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{
"id": "jvasp-94806",
"created_at": "2022-09-04T14:36:01.731963Z",
"updated_at": "2022-09-04T14:36:01.731991Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.523481 -0.161598 0.000000\n-3.901689 6.757925 0.000000\n0.000000 0.000000 5.094242\nK Sr Mg\n1 1 6\ndirect\n0.085786 0.292892 0.250000 K\n0.248357 0.874177 0.250000 Sr\n0.670563 0.388248 0.250000 Mg\n0.670562 0.782315 0.250000 Mg\n0.396016 0.252035 0.750000 Mg\n0.396016 0.643982 0.750000 Mg\n0.678914 0.089458 0.750000 Mg\n0.853783 0.676890 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:01.557976Z",
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"structure_string": "Hf1 Mg6 Co1\n1.0\n6.325435 -0.147964 0.000000\n-3.290858 5.404005 0.000000\n0.000000 0.000000 4.765763\nHf Mg Co\n1 6 1\ndirect\n0.306390 0.193610 0.749999 Hf\n0.176048 0.839131 0.250000 Mg\n0.660868 0.323952 0.250000 Mg\n0.673222 0.826777 0.250000 Mg\n0.317747 0.669506 0.749999 Mg\n0.830493 0.182252 0.749999 Mg\n0.833445 0.666554 0.749999 Mg\n0.201782 0.298217 0.250000 Co\n",
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{
"id": "jvasp-94150",
"created_at": "2022-09-04T14:36:01.609020Z",
"updated_at": "2022-09-04T14:36:01.609059Z",
"structure_string": "Mg6 Co1 Sn1\n1.0\n6.184417 0.008767 0.000000\n-3.084616 5.360245 0.000000\n0.000000 0.000000 4.825450\nMg Co Sn\n6 1 1\ndirect\n0.163443 0.819248 0.250000 Mg\n0.680751 0.336557 0.250000 Mg\n0.666688 0.833311 0.250000 Mg\n0.325271 0.643462 0.750000 Mg\n0.856538 0.174729 0.750000 Mg\n0.831384 0.668616 0.750000 Mg\n0.146474 0.353525 0.250000 Co\n0.329450 0.170550 0.750000 Sn\n",
"nsites": 8,
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"density_atomic": 0.049970606502145826,
"volume": 160.09411452023232,
"volume_molar": 12.051366156104987,
"formula_full": "Mg6 Co1 Sn1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92925",
"created_at": "2022-09-04T14:36:01.715972Z",
"updated_at": "2022-09-04T14:36:01.716003Z",
"structure_string": "Mg6 Cd1 Ga1\n1.0\n6.218129 -0.019742 0.000000\n-3.126161 5.375187 0.000000\n0.000000 0.000000 5.160181\nMg Cd Ga\n6 1 1\ndirect\n0.163709 0.846749 0.250000 Mg\n0.653252 0.336292 0.250000 Mg\n0.664257 0.835744 0.250000 Mg\n0.338139 0.657423 0.750000 Mg\n0.842577 0.161862 0.750000 Mg\n0.836140 0.663861 0.750000 Mg\n0.154029 0.345972 0.250000 Cd\n0.347900 0.152100 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cd-Ga-Mg",
"density": 3.163440695729609,
"density_atomic": 0.04647018614769804,
"volume": 172.15338829444931,
"volume_molar": 12.959149207751377,
"formula_full": "Mg6 Cd1 Ga1",
"formula_reduced": "Mg6CdGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.37499999999813e-05,
"spacegroup": 38
},
{
"id": "jvasp-94772",
"created_at": "2022-09-04T14:36:01.772100Z",
"updated_at": "2022-09-04T14:36:01.772109Z",
"structure_string": "Rb1 Mg6 Al1\n1.0\n6.752651 0.739351 0.000000\n-2.736029 6.217642 0.000000\n0.000000 0.000000 4.980182\nRb Mg Al\n1 6 1\ndirect\n0.382842 0.117158 0.750000 Rb\n0.098937 0.784510 0.250000 Mg\n0.715489 0.401063 0.250000 Mg\n0.637949 0.862050 0.250000 Mg\n0.298734 0.594629 0.750000 Mg\n0.905371 0.201266 0.750000 Mg\n0.808928 0.691072 0.750000 Mg\n0.151748 0.348251 0.250000 Al\n",
"nsites": 8,
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"elements": [
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"Mg",
"Al"
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"chemical_system": "Al-Mg-Rb",
"density": 1.9568496271494948,
"density_atomic": 0.03650132904566829,
"volume": 219.17010172399137,
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"formula_full": "Rb1 Mg6 Al1",
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"formula_anonymous": "ABC6",
"energy_above_hull": 1.2499999999998623e-05,
"spacegroup": 38
},
{
"id": "jvasp-92860",
"created_at": "2022-09-04T14:36:02.273789Z",
"updated_at": "2022-09-04T14:36:02.273813Z",
"structure_string": "Mg6 Nb1 Bi1\n1.0\n6.284085 0.109079 0.000000\n-3.047578 5.496714 0.000000\n0.000000 0.000000 5.069760\nMg Nb Bi\n6 1 1\ndirect\n0.155681 0.819013 0.250000 Mg\n0.680987 0.344319 0.250000 Mg\n0.662516 0.837483 0.250000 Mg\n0.330597 0.655814 0.750000 Mg\n0.844186 0.169403 0.750000 Mg\n0.834282 0.665718 0.750000 Mg\n0.159945 0.340055 0.250000 Nb\n0.331807 0.168193 0.750000 Bi\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Bi-Mg-Nb",
"density": 4.204944396537157,
"density_atomic": 0.04524783199355812,
"volume": 176.80405110103288,
"volume_molar": 13.309236033358163,
"formula_full": "Mg6 Nb1 Bi1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93058",
"created_at": "2022-09-04T14:36:02.313812Z",
