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{
"id": "mp-570266",
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"structure_string": "Sm52 Ga12 Co22\n1.0\n11.656641 0.000000 0.000000\n0.000000 11.656641 0.000000\n0.000000 0.000000 15.240401\nSm Ga Co\n52 12 22\ndirect\n0.920420 0.794987 0.311262 Sm\n0.205013 0.920420 0.311262 Sm\n0.657597 0.157597 0.000000 Sm\n0.927628 0.201086 0.884896 Sm\n0.342403 0.842403 0.000000 Sm\n0.572372 0.701086 0.884896 Sm\n0.579580 0.294987 0.688738 Sm\n0.427628 0.298914 0.884896 Sm\n0.296035 0.583718 0.500000 Sm\n0.416282 0.296035 0.500000 Sm\n0.205013 0.920420 0.688738 Sm\n0.583718 0.703965 0.500000 Sm\n0.500000 0.000000 0.157055 Sm\n0.420420 0.705013 0.311262 Sm\n0.500000 0.000000 0.842945 Sm\n0.000000 0.500000 0.383944 Sm\n0.083718 0.796035 0.500000 Sm\n0.794987 0.079580 0.311262 Sm\n0.294987 0.420420 0.688738 Sm\n0.842403 0.657597 0.000000 Sm\n0.079580 0.205013 0.688738 Sm\n0.000000 0.500000 0.157055 Sm\n0.701086 0.427628 0.115104 Sm\n0.000000 0.500000 0.616056 Sm\n0.072372 0.798914 0.115104 Sm\n0.916282 0.203965 0.500000 Sm\n0.705013 0.579580 0.311262 Sm\n0.427628 0.298914 0.115104 Sm\n0.201086 0.072372 0.115104 Sm\n0.705013 0.579580 0.688738 Sm\n0.927628 0.201086 0.115104 Sm\n0.796035 0.916282 0.500000 Sm\n0.579580 0.294987 0.311262 Sm\n0.201086 0.072372 0.884896 Sm\n0.703965 0.416282 0.500000 Sm\n0.072372 0.798914 0.884896 Sm\n0.000000 0.500000 0.842945 Sm\n0.798914 0.927628 0.884896 Sm\n0.572372 0.701086 0.115104 Sm\n0.500000 0.000000 0.383944 Sm\n0.298914 0.572372 0.115104 Sm\n0.079580 0.205013 0.311262 Sm\n0.294987 0.420420 0.311262 Sm\n0.794987 0.079580 0.688738 Sm\n0.920420 0.794987 0.688738 Sm\n0.701086 0.427628 0.884896 Sm\n0.157597 0.342403 0.000000 Sm\n0.203965 0.083718 0.500000 Sm\n0.500000 0.000000 0.616056 Sm\n0.420420 0.705013 0.688738 Sm\n0.298914 0.572372 0.884896 Sm\n0.798914 0.927628 0.115104 Sm\n0.837563 0.337563 0.290707 Ga\n0.151646 0.348354 0.500000 Ga\n0.337563 0.162437 0.290707 Ga\n0.162437 0.662437 0.290707 Ga\n0.162437 0.662437 0.709293 Ga\n0.337563 0.162437 0.709293 Ga\n0.348354 0.848354 0.500000 Ga\n0.651646 0.151646 0.500000 Ga\n0.662437 0.837563 0.709293 Ga\n0.662437 0.837563 0.290707 Ga\n0.848354 0.651646 0.500000 Ga\n0.837563 0.337563 0.709293 Ga\n0.094368 0.594368 0.000000 Co\n0.806454 0.693546 0.179408 Co\n0.594368 0.905632 0.000000 Co\n0.500000 0.500000 0.589443 Co\n0.500000 0.500000 0.225820 Co\n0.000000 0.000000 0.589443 Co\n0.000000 0.000000 0.410557 Co\n0.000000 0.000000 0.225820 Co\n0.500000 0.500000 0.410557 Co\n0.500000 0.500000 0.774180 Co\n0.693546 0.193546 0.820592 Co\n0.693546 0.193546 0.179408 Co\n0.405632 0.094368 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.193546 0.306454 0.820592 Co\n0.000000 0.000000 0.774180 Co\n0.905632 0.405632 0.000000 Co\n0.193546 0.306454 0.179408 Co\n0.500000 0.500000 0.000000 Co\n0.306454 0.806454 0.820592 Co\n0.806454 0.693546 0.820592 Co\n0.306454 0.806454 0.179408 Co\n",
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"volume": 2070.8242248889474,
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"formula_full": "Sm52 Ga12 Co22",
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"updated_at": "2021-11-28T01:35:13.866000Z",
"spacegroup": 127
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{
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"created_at": "2022-09-04T14:46:22.776745Z",
"structure_string": "Er1 V2 Ga4\n1.0\n-3.300840 3.300840 2.616507\n3.300840 -3.300840 2.616507\n3.300840 3.300840 -2.616507\nEr V Ga\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 V\n0.250000 0.750000 0.500000 V\n0.302591 0.302591 0.605182 Ga\n0.697409 0.302591 0.000000 Ga\n0.302591 0.697409 0.000000 Ga\n0.697409 0.697409 0.394818 Ga\n",
