.713620 0.251086 Tb\n0.000000 0.214535 0.501029 Tb\n0.000000 0.714087 0.751174 Tb\n0.000000 0.875742 0.058207 Tb\n0.000000 0.374724 0.308245 Tb\n0.000000 0.874447 0.558333 Tb\n0.000000 0.374385 0.808274 Tb\n0.500000 0.478609 0.248760 Fe\n0.500000 0.980087 0.498351 Fe\n0.500000 0.479540 0.748811 Fe\n0.500000 0.980984 0.997248 Co\n0.000000 0.987656 0.167618 Bi\n0.000000 0.487672 0.417341 Bi\n0.000000 0.988275 0.667520 Bi\n0.000000 0.487778 0.917341 Bi\n0.000000 0.492669 0.083561 Bi\n0.000000 0.991055 0.333453 Bi\n0.000000 0.491132 0.583536 Bi\n0.000000 0.990064 0.833586 Bi\n",
"nsites": 36,
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"elements": [
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"Co",
"Bi"
],
"chemical_system": "Bi-Co-Fe-Tb",
"density": 9.245901007949639,
"density_atomic": 0.035089317783572896,
"volume": 1025.953260819834,
"volume_molar": 17.162319305105648,
"formula_full": "Tb24 Fe3 Co1 Bi8",
"formula_reduced": "Tb24Fe3CoBi8",
"formula_anonymous": "AB3C8D24",
"energy": -190.16051623,
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"updated_at": "2021-11-28T01:34:29.447000Z",
"spacegroup": 6
},
{
"id": "mp-30967",
"created_at": "2022-09-04T14:44:28.776858Z",
"structure_string": "Tb24 Co14\n1.0\n11.303598 0.000000 0.000000\n0.000000 8.318907 0.000000\n0.000000 6.430913 9.023400\nTb Co\n24 14\ndirect\n0.705600 0.233864 0.539213 Tb\n0.205600 0.766136 0.960787 Tb\n0.840425 0.502021 0.658437 Tb\n0.340425 0.497979 0.841563 Tb\n0.159575 0.497979 0.341563 Tb\n0.659575 0.502021 0.158437 Tb\n0.003555 0.841888 0.353528 Tb\n0.503555 0.158112 0.146472 Tb\n0.996445 0.158112 0.646472 Tb\n0.496445 0.841888 0.853528 Tb\n0.794400 0.233864 0.039213 Tb\n0.294400 0.766136 0.460787 Tb\n0.928514 0.767853 0.085623 Tb\n0.428514 0.232147 0.414377 Tb\n0.071486 0.232147 0.914377 Tb\n0.571486 0.767853 0.585623 Tb\n0.300831 0.248614 0.676385 Tb\n0.800831 0.751386 0.823615 Tb\n0.699169 0.751386 0.323615 Tb\n0.199169 0.248614 0.176385 Tb\n0.930334 0.262122 0.308734 Tb\n0.430334 0.737878 0.191266 Tb\n0.069666 0.737878 0.691266 Tb\n0.569666 0.262122 0.808734 Tb\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.678390 0.906023 0.027662 Co\n0.178390 0.093977 0.472338 Co\n0.321610 0.093977 0.972338 Co\n0.821610 0.906023 0.527662 Co\n0.400331 0.495590 0.099730 Co\n0.900331 0.504410 0.400270 Co\n0.599669 0.504410 0.900270 Co\n0.099669 0.495590 0.599730 Co\n0.810798 0.098885 0.841086 Co\n0.310798 0.901115 0.658914 Co\n0.189202 0.901115 0.158914 Co\n0.689202 0.098885 0.341086 Co\n",
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"elements": [
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"density": 9.079163902835027,
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"volume": 848.5026105308146,
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"formula_full": "Tb24 Co14",
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"updated_at": "2021-11-28T01:36:44.942000Z",
"spacegroup": 14
},
{
"id": "mp-530870",
"created_at": "2022-09-04T14:45:15.615844Z",
"structure_string": "Tb24 Cd4 S40\n1.0\n7.233160 0.000000 0.000000\n-2.341746 6.879551 0.000000\n-2.525998 -3.283653 29.641747\nTb Cd S\n24 4 40\ndirect\n0.824000 0.195146 0.025574 Tb\n0.992191 0.632340 0.126834 Tb\n0.431937 0.794070 0.226977 Tb\n0.462713 0.608925 0.070983 Tb\n0.605091 0.241029 0.327759 Tb\n0.029425 0.382076 0.434931 Tb\n0.406624 0.265296 0.171081 Tb\n0.062161 0.198379 0.271571 Tb\n0.189106 0.835610 0.527602 Tb\n0.632611 0.007417 0.625253 Tb\n0.014191 0.879719 0.375416 Tb\n0.420934 0.672475 0.349954 Tb\n0.672742 0.799700 0.474392 Tb\n0.804254 0.430857 0.724441 Tb\n0.223209 0.595973 0.825936 Tb\n0.604796 0.454575 0.570514 Tb\n0.268496 0.398931 0.669940 Tb\n0.404159 0.018111 0.921860 Tb\n0.186946 0.076700 0.779706 Tb\n0.627701 0.874041 