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{
"id": "jvasp-93085",
"created_at": "2022-09-04T14:35:46.427157Z",
"updated_at": "2022-09-04T14:35:46.427174Z",
"structure_string": "Mg6 Si1 Mo1\n1.0\n6.081900 0.019475 0.000000\n-3.024084 5.276817 0.000000\n0.000000 0.000000 4.761355\nMg Si Mo\n6 1 1\ndirect\n0.172078 0.845196 0.250000 Mg\n0.654805 0.327923 0.250000 Mg\n0.667529 0.832473 0.250000 Mg\n0.328278 0.665594 0.749999 Mg\n0.834408 0.171723 0.749999 Mg\n0.831390 0.668612 0.749999 Mg\n0.190925 0.309076 0.250000 Si\n0.320593 0.179408 0.749999 Mo\n",
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{
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"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.304929 -0.086357 0.000000\n-3.227252 5.589765 0.000000\n0.000000 0.000000 4.944710\nMg Fe Bi\n6 1 1\ndirect\n0.672632 0.331789 0.250000 Mg\n0.672632 0.840841 0.250000 Mg\n0.327411 0.187417 0.750000 Mg\n0.327411 0.639993 0.750000 Mg\n0.846062 0.173031 0.750000 Mg\n0.815191 0.657596 0.750000 Mg\n0.170661 0.335329 0.250000 Fe\n0.168000 0.833998 0.250000 Bi\n",
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{
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"created_at": "2022-09-04T14:35:46.462665Z",
"updated_at": "2022-09-04T14:35:46.462696Z",
"structure_string": "Mg6 Nb1 Mo1\n1.0\n6.250110 -0.140730 0.000000\n-3.246930 5.342389 0.000000\n0.000000 0.000000 4.803282\nMg Nb Mo\n6 1 1\ndirect\n0.183473 0.832792 0.250000 Mg\n0.667208 0.316527 0.250000 Mg\n0.669724 0.830277 0.250000 Mg\n0.318223 0.667405 0.750000 Mg\n0.832595 0.181777 0.750000 Mg\n0.828207 0.671793 0.750000 Mg\n0.191115 0.308885 0.250000 Nb\n0.309456 0.190545 0.750000 Mo\n",
"nsites": 8,
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"density": 3.513153722047435,
"density_atomic": 0.05057233195362965,
"volume": 158.18926458315767,
"volume_molar": 11.907975225508228,
"formula_full": "Mg6 Nb1 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92917",
"created_at": "2022-09-04T14:35:46.489325Z",
"updated_at": "2022-09-04T14:35:46.489353Z",
"structure_string": "Mg6 Ga1 W1\n1.0\n6.110049 0.004403 0.000000\n-3.051211 5.293658 0.000000\n0.000000 0.000000 4.813912\nMg Ga W\n6 1 1\ndirect\n0.171757 0.833450 0.250000 Mg\n0.666550 0.328243 0.250000 Mg\n0.668441 0.831559 0.250000 Mg\n0.326510 0.651098 0.750000 Mg\n0.848902 0.173490 0.750000 Mg\n0.833149 0.666851 0.750000 Mg\n0.311397 0.188603 0.750000 Ga\n0.173296 0.326704 0.250000 W\n",
"nsites": 8,
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"elements": [
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"Ga",
"W"
],
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"density": 4.25765509361285,
"density_atomic": 0.05135833285035694,
"volume": 155.76829612654376,
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"formula_full": "Mg6 Ga1 W1",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94733",
"created_at": "2022-09-04T14:35:46.498717Z",
"updated_at": "2022-09-04T14:35:46.498738Z",
"structure_string": "Ca1 Mg6 Sn1\n1.0\n6.725296 -0.070992 0.000000\n-3.424129 5.788782 0.000000\n0.000000 0.000000 5.102224\nCa Mg Sn\n1 6 1\ndirect\n0.180054 0.319946 0.250000 Ca\n0.164607 0.815259 0.250000 Mg\n0.684741 0.335394 0.250000 Mg\n0.659833 0.840167 0.250000 Mg\n0.332338 0.681999 0.749999 Mg\n0.818001 0.167662 0.749999 Mg\n0.820587 0.679413 0.749999 Mg\n0.339843 0.160157 0.749999 Sn\n",
"nsites": 8,
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"elements": [
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"Mg",
"Sn"
],
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"density": 2.5625170518075313,
"density_atomic": 0.04052771245617286,
"volume": 197.39579451101005,
"volume_molar": 14.859315749716725,
"formula_full": "Ca1 Mg6 Sn1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-90878",
"created_at": "2022-09-04T14:35:46.620812Z",
"updated_at": "2022-09-04T14:35:46.620841Z",
"structure_string": "Ho2 Sn6\n1.0\n4.411965 0.000000 0.000000\n0.000000 4.442098 -0.000000\n0.000000 -2.221048 11.047566\nHo Sn\n2 6\ndirect\n0.499999 0.482227 0.964454 Ho\n0.000000 0.209466 0.418929 Ho\n0.499999 0.098239 0.196478 Sn\n0.499999 0.734507 0.469012 Sn\n0.499999 0.869123 0.738245 Sn\n0.000000 0.975971 0.951941 Sn\n0.000000 0.358224 0.716448 Sn\n0.000000 0.598247 0.196490 Sn\n",
"nsites": 8,
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"elements": [
"Ho",
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],
"chemical_system": "Ho-Sn",
"density": 7.992456773152642,
"density_atomic": 0.036949042462319046,
"volume": 216.51440651428163,
"volume_molar": 16.298502907460815,
"formula_full": "Ho2 Sn6",
"formula_reduced": "HoSn3",
"formula_anonymous": "AB3",
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"spacegroup": 38
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{
"id": "jvasp-94118",