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"density_atomic": 0.061385698323231395,
"volume": 114.03307596406137,
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"formula_full": "Er1 V2 Ga4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "mp-570953",
"created_at": "2022-09-04T14:44:55.019906Z",
"structure_string": "Ho6 Ga18\n1.0\n3.079146 -5.333238 0.000000\n3.079146 5.333238 0.000000\n0.000000 0.000000 14.220173\nHo Ga\n6 18\ndirect\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.333333 0.666667 0.408434 Ho\n0.666667 0.333333 0.591566 Ho\n0.666667 0.333333 0.908434 Ho\n0.333333 0.666667 0.091566 Ho\n0.519902 0.480098 0.250000 Ga\n0.519902 0.039803 0.250000 Ga\n0.960197 0.480098 0.250000 Ga\n0.480098 0.519902 0.750000 Ga\n0.480098 0.960197 0.750000 Ga\n0.039803 0.519902 0.750000 Ga\n0.833487 0.166513 0.418424 Ga\n0.833487 0.666975 0.418424 Ga\n0.333025 0.166513 0.418424 Ga\n0.166513 0.833487 0.581576 Ga\n0.166513 0.333025 0.581576 Ga\n0.666975 0.833487 0.581576 Ga\n0.166513 0.833487 0.918424 Ga\n0.166513 0.333025 0.918424 Ga\n0.666975 0.833487 0.918424 Ga\n0.833487 0.166513 0.081576 Ga\n0.833487 0.666975 0.081576 Ga\n0.333025 0.166513 0.081576 Ga\n",
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"volume": 467.0421988022185,
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"formula_full": "Ho6 Ga18",
"formula_reduced": "HoGa3",
"formula_anonymous": "AB3",
"energy": -94.4673466,
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"updated_at": "2021-11-28T01:36:44.337000Z",
"spacegroup": 194
},
{
"id": "mp-1221875",
"created_at": "2022-09-04T14:39:10.702203Z",
"structure_string": "Mn1 Fe3 Bi4 O12\n1.0\n5.682612 0.000000 0.000000\n-2.763412 -4.978914 0.000000\n-2.781402 1.287414 -9.195595\nMn Fe Bi O\n1 3 4 12\ndirect\n0.343300 0.169016 0.391363 Mn\n0.835795 0.922455 0.638087 Fe\n0.835669 0.412119 0.138747 Fe\n0.333744 0.663761 0.888604 Fe\n0.497667 0.745347 0.251195 Bi\n0.496795 0.248243 0.751252 Bi\n0.996211 0.991996 0.999954 Bi\n0.002272 0.506257 0.497247 Bi\n0.633647 0.239232 0.285368 O\n0.641950 0.751164 0.783560 O\n0.651277 0.618093 0.481480 O\n0.638338 0.094601 0.983099 O\n0.637473 0.617131 0.055827 O\n0.618806 0.113075 0.554322 O\n0.128559 0.739514 0.303911 O\n0.134354 0.272127 0.804092 O\n0.139065 0.283673 0.232082 O\n0.146605 0.808279 0.731996 O\n0.131755 0.637351 0.029364 O\n0.136719 0.156563 0.528449 O\n",
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"elements": [
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],
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"formula_full": "Mn1 Fe3 Bi4 O12",
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{
"id": "mp-1233058",
"created_at": "2022-09-04T14:48:11.441418Z",
"structure_string": "Ca1 Yb4 Ru4 O14\n1.0\n6.402043 0.057658 3.777475\n2.185589 6.023938 3.782491\n0.072112 0.057041 7.430425\nCa Yb Ru O\n1 4 4 14\ndirect\n0.737081 0.738929 0.737061 Ca\n0.465352 0.007211 0.466979 Yb\n0.007263 0.465667 0.467752 Yb\n0.466513 0.466148 0.007247 Yb\n0.493347 0.492670 0.491598 Yb\n0.009232 0.504298 0.009101 Ru\n0.503113 0.009292 0.008476 Ru\n0.008659 0.009294 0.502833 Ru\n0.006385 0.010183 0.006430 Ru\n0.620173 0.620454 0.620018 O\n0.369689 0.369315 0.369872 O\n0.337629 0.927659 0.924945 O\n0.087910 0.684348 0.684906 O\n0.922882 0.341799 0.922280 O\n0.925803 0.928301 0.337071 O\n0.319500 0.320324 0.929706 O\n0.320494 0.931688 0.320433 O\n0.929621 0.320899 0.319961 O\n0.685004 0.684114 0.087736 O\n0.078413 0.075163 0.682159 O\n0.682013 0.074929 0.079097 O\n0.684893 0.088619 0.684599 O\n0.079772 0.678699 0.080481 O\n",