"updated_at": "2022-09-04T14:36:02.313836Z",
"structure_string": "Na1 Mg6 Cd1\n1.0\n6.461449 0.001938 0.000000\n-3.229047 5.596746 0.000000\n0.000000 0.000000 5.152945\nNa Mg Cd\n1 6 1\ndirect\n0.169644 0.330357 0.250000 Na\n0.168595 0.834804 0.250000 Mg\n0.665197 0.331405 0.250000 Mg\n0.664720 0.835281 0.250000 Mg\n0.336057 0.671720 0.749999 Mg\n0.828281 0.163944 0.749999 Mg\n0.831844 0.668157 0.749999 Mg\n0.335663 0.164337 0.749999 Cd\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cd"
],
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"density": 2.505623192500284,
"density_atomic": 0.04292337030006448,
"volume": 186.37865442704955,
"volume_molar": 14.029981145238619,
"formula_full": "Na1 Mg6 Cd1",
"formula_reduced": "NaMg6Cd",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-90111",
"created_at": "2022-09-04T14:36:02.188179Z",
"updated_at": "2022-09-04T14:36:02.188202Z",
"structure_string": "Yb2 Ge6 Pt1\n1.0\n4.182932 0.000000 0.000000\n0.000000 3.973959 -0.000000\n0.000000 -1.986978 11.283348\nYb Ge Pt\n2 6 1\ndirect\n0.000000 0.001343 0.002685 Yb\n0.000000 0.665589 0.331178 Yb\n0.000000 0.284361 0.568724 Ge\n0.000000 0.396063 0.792126 Ge\n0.500000 0.543720 0.087438 Ge\n0.500000 0.110268 0.220536 Ge\n0.500000 0.899884 0.799770 Ge\n0.500000 0.788233 0.576466 Ge\n0.500000 0.218538 0.437075 Pt\n",
"nsites": 9,
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"elements": [
"Yb",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Yb",
"density": 8.649744311635525,
"density_atomic": 0.04798442997225359,
"volume": 187.56084015594516,
"volume_molar": 12.5501975609218,
"formula_full": "Yb2 Ge6 Pt1",
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"formula_anonymous": "AB2C6",
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"spacegroup": 38
},
{
"id": "jvasp-94067",
"created_at": "2022-09-04T14:36:02.327751Z",
"updated_at": "2022-09-04T14:36:02.327781Z",
"structure_string": "Mg6 V1 Cr1\n1.0\n6.196278 -0.014033 0.000000\n-3.110292 5.387185 0.000000\n0.000000 0.000000 4.933691\nMg V Cr\n6 1 1\ndirect\n0.662305 0.330520 0.250000 Mg\n0.662305 0.831784 0.250000 Mg\n0.326471 0.164809 0.750000 Mg\n0.326471 0.661662 0.750000 Mg\n0.845986 0.172993 0.750000 Mg\n0.845493 0.672747 0.750000 Mg\n0.164313 0.332156 0.250000 V\n0.166659 0.833329 0.250000 Cr\n",
"nsites": 8,
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"elements": [
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"V",
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],
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"density": 2.511576539979788,
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"volume": 164.47371271737012,
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"formula_full": "Mg6 V1 Cr1",
"formula_reduced": "Mg6VCr",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92896",
"created_at": "2022-09-04T14:36:02.771427Z",
"updated_at": "2022-09-04T14:36:02.771450Z",
"structure_string": "Mg6 Ga1 Mo1\n1.0\n6.123334 0.017947 0.000000\n-3.046125 5.311936 0.000000\n0.000000 0.000000 4.807472\nMg Ga Mo\n6 1 1\ndirect\n0.171659 0.835640 0.250000 Mg\n0.664360 0.328341 0.250000 Mg\n0.667718 0.832282 0.250000 Mg\n0.327669 0.650535 0.750000 Mg\n0.849465 0.172331 0.750000 Mg\n0.834184 0.665816 0.750000 Mg\n0.312876 0.187124 0.750000 Ga\n0.172064 0.327936 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.3022543599802403,
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"volume": 156.63429859943582,
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"formula_full": "Mg6 Ga1 Mo1",
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{
"id": "jvasp-94101",
"created_at": "2022-09-04T14:36:02.454130Z",
"updated_at": "2022-09-04T14:36:02.454146Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
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"volume": 154.8300280616336,
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"formula_full": "Mg6 Nb1 Ni1",
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{
"id": "jvasp-93103",
"created_at": "2022-09-04T14:36:02.588542Z",
"updated_at": "2022-09-04T14:36:02.588559Z",
"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.629960 -0.127524 0.000000\n-3.425419 5.677950 0.000000\n0.000000 0.000000 4.895008\nCe Mg Nb\n1 6 1\ndirect\n0.202535 0.297466 0.250000 Ce\n0.183636 0.824121 0.250000 Mg\n0.675879 0.316365 0.250000 Mg\n0.663976 0.836025 0.250000 Mg\n0.325046 0.679959 0.750000 Mg\n0.820042 0.174955 0.750000 Mg\n0.823503 0.676497 0.750000 Mg\n0.305384 0.194616 0.750000 Nb\n",
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],
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}