"created_at": "2022-09-04T14:35:46.651182Z",
"updated_at": "2022-09-04T14:35:46.651207Z",
"structure_string": "Mg6 Cd1 Co1\n1.0\n6.116719 -0.060554 0.000000\n-3.110801 5.388064 0.000000\n0.000000 0.000000 4.789765\nMg Cd Co\n6 1 1\ndirect\n0.671974 0.333346 0.250000 Mg\n0.671974 0.838625 0.250000 Mg\n0.321418 0.175794 0.749999 Mg\n0.321418 0.645624 0.749999 Mg\n0.849193 0.174598 0.749999 Mg\n0.833335 0.666668 0.749999 Mg\n0.170683 0.835341 0.250000 Cd\n0.160005 0.330003 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"Cd",
"Co"
],
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"density": 3.355605117472063,
"density_atomic": 0.05096991288178794,
"volume": 156.95533987970538,
"volume_molar": 11.815089372365339,
"formula_full": "Mg6 Cd1 Co1",
"formula_reduced": "Mg6CdCo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
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{
"id": "jvasp-94096",
"created_at": "2022-09-04T14:35:47.148664Z",
"updated_at": "2022-09-04T14:35:47.148685Z",
"structure_string": "Mg6 V1 B1\n1.0\n6.755940 1.466568 0.000000\n-2.107884 6.584098 0.000000\n0.000000 0.000000 3.321742\nMg V B\n6 1 1\ndirect\n0.216645 0.955217 0.250000 Mg\n0.544783 0.283356 0.250000 Mg\n0.660782 0.839219 0.250000 Mg\n0.369060 0.608670 0.750000 Mg\n0.891330 0.130940 0.750000 Mg\n0.908322 0.591678 0.750000 Mg\n0.145119 0.354881 0.250000 V\n0.263959 0.236041 0.750000 B\n",
"nsites": 8,
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"elements": [
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"B"
],
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"density": 2.1812841607617486,
"density_atomic": 0.05062469238285593,
"volume": 158.02565158320255,
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"formula_full": "Mg6 V1 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92875",
"created_at": "2022-09-04T14:35:47.356740Z",
"updated_at": "2022-09-04T14:35:47.356768Z",
"structure_string": "Mg6 Cr1 Sb1\n1.0\n6.267605 0.009602 0.000000\n-3.125488 5.413502 0.000000\n0.000000 0.000000 5.097648\nMg Cr Sb\n6 1 1\ndirect\n0.667842 0.331536 0.250000 Mg\n0.667842 0.836304 0.250000 Mg\n0.334093 0.177987 0.750000 Mg\n0.334092 0.656105 0.750000 Mg\n0.841710 0.170855 0.750000 Mg\n0.824371 0.662186 0.750000 Mg\n0.166841 0.333420 0.250000 Cr\n0.163208 0.831603 0.250000 Sb\n",
"nsites": 8,
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"elements": [
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"Cr",
"Sb"
],
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"density": 3.0655136250858375,
"density_atomic": 0.04621215893518396,
"volume": 173.1146127844969,
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"formula_full": "Mg6 Cr1 Sb1",
"formula_reduced": "Mg6CrSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94144",
"created_at": "2022-09-04T14:35:46.969659Z",
"updated_at": "2022-09-04T14:35:46.969687Z",
"structure_string": "Mg6 Co1 W1\n1.0\n6.191928 -0.212666 0.000000\n-3.280138 5.256034 0.000000\n0.000000 0.000000 4.623055\nMg Co W\n6 1 1\ndirect\n0.179276 0.845573 0.250000 Mg\n0.654426 0.320723 0.250000 Mg\n0.674536 0.825463 0.250000 Mg\n0.320955 0.666867 0.750001 Mg\n0.833132 0.179044 0.750001 Mg\n0.829256 0.670743 0.750001 Mg\n0.203814 0.296186 0.250000 Co\n0.304604 0.195395 0.750001 W\n",
"nsites": 8,
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],
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"density": 4.382806343699439,
"density_atomic": 0.05433589239470895,
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},
{
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"created_at": "2022-09-04T14:35:47.134763Z",
"updated_at": "2022-09-04T14:35:47.134795Z",
"structure_string": "Ce1 Mg6 Co1\n1.0\n6.936246 0.762040 0.000000\n-2.808177 4.863906 0.000000\n0.000000 0.000000 4.897068\nCe Mg Co\n1 6 1\ndirect\n0.117891 0.808946 0.250000 Ce\n0.617013 0.310310 0.250000 Mg\n0.617013 0.806704 0.250000 Mg\n0.346448 0.178102 0.750000 Mg\n0.346448 0.668347 0.750000 Mg\n0.937889 0.218944 0.750000 Mg\n0.795080 0.647540 0.750000 Mg\n0.222218 0.361109 0.250000 Co\n",
"nsites": 8,
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],
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"density": 3.2595790465887426,
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"volume": 175.69304758980874,
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"formula_full": "Ce1 Mg6 Co1",
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"formula_anonymous": "ABC6",
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{
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"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
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],
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"formula_full": "Li1 Mg6 Sb1",
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}
]
}