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{
"id": "jvasp-56188",
"created_at": "2022-09-04T14:37:13.350333Z",
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"structure_string": "Tb4 Mg3 Co2\n1.0\n0.000000 7.469745 -0.016974\n3.689144 0.000000 0.000000\n0.000000 -2.745876 -7.668782\nTb Mg Co\n4 3 2\ndirect\n0.602166 0.500000 0.824335 Tb\n0.397834 0.500000 0.175664 Tb\n0.096344 0.500000 0.725210 Tb\n0.903656 0.500000 0.274789 Tb\n0.705919 0.000000 0.498491 Mg\n0.000000 0.000000 0.000000 Mg\n0.294080 0.000000 0.501508 Mg\n0.651880 0.000000 0.109606 Co\n0.348120 0.000000 0.890393 Co\n",
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{
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{
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"created_at": "2022-09-04T14:37:04.768822Z",
"updated_at": "2022-09-04T14:37:04.768846Z",
"structure_string": "Tb4 Mn2 Ni2 O12\n1.0\n0.000000 5.226265 -0.008477\n5.646660 0.000000 0.000000\n0.000000 -5.166352 -7.405094\nTb Mn Ni O\n4 2 2 12\ndirect\n0.770596 0.576666 0.250199 Tb\n0.770596 0.923334 0.750199 Tb\n0.229404 0.076666 0.249801 Tb\n0.229403 0.423334 0.749801 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.354458 0.030310 0.752231 O\n0.150388 0.185195 0.950593 O\n0.736888 0.203778 0.551411 O\n0.150388 0.314805 0.450593 O\n0.354458 0.469690 0.252231 O\n0.645542 0.969690 0.247769 O\n0.645542 0.530310 0.747769 O\n0.263111 0.796222 0.448589 O\n0.849611 0.685195 0.549406 O\n0.263111 0.703779 0.948588 O\n0.736888 0.296222 0.051412 O\n0.849611 0.814805 0.049407 O\n",
"nsites": 20,
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],
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"density": 8.007170363695478,
"density_atomic": 0.09141662252089984,
"volume": 218.7785924318913,
"volume_molar": 6.5875773944976,
"formula_full": "Tb4 Mn2 Ni2 O12",
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"spacegroup": 14
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{
"id": "jvasp-62694",
"created_at": "2022-09-04T14:36:14.136238Z",
"updated_at": "2022-09-04T14:36:14.136258Z",
"structure_string": "Tb4 Mn4 B16\n1.0\n3.440373 0.000000 0.000000\n0.000000 5.913978 -0.000000\n0.000000 0.000000 11.434781\nTb Mn B\n4 4 16\ndirect\n0.000000 0.125394 0.849463 Tb\n0.000000 0.874607 0.150537 Tb\n0.000000 0.374606 0.349463 Tb\n0.000000 0.625394 0.650537 Tb\n0.000000 0.126805 0.583394 Mn\n0.000000 0.873195 0.416606 Mn\n0.000000 0.373195 0.083394 Mn\n0.000000 0.626805 0.916606 Mn\n0.500000 0.525062 0.190428 B\n0.500000 0.474938 0.809572 B\n0.500000 0.888107 0.546115 B\n0.500000 0.111894 0.453885 B\n0.500000 0.611894 0.046115 B\n0.500000 0.388107 0.953885 B\n0.500000 0.861053 0.967781 B\n0.500000 0.780087 0.816665 B\n0.500000 0.638947 0.467782 B\n0.500000 0.361053 0.532218 B\n0.500000 0.025062 0.309572 B\n0.500000 0.219913 0.183334 B\n0.500000 0.719913 0.316666 B\n0.500000 0.280087 0.683334 B\n0.500000 0.138947 0.032218 B\n0.500000 0.974938 0.690428 B\n",
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"volume": 232.65537298587319,
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"formula_full": "Tb4 Mn4 B16",
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"spacegroup": 55
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{
"id": "jvasp-59705",
"created_at": "2022-09-04T14:38:33.784550Z",
"updated_at": "2022-09-04T14:38:33.784570Z",
"structure_string": "Tb4 Mn4 Ge4\n1.0\n4.133028 0.000000 0.000000\n-0.000000 7.095945 0.000000\n0.000000 0.000000 7.830024\nTb Mn Ge\n4 4 4\ndirect\n0.250000 0.518160 0.184213 Tb\n0.750000 0.481841 0.815787 Tb\n0.250000 0.018160 0.315787 Tb\n0.750000 0.981841 0.684213 Tb\n0.750000 0.366377 0.443704 Mn\n0.250000 0.133624 0.943704 Mn\n0.750000 0.866377 0.056296 Mn\n0.250000 0.633624 0.556295 Mn\n0.250000 0.277244 0.615151 Ge\n0.750000 0.222756 0.115151 Ge\n0.250000 0.777244 0.884848 Ge\n0.750000 0.722757 0.384849 Ge\n",