0.753711 Tb\n0.080143 0.823622 0.649228 Tb\n0.805277 0.680975 0.970279 Tb\n0.214087 0.453365 0.947422 Tb\n0.680289 0.428665 0.851970 Tb\n0.830798 0.081405 0.149095 Cd\n0.275837 0.030535 0.050921 Cd\n0.874773 0.625995 0.249090 Cd\n0.475351 0.231614 0.452785 Cd\n0.173070 0.311095 0.099441 S\n0.672541 0.304154 0.100974 S\n0.762671 0.899068 0.301692 S\n0.652841 0.643187 0.175519 S\n0.278999 0.917974 0.302029 S\n0.103412 0.973539 0.198421 S\n0.073442 0.570794 0.025836 S\n0.840276 0.857585 0.075047 S\n0.367748 0.499510 0.499647 S\n0.254998 0.265035 0.372610 S\n0.368211 0.879443 0.125060 S\n0.859137 0.516909 0.500416 S\n0.709360 0.575629 0.396162 S\n0.440340 0.448824 0.273048 S\n0.680128 0.166136 0.225418 S\n0.966809 0.099163 0.699905 S\n0.103840 0.477895 0.201287 S\n0.984759 0.490636 0.322724 S\n0.846972 0.838314 0.574124 S\n0.467509 0.101690 0.702017 S\n0.306257 0.150364 0.601095 S\n0.274285 0.753400 0.426115 S\n0.544379 0.694734 0.899574 S\n0.047315 0.040438 0.468017 S\n0.685810 0.067681 0.401226 S\n0.571401 0.073065 0.526330 S\n0.060196 0.689508 0.900580 S\n0.455121 0.453875 0.772512 S\n0.900384 0.744256 0.798415 S\n0.888944 0.394741 0.631967 S\n0.652545 0.663945 0.674681 S\n0.314274 0.672879 0.601860 S\n0.191101 0.683351 0.727196 S\n0.074570 0.059652 0.977637 S\n0.513581 0.381294 0.998586 S\n0.468537 0.977051 0.827004 S\n0.265838 0.258044 0.869773 S\n0.898136 0.262529 0.797850 S\n0.784734 0.285955 0.929319 S\n0.495686 0.864113 0.998660 S\n",
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"elements": [
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"Cd",
"S"
],
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"density": 6.244137026776066,
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"volume": 1474.9998040950475,
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"formula_full": "Tb24 Cd4 S40",
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"energy": -426.85681153,
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{
"id": "mp-1208605",
"created_at": "2022-09-04T14:39:26.420826Z",
"structure_string": "Tb24 Al14 Si2\n1.0\n-5.859720 5.859720 7.671761\n5.859720 -5.859720 7.671761\n5.859720 5.859720 -7.671761\nTb Al Si\n24 14 2\ndirect\n0.147966 0.647966 0.500000 Tb\n0.852034 0.352034 0.500000 Tb\n0.647966 0.147966 0.500000 Tb\n0.352034 0.852034 0.500000 Tb\n0.836183 0.700836 0.264251 Tb\n0.163817 0.299164 0.735749 Tb\n0.436585 0.571932 0.735749 Tb\n0.700836 0.436585 0.864653 Tb\n0.063415 0.799164 0.135347 Tb\n0.563415 0.428068 0.264251 Tb\n0.299164 0.563415 0.135347 Tb\n0.936585 0.200836 0.864653 Tb\n0.571932 0.836183 0.135347 Tb\n0.663817 0.928068 0.864653 Tb\n0.428068 0.163817 0.864653 Tb\n0.336183 0.071932 0.135347 Tb\n0.928068 0.063415 0.264251 Tb\n0.071932 0.936585 0.735749 Tb\n0.799164 0.663817 0.735749 Tb\n0.200836 0.336183 0.264251 Tb\n0.170084 0.670084 0.840168 Tb\n0.829916 0.329916 0.159832 Tb\n0.670084 0.829916 0.500000 Tb\n0.329916 0.170084 0.500000 Tb\n0.617658 0.117658 0.735316 Al\n0.382342 0.882342 0.264684 Al\n0.117658 0.382342 0.500000 Al\n0.882342 0.617658 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.382341 0.882341 0.856997 Al\n0.617659 0.117659 0.143003 Al\n0.025345 0.525345 0.143003 Al\n0.882341 0.025345 0.500000 Al\n0.474655 0.617659 0.500000 Al\n0.974655 0.474655 0.856997 Al\n0.117659 0.974655 0.500000 Al\n0.525345 0.382341 0.500000 Al\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
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"elements": [
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"formula_full": "Tb24 Al14 Si2",
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"updated_at": "2021-11-28T01:34:38.478000Z",
"spacegroup": 140
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{
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}