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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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{
"id": "jvasp-92851",
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"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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"elements": [
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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",
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],
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"density": 4.25765509361285,
"density_atomic": 0.05135833285035694,
"volume": 155.76829612654376,
"volume_molar": 11.725732565242616,
"formula_full": "Mg6 Ga1 W1",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94764",
"created_at": "2022-09-04T14:35:42.701917Z",
"updated_at": "2022-09-04T14:35:42.701949Z",
"structure_string": "Mg6 Nb1 Al1\n1.0\n6.256500 -0.008453 0.000000\n-3.135571 5.414062 0.000000\n0.000000 0.000000 4.847631\nMg Nb Al\n6 1 1\ndirect\n0.172977 0.843371 0.250000 Mg\n0.656629 0.327023 0.250000 Mg\n0.668480 0.831520 0.250000 Mg\n0.327941 0.667000 0.750000 Mg\n0.833000 0.172059 0.750000 Mg\n0.832655 0.667346 0.750000 Mg\n0.324521 0.175479 0.750000 Nb\n0.183799 0.316201 0.250000 Al\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Al-Mg-Nb",
"density": 2.6892159038932926,
"density_atomic": 0.04875798154132501,
"volume": 164.0757009848648,
"volume_molar": 12.351087082831581,
"formula_full": "Mg6 Nb1 Al1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"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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],
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"density": 2.5625170518075313,
"density_atomic": 0.04052771245617286,
"volume": 197.39579451101005,
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"formula_full": "Ca1 Mg6 Sn1",
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{
"id": "jvasp-92915",
"created_at": "2022-09-04T14:35:40.979453Z",
"updated_at": "2022-09-04T14:35:40.979485Z",
"structure_string": "Mg6 Sb1 W1\n1.0\n6.145745 0.087226 0.000000\n-2.997332 5.191531 0.000000\n0.000000 0.000000 5.096729\nMg Sb W\n6 1 1\ndirect\n0.664444 0.329500 0.250000 Mg\n0.664444 0.834945 0.250000 Mg\n0.331634 0.179557 0.750000 Mg\n0.331634 0.652078 0.750000 Mg\n0.854145 0.177073 0.750000 Mg\n0.826408 0.663205 0.750000 Mg\n0.157168 0.828584 0.250000 Sb\n0.170127 0.335063 0.250000 W\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.572289861512728,
"density_atomic": 0.0487960005335331,
"volume": 163.94786278646586,
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"formula_full": "Mg6 Sb1 W1",
"formula_reduced": "Mg6SbW",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93140",
"created_at": "2022-09-04T14:35:46.617950Z",
"updated_at": "2022-09-04T14:35:46.617979Z",
"structure_string": "Ce1 Mg6 C1\n1.0\n6.722241 1.518685 0.000000\n-2.296442 5.734198 0.000000\n0.000000 0.000000 4.498849\nCe Mg C\n1 6 1\ndirect\n0.125788 0.340437 0.250000 Ce\n0.609448 0.350349 0.250000 Mg\n0.546879 0.865611 0.250000 Mg\n0.269240 0.020110 0.750000 Mg\n0.424222 0.571847 0.750000 Mg\n0.808525 0.108327 0.750000 Mg\n0.883266 0.636796 0.750000 Mg\n0.332634 0.106529 0.250000 C\n",
"nsites": 8,
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"elements": [
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"C"
],
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"density": 2.616361260248637,
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"volume": 189.10566672210916,
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"formula_full": "Ce1 Mg6 C1",
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"formula_anonymous": "ABC6",
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"spacegroup": 6
},
{
"id": "jvasp-91898",
"created_at": "2022-09-04T14:35:42.604627Z",
"updated_at": "2022-09-04T14:35:42.604655Z",
"structure_string": "Sr1 Mg6 W1\n1.0\n6.303723 -1.689685 0.000000\n-4.615171 7.993711 0.000000\n0.000000 0.000000 4.332377\nSr Mg W\n1 6 1\ndirect\n0.249944 0.374972 0.250000 Sr\n0.750032 0.375039 0.250000 Mg\n0.750032 0.874992 0.250000 Mg\n0.250038 0.092728 0.750001 Mg\n0.250038 0.657311 0.750001 Mg\n0.685357 0.092680 0.750001 Mg\n0.814578 0.657290 0.750001 Mg\n0.249982 0.874990 0.250000 W\n",
"nsites": 8,
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"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-93180",
"created_at": "2022-09-04T14:35:42.597853Z",
"updated_at": "2022-09-04T14:35:42.597865Z",
"structure_string": "K1 Mg6 Sb1\n1.0\n7.509646 -0.591489 0.000000\n-4.267067 6.207799 0.000000\n0.000000 0.000000 4.980470\nK Mg Sb\n1 6 1\ndirect\n0.205415 0.294585 0.250000 K\n0.161164 0.797343 0.250000 Mg\n0.702657 0.338836 0.250000 Mg\n0.632149 0.867851 0.250000 Mg\n0.308786 0.679044 0.750000 Mg\n0.820956 0.191214 0.750000 Mg\n0.790167 0.709833 0.750000 Mg\n0.378707 0.121293 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.31895355171082,
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"volume": 219.61108407860328,
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{
"id": "jvasp-94751",
"created_at": "2022-09-04T14:35:42.577139Z",
"updated_at": "2022-09-04T14:35:42.577166Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.203951 0.045692 0.000000\n-3.062405 5.304241 0.000000\n0.000000 0.000000 4.957613\nMg Al Cr\n6 1 1\ndirect\n0.665164 0.333635 0.250000 Mg\n0.665164 0.831527 0.250000 Mg\n0.329573 0.160371 0.750000 Mg\n0.329573 0.669203 0.750000 Mg\n0.838370 0.169185 0.750000 Mg\n0.843886 0.671943 0.750000 Mg\n0.164742 0.332370 0.250000 Al\n0.163528 0.831763 0.250000 Cr\n",
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],
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"density": 2.278521604651162,
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"formula_full": "Mg6 Al1 Cr1",
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{
"id": "jvasp-94082",
"created_at": "2022-09-04T14:35:46.684223Z",
"updated_at": "2022-09-04T14:35:46.684242Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.980569 -1.870481 0.000000\n-5.110169 8.851071 0.000000\n0.000000 0.000000 3.767534\nSr Mg V\n1 6 1\ndirect\n0.250022 0.875010 0.250000 Sr\n0.749960 0.374994 0.250000 Mg\n0.749960 0.874965 0.250000 Mg\n0.249970 0.158870 0.749999 Mg\n0.249970 0.591101 0.749999 Mg\n0.817820 0.158912 0.749999 Mg\n0.682245 0.591123 0.749999 Mg\n0.250052 0.375024 0.250000 V\n",
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}