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"volume": 229.63690314427674,
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"formula_full": "Tb4 Mn4 Ge4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-98484",
"created_at": "2022-09-04T14:36:01.755751Z",
"updated_at": "2022-09-04T14:36:01.755775Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.286690 -0.000000 0.000000\n-0.000000 5.647393 0.000000\n0.000000 0.000000 7.587418\nTb Mn O\n4 4 12\ndirect\n0.981541 0.072210 0.250001 Tb\n0.518458 0.572210 0.250001 Tb\n0.018457 0.927789 0.750001 Tb\n0.481541 0.427789 0.750001 Tb\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.395210 0.967506 0.250001 O\n0.895211 0.532494 0.750001 O\n0.696910 0.306513 0.446672 O\n0.696910 0.306513 0.053328 O\n0.196910 0.193487 0.946672 O\n0.803091 0.806513 0.446672 O\n0.303090 0.693486 0.553328 O\n0.303090 0.693486 0.946672 O\n0.803091 0.806513 0.053328 O\n0.196910 0.193487 0.553328 O\n0.104790 0.467506 0.250001 O\n0.604790 0.032494 0.750001 O\n",
"nsites": 20,
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"density": 7.678122395671563,
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"formula_full": "Tb4 Mn4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-117407",
"created_at": "2022-09-04T14:38:26.496975Z",
"updated_at": "2022-09-04T14:38:26.496999Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.287070 -0.000000 0.000000\n0.000000 5.647264 0.000000\n-0.000000 -0.000000 7.587292\nTb Mn O\n4 4 12\ndirect\n0.518449 0.572173 0.250000 Tb\n0.981551 0.072173 0.250000 Tb\n0.481551 0.427827 0.750000 Tb\n0.018449 0.927826 0.750000 Tb\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.303098 0.693500 0.553326 O\n0.196902 0.193500 0.946673 O\n0.303098 0.693500 0.946673 O\n0.196902 0.193500 0.553326 O\n0.696902 0.306499 0.446674 O\n0.104784 0.467521 0.250000 O\n0.895216 0.532479 0.750000 O\n0.604784 0.032479 0.750000 O\n0.803098 0.806499 0.446674 O\n0.395216 0.967520 0.250000 O\n0.803098 0.806499 0.053326 O\n0.696902 0.306499 0.053326 O\n",
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"volume": 226.53741972443606,
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"formula_full": "Tb4 Mn4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-46291",
"created_at": "2022-09-04T14:38:05.787407Z",
"updated_at": "2022-09-04T14:38:05.787432Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n-0.000000 4.992667 4.992667\n4.992667 0.000000 4.992667\n4.992667 4.992667 0.000000\nTb Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.922358 0.327643 0.922358 O\n0.625000 0.625000 0.625000 O\n0.327643 0.327643 0.922358 O\n0.922358 0.922358 0.327643 O\n0.327643 0.922358 0.327643 O\n0.077643 0.672357 0.077643 O\n0.077643 0.077643 0.672357 O\n0.375000 0.375000 0.375000 O\n0.672357 0.672357 0.077643 O\n0.077643 0.672357 0.672357 O\n0.922358 0.327643 0.327643 O\n0.672357 0.077643 0.077643 O\n0.672357 0.077643 0.672357 O\n0.327643 0.922358 0.922358 O\n",
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],
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"density": 7.2014822013386715,
"density_atomic": 0.08838832086552398,
"volume": 248.9016623980368,
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"formula_full": "Tb4 Mn4 O14",
"formula_reduced": "Tb2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.84656961661442,
"spacegroup": 227
},
{
"id": "jvasp-14014",
"created_at": "2022-09-04T14:35:40.820748Z",
"updated_at": "2022-09-04T14:35:40.820769Z",
