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{
"id": "jvasp-93165",
"created_at": "2022-09-04T14:35:57.929377Z",
"updated_at": "2022-09-04T14:35:57.929402Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.511028 -0.017102 0.000000\n-3.270326 5.630165 0.000000\n0.000000 0.000000 5.148777\nNa Li Mg\n1 1 6\ndirect\n0.328707 0.171293 0.750000 Na\n0.162330 0.337669 0.250000 Li\n0.166997 0.825432 0.250000 Mg\n0.674568 0.333002 0.250000 Mg\n0.667948 0.832051 0.250000 Mg\n0.329178 0.663793 0.750000 Mg\n0.836207 0.170822 0.750000 Mg\n0.834060 0.665939 0.750000 Mg\n",
"nsites": 8,
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],
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{
"id": "jvasp-92882",
"created_at": "2022-09-04T14:35:57.594485Z",
"updated_at": "2022-09-04T14:35:57.594506Z",
"structure_string": "Mg6 Cr1 Sb1\n1.0\n6.265355 0.040634 0.000000\n-3.097488 5.446274 0.000000\n0.000000 0.000000 5.048328\nMg Cr Sb\n6 1 1\ndirect\n0.160734 0.821176 0.250000 Mg\n0.678824 0.339265 0.250000 Mg\n0.665035 0.834963 0.250000 Mg\n0.330826 0.660089 0.750000 Mg\n0.839910 0.169174 0.750000 Mg\n0.829804 0.670195 0.750000 Mg\n0.166599 0.333401 0.250000 Cr\n0.328268 0.171731 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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{
"id": "jvasp-94756",
"created_at": "2022-09-04T14:35:57.669836Z",
"updated_at": "2022-09-04T14:35:57.669858Z",
"structure_string": "Mg6 Al1 Si1\n1.0\n6.119343 -0.092975 0.000000\n-3.140189 5.438968 0.000000\n0.000000 0.000000 4.971620\nMg Al Si\n6 1 1\ndirect\n0.669250 0.334131 0.250000 Mg\n0.669250 0.835119 0.250000 Mg\n0.326948 0.162273 0.750000 Mg\n0.326948 0.664677 0.750000 Mg\n0.836830 0.168416 0.750000 Mg\n0.838178 0.669090 0.750000 Mg\n0.167576 0.333788 0.250000 Al\n0.165023 0.832511 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Al-Mg-Si",
"density": 2.033901245041366,
"density_atomic": 0.04877499311753881,
"volume": 164.01847521990345,
"volume_molar": 12.346779312685381,
"formula_full": "Mg6 Al1 Si1",
"formula_reduced": "Mg6AlSi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94202",
"created_at": "2022-09-04T14:35:58.491235Z",
"updated_at": "2022-09-04T14:35:58.491264Z",
"structure_string": "Ce1 Mg6 Co1\n1.0\n6.781676 -0.334799 0.000000\n-3.680783 5.705703 0.000000\n0.000000 0.000000 4.828850\nCe Mg Co\n1 6 1\ndirect\n0.287227 0.212773 0.750000 Ce\n0.175347 0.840439 0.250000 Mg\n0.659561 0.324653 0.250000 Mg\n0.683788 0.816212 0.250000 Mg\n0.316670 0.694565 0.750000 Mg\n0.805435 0.183330 0.750000 Mg\n0.844303 0.655698 0.750000 Mg\n0.227671 0.272328 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"Mg",
"Co"
],
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"density": 3.1657929055054272,
"density_atomic": 0.04422383437899515,
"volume": 180.8979278332259,
"volume_molar": 13.617409807550104,
"formula_full": "Ce1 Mg6 Co1",
"formula_reduced": "CeMg6Co",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0670425874999999,
"spacegroup": 38
},
{
"id": "jvasp-94061",
"created_at": "2022-09-04T14:35:58.066068Z",
"updated_at": "2022-09-04T14:35:58.066093Z",
"structure_string": "Mg6 V1 W1\n1.0\n6.224862 -0.167012 0.000000\n-3.257067 5.307383 0.000000\n0.000000 0.000000 4.720642\nMg V W\n6 1 1\ndirect\n0.182732 0.838580 0.250000 Mg\n0.661419 0.317267 0.250000 Mg\n0.671432 0.828567 0.250000 Mg\n0.318504 0.665839 0.750000 Mg\n0.834160 0.181495 0.750000 Mg\n0.828922 0.671078 0.750000 Mg\n0.196174 0.303825 0.250000 V\n0.306652 0.193348 0.750000 W\n",
"nsites": 8,
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"elements": [
"Mg",
"V",
"W"
],
"chemical_system": "Mg-V-W",
"density": 4.120311048438617,
"density_atomic": 0.05215416374388143,
"volume": 153.3913963089579,
"volume_molar": 11.546807249318611,
"formula_full": "Mg6 V1 W1",
"formula_reduced": "Mg6VW",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.0765748125,
"spacegroup": 38
},
{
"id": "jvasp-94247",
"created_at": "2022-09-04T14:35:58.127275Z",
"updated_at": "2022-09-04T14:35:58.127300Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.222214 -0.137456 0.000000\n-3.230147 5.319866 0.000000\n0.000000 0.000000 4.712712\nMg V Fe\n6 1 1\ndirect\n0.176901 0.842017 0.250000 Mg\n0.657982 0.323099 0.250000 Mg\n0.670924 0.829075 0.250000 Mg\n0.320207 0.661693 0.750000 Mg\n0.838306 0.179792 0.750000 Mg\n0.831740 0.668259 0.750000 Mg\n0.307388 0.192612 0.750000 V\n0.196548 0.303452 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"V",
"Fe"
],
"chemical_system": "Fe-Mg-V",
"density": 2.7255809279426053,
"density_atomic": 0.05198023725770584,
"volume": 153.90464572791143,
"volume_molar": 11.58544300239269,
"formula_full": "Mg6 V1 Fe1",