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"volume": 283.0862163272509,
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"formula_full": "Ca1 Yb4 Ru4 O14",
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"spacegroup": 160
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{
"id": "mp-1078752",
"created_at": "2022-09-04T14:39:42.902367Z",
"structure_string": "Sm2 Co2 Ge4\n1.0\n2.112108 -8.269832 0.000000\n2.112108 8.269832 0.000000\n0.000000 0.000000 4.223809\nSm Co Ge\n2 2 4\ndirect\n0.892731 0.107269 0.750000 Sm\n0.107269 0.892731 0.250000 Sm\n0.683385 0.316615 0.750000 Co\n0.316615 0.683385 0.250000 Co\n0.546034 0.453966 0.750000 Ge\n0.453966 0.546034 0.250000 Ge\n0.250758 0.749242 0.750000 Ge\n0.749242 0.250758 0.250000 Ge\n",
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{
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"structure_string": "Eu3 In1 O1\n1.0\n4.960716 0.000000 0.000000\n0.000000 4.960716 0.000000\n0.000000 0.000000 4.960716\nEu In O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-860960",
"created_at": "2022-09-04T14:42:59.602521Z",
"structure_string": "Ba12 Pt9 O27\n1.0\n-8.757122 0.000000 0.000000\n0.042144 10.199126 0.000000\n-0.010656 -5.083403 -8.935512\nBa Pt O\n12 9 27\ndirect\n0.752048 0.310375 0.335772 Ba\n0.999479 0.653593 0.665655 Ba\n0.501229 0.668420 0.677595 Ba\n0.755366 0.015765 0.693793 Ba\n0.749828 0.672593 0.986758 Ba\n0.500487 0.355152 0.001981 Ba\n0.999235 0.372736 0.002250 Ba\n0.249351 0.681586 0.004909 Ba\n0.247734 0.333654 0.313132 Ba\n0.499826 0.992744 0.329356 Ba\n0.997572 0.988843 0.350728 Ba\n0.247189 0.970548 0.669509 Ba\n0.661090 0.003024 0.997269 Pt\n0.235404 0.253369 0.592930 Pt\n0.897836 0.331864 0.668179 Pt\n0.574259 0.332512 0.669583 Pt\n0.999507 0.078715 0.074889 Pt\n0.426214 0.667708 0.329585 Pt\n0.102607 0.667275 0.331833 Pt\n0.764754 0.665026 0.407503 Pt\n0.337909 0.000594 0.996520 Pt\n0.498355 0.158949 0.153033 O\n0.182863 0.003664 0.147909 O\n0.050446 0.319899 0.511374 O\n0.420230 0.323924 0.517030 O\n0.736238 0.166386 0.515833 O\n0.737481 0.471632 0.654665 O\n0.052171 0.182462 0.673640 O\n0.415539 0.188794 0.677178 O\n0.737091 0.338174 0.821646 O\n0.463414 0.507240 0.833779 O\n0.014195 0.509905 0.831320 O\n0.227390 0.821547 0.826602 O\n0.181098 0.151773 0.997060 O\n0.500228 0.859497 0.002411 O\n0.817688 0.158200 0.004663 O\n0.814673 0.001786 0.147799 O\n0.984586 0.682348 0.168841 O\n0.539637 0.682470 0.167938 O\n0.262217 0.521155 0.178122 O\n0.583743 0.516874 0.321625 O\n0.946789 0.515240 0.329427 O\n0.263911 0.822333 0.344258 O\n0.264008 0.652043 0.479705 O\n0.580184 0.811826 0.482546 O\n0.952451 0.811856 0.492907 O\n0.774901 0.831559 0.824814 O\n0.499871 0.007574 0.852519 O\n",
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{
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"created_at": "2022-09-04T14:40:31.200518Z",
"structure_string": "Tm4 Fe4 O12\n1.0\n5.272516 0.000000 0.000000\n0.000000 5.611822 0.000000\n0.000000 0.000000 7.672662\nTm Fe O\n4 4 12\ndirect\n0.021108 0.928389 0.750000 Tm\n0.521108 0.571611 0.250000 Tm\n0.478892 0.428389 0.750000 Tm\n0.978892 0.071611 0.250000 Tm\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.688925 0.308003 0.436328 O\n0.188925 0.191997 0.563672 O\n0.811075 0.808003 0.063672 O\n0.311075 0.691997 0.936328 O\n0.311075 0.691997 0.563672 O\n0.811075 0.808003 0.436328 O\n0.188925 0.191997 0.936328 O\n0.688925 0.308003 0.063672 O\n0.125067 0.451080 0.250000 O\n0.625067 0.048920 0.750000 O\n0.374933 0.951080 0.250000 O\n0.874933 0.548920 0.750000 O\n",
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"formula_full": "Tm4 Fe4 O12",
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