"structure_string": "Tb4 Mn4 Si4\n1.0\n4.157436 -0.000000 0.000000\n-0.000000 7.038494 0.000000\n0.000000 0.000000 7.411178\nTb Mn Si\n4 4 4\ndirect\n0.250000 0.501487 0.186388 Tb\n0.750001 0.498513 0.813613 Tb\n0.250000 0.001487 0.313612 Tb\n0.750001 0.998512 0.686388 Tb\n0.750001 0.860885 0.060272 Mn\n0.250000 0.139114 0.939728 Mn\n0.750001 0.360886 0.439728 Mn\n0.250000 0.639114 0.560272 Mn\n0.250000 0.792634 0.891915 Si\n0.750001 0.207365 0.108085 Si\n0.250000 0.292635 0.608086 Si\n0.750001 0.707365 0.391915 Si\n",
"nsites": 12,
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],
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"volume": 216.86654534972155,
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"formula_full": "Tb4 Mn4 Si4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-112981",
"created_at": "2022-09-04T14:38:45.649547Z",
"updated_at": "2022-09-04T14:38:45.649576Z",
"structure_string": "Tb4 Mo4 Br4 O16\n1.0\n6.573063 -0.040206 -2.042257\n-0.991786 6.903335 -1.882414\n-0.019414 0.086997 10.922930\nTb Mo Br O\n4 4 4 16\ndirect\n0.646117 0.124813 0.732702 Tb\n0.353882 0.875188 0.267298 Tb\n0.389295 0.655682 0.766986 Tb\n0.610704 0.344318 0.233014 Tb\n0.732353 0.811620 0.132740 Mo\n0.267647 0.188381 0.867260 Mo\n0.776875 0.598946 0.627888 Mo\n0.223125 0.401055 0.372112 Mo\n0.814467 0.290705 0.022659 Br\n0.185533 0.709296 0.977341 Br\n0.743128 0.014865 0.481515 Br\n0.256872 0.985136 0.518485 Br\n0.328932 0.486550 0.548283 O\n0.671067 0.513451 0.451717 O\n0.275760 0.582235 0.299045 O\n0.724239 0.417766 0.700955 O\n0.956673 0.340394 0.330523 O\n0.043326 0.659606 0.669477 O\n0.600948 0.014457 0.176110 O\n0.329599 0.274319 0.041580 O\n0.377827 0.351993 0.797469 O\n0.622173 0.648007 0.202531 O\n-0.000099 0.130803 0.793496 O\n0.000099 0.869199 0.206505 O\n0.655906 0.796285 0.701531 O\n0.670401 0.725682 0.958420 O\n0.399051 0.985544 0.823890 O\n0.344093 0.203716 0.298469 O\n",
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"volume": 496.1813908954275,
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"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-111673",
"created_at": "2022-09-04T14:38:40.878886Z",
"updated_at": "2022-09-04T14:38:40.878907Z",
"structure_string": "Tb4 Mo4 C8\n1.0\n3.409430 -0.000000 0.000000\n-0.000000 5.727858 0.000000\n0.000000 0.000000 10.813026\nTb Mo C\n4 4 8\ndirect\n0.250000 0.087690 0.862550 Tb\n0.250000 0.587690 0.637450 Tb\n0.750000 0.912311 0.137450 Tb\n0.750000 0.412311 0.362550 Tb\n0.250000 0.402053 0.110036 Mo\n0.250000 0.902053 0.389965 Mo\n0.750000 0.597947 0.889965 Mo\n0.750000 0.097947 0.610036 Mo\n0.250000 0.158027 0.247417 C\n0.250000 0.658027 0.252583 C\n0.750000 0.841974 0.752583 C\n0.750000 0.341974 0.747418 C\n0.250000 0.720865 0.982575 C\n0.250000 0.220865 0.517426 C\n0.750000 0.279136 0.017426 C\n0.750000 0.779136 0.482574 C\n",
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{
"id": "jvasp-59586",
"created_at": "2022-09-04T14:37:57.856340Z",
"updated_at": "2022-09-04T14:37:57.856367Z",
"structure_string": "Tb4 Mo4 O14\n1.0\n6.326584 -0.000000 3.652655\n2.108862 5.964760 3.652655\n-0.000000 0.000000 7.305310\nTb Mo O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 -0.000000 Mo\n-0.000000 0.500000 -0.000000 Mo\n0.086664 0.663336 0.086664 O\n0.663336 0.086664 0.663336 O\n0.663336 0.086664 0.086664 O\n0.624999 0.625000 0.625000 O\n0.913335 0.336664 0.336664 O\n0.336664 0.913336 0.336663 O\n0.336664 0.336664 0.913336 O\n0.913335 0.913336 0.336663 O\n0.913335 0.336664 0.913336 O\n0.086664 0.663336 0.663336 O\n0.336664 0.913336 0.913335 O\n0.375000 0.375000 0.375000 O\n0.663335 0.663336 0.086663 O\n0.086664 0.086664 0.663336 O\n",
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}
]
}