"formula_reduced": "Mg6VFe",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92924",
"created_at": "2022-09-04T14:35:58.193573Z",
"updated_at": "2022-09-04T14:35:58.193609Z",
"structure_string": "Mg6 W1 C1\n1.0\n6.278489 0.397259 0.000000\n-2.795208 4.841442 0.000000\n0.000000 0.000000 4.540819\nMg W C\n6 1 1\ndirect\n0.617358 0.302567 0.250000 Mg\n0.617357 0.814790 0.250000 Mg\n0.316642 0.158234 0.750000 Mg\n0.316642 0.658409 0.750000 Mg\n0.845227 0.172614 0.750000 Mg\n0.872072 0.686037 0.750000 Mg\n0.125058 0.312528 0.250000 W\n0.289645 0.894822 0.250000 C\n",
"nsites": 8,
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"elements": [
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"W",
"C"
],
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"density": 3.965731560726798,
"density_atomic": 0.05591698608279472,
"volume": 143.06922744646187,
"volume_molar": 10.76978782633811,
"formula_full": "Mg6 W1 C1",
"formula_reduced": "Mg6WC",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93102",
"created_at": "2022-09-04T14:35:58.234631Z",
"updated_at": "2022-09-04T14:35:58.234660Z",
"structure_string": "Mg6 Nb1 Si1\n1.0\n6.170380 0.034352 0.000000\n-3.055440 5.360880 0.000000\n0.000000 0.000000 4.824320\nMg Nb Si\n6 1 1\ndirect\n0.168409 0.840370 0.250000 Mg\n0.659629 0.331591 0.250000 Mg\n0.667145 0.832855 0.250000 Mg\n0.328280 0.669400 0.750000 Mg\n0.830600 0.171720 0.750000 Mg\n0.831403 0.668596 0.750000 Mg\n0.320367 0.179633 0.750000 Nb\n0.194165 0.305835 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"Si"
],
"chemical_system": "Mg-Nb-Si",
"density": 2.767646217781924,
"density_atomic": 0.04997237888624178,
"volume": 160.0884364182737,
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"formula_full": "Mg6 Nb1 Si1",
"formula_reduced": "Mg6NbSi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93197",
"created_at": "2022-09-04T14:35:58.302622Z",
"updated_at": "2022-09-04T14:35:58.302654Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.553867 1.242421 0.000000\n-2.200967 6.297025 0.000000\n0.000000 0.000000 3.605053\nMg Ti B\n6 1 1\ndirect\n0.207151 0.943873 0.250000 Mg\n0.556127 0.292849 0.250000 Mg\n0.670199 0.829802 0.250000 Mg\n0.382519 0.614628 0.749999 Mg\n0.885373 0.117481 0.749999 Mg\n0.901596 0.598404 0.749999 Mg\n0.134803 0.365198 0.250000 Ti\n0.262233 0.237767 0.749999 B\n",
"nsites": 8,
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"elements": [
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"B"
],
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"density": 2.140679847423709,
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"volume": 158.63816527302333,
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"formula_full": "Mg6 Ti1 B1",
"formula_reduced": "Mg6TiB",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94088",
"created_at": "2022-09-04T14:35:58.389754Z",
"updated_at": "2022-09-04T14:35:58.389773Z",
"structure_string": "Mg6 Ni1 Mo1\n1.0\n6.128161 -0.152223 0.000000\n-3.195910 5.231031 0.000000\n0.000000 0.000000 4.719114\nMg Ni Mo\n6 1 1\ndirect\n0.176632 0.847462 0.250000 Mg\n0.652538 0.323368 0.250000 Mg\n0.672933 0.827067 0.250000 Mg\n0.322080 0.663956 0.749999 Mg\n0.836044 0.177920 0.749999 Mg\n0.830421 0.669579 0.749999 Mg\n0.196494 0.303506 0.250000 Ni\n0.312859 0.187141 0.749999 Mo\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.348914983509255,
"density_atomic": 0.05369742186485361,
"volume": 148.98294409989566,
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"formula_full": "Mg6 Ni1 Mo1",
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},
{
"id": "jvasp-94803",
"created_at": "2022-09-04T14:35:58.412089Z",
"updated_at": "2022-09-04T14:35:58.412121Z",
"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
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],
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"density_atomic": 0.03747956717518276,
"volume": 213.44963677428032,
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"formula_full": "Ba1 Mg6 Fe1",
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{
"id": "jvasp-92895",
"created_at": "2022-09-04T14:35:58.435465Z",
"updated_at": "2022-09-04T14:35:58.435488Z",
"structure_string": "Mg6 Cd1 Mo1\n1.0\n6.183840 -0.004813 0.000000\n-3.096087 5.362580 0.000000\n0.000000 0.000000 4.865893\nMg Cd Mo\n6 1 1\ndirect\n0.664383 0.329052 0.250000 Mg\n0.664382 0.835330 0.250000 Mg\n0.324366 0.177449 0.750000 Mg\n0.324366 0.646920 0.750000 Mg\n0.853890 0.176946 0.750000 Mg\n0.837108 0.668554 0.750000 Mg\n0.167959 0.833979 0.250000 Cd\n0.163546 0.331774 0.250000 Mo\n",
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}