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{
"id": "jvasp-93092",
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"structure_string": "Mg6 Si1 W1\n1.0\n6.029818 0.216007 0.000000\n-2.827841 4.897963 0.000000\n0.000000 0.000000 5.015868\nMg Si W\n6 1 1\ndirect\n0.653465 0.327324 0.250000 Mg\n0.653465 0.826141 0.250000 Mg\n0.338086 0.160492 0.750000 Mg\n0.338086 0.677594 0.750000 Mg\n0.854935 0.177468 0.750000 Mg\n0.855306 0.677653 0.750000 Mg\n0.156834 0.328416 0.250000 Si\n0.149825 0.824912 0.250000 W\n",
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{
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"structure_string": "Mg6 Cd1 B1\n1.0\n6.751773 -0.410059 0.000000\n-3.731008 5.642178 0.000000\n0.000000 0.000000 4.541465\nMg Cd B\n6 1 1\ndirect\n0.170637 0.877919 0.250000 Mg\n0.622081 0.329363 0.250000 Mg\n0.671378 0.828622 0.250000 Mg\n0.318804 0.680910 0.750001 Mg\n0.819090 0.181196 0.750001 Mg\n0.825436 0.674564 0.750001 Mg\n0.158615 0.341385 0.250000 Cd\n0.413958 0.086042 0.750001 B\n",
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{
"id": "jvasp-92859",
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"updated_at": "2022-09-04T14:35:58.990943Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.196478 0.081021 0.000000\n-3.028073 5.406817 0.000000\n0.000000 0.000000 5.050616\nMg Nb Sb\n6 1 1\ndirect\n0.162174 0.822804 0.250000 Mg\n0.677197 0.337826 0.250000 Mg\n0.665018 0.834983 0.250000 Mg\n0.329828 0.660145 0.750001 Mg\n0.839856 0.170173 0.750001 Mg\n0.833135 0.666865 0.750001 Mg\n0.167941 0.332059 0.250000 Nb\n0.324858 0.175143 0.750001 Sb\n",
"nsites": 8,
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],
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"density": 3.5119668444719467,
"density_atomic": 0.0469343047254387,
"volume": 170.45101758296525,
"volume_molar": 12.831000257123147,
"formula_full": "Mg6 Nb1 Sb1",
"formula_reduced": "Mg6NbSb",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94771",
"created_at": "2022-09-04T14:35:59.012622Z",
"updated_at": "2022-09-04T14:35:59.012638Z",
"structure_string": "Na1 Mg6 Al1\n1.0\n6.411641 0.013371 0.000000\n-3.194241 5.559329 0.000000\n0.000000 0.000000 5.133524\nNa Mg Al\n1 6 1\ndirect\n0.332480 0.167520 0.749999 Na\n0.163081 0.829264 0.250000 Mg\n0.670736 0.336919 0.250000 Mg\n0.666811 0.833189 0.250000 Mg\n0.329507 0.659644 0.749999 Mg\n0.840356 0.170493 0.749999 Mg\n0.834715 0.665285 0.749999 Mg\n0.162316 0.337684 0.250000 Al\n",
"nsites": 8,
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"elements": [
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"Mg",
"Al"
],
"chemical_system": "Al-Mg-Na",
"density": 1.774751053070212,
"density_atomic": 0.043667943896639194,
"volume": 183.20074833236427,
"volume_molar": 13.79075867243541,
"formula_full": "Na1 Mg6 Al1",
"formula_reduced": "NaMg6Al",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94149",
"created_at": "2022-09-04T14:35:59.150079Z",
"updated_at": "2022-09-04T14:35:59.150103Z",
"structure_string": "Mg6 Ga1 Co1\n1.0\n6.054808 -0.062477 0.000000\n-3.081511 5.337334 0.000000\n0.000000 0.000000 4.728174\nMg Ga Co\n6 1 1\ndirect\n0.670009 0.333031 0.250000 Mg\n0.670009 0.836976 0.250000 Mg\n0.321476 0.172515 0.749999 Mg\n0.321476 0.648960 0.749999 Mg\n0.849560 0.174779 0.749999 Mg\n0.837255 0.668627 0.749999 Mg\n0.166051 0.833024 0.250000 Ga\n0.164164 0.332081 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"Ga",
"Co"
],
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"density": 3.000864697533426,
"density_atomic": 0.05267042188844881,
"volume": 151.88790431455584,
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"formula_full": "Mg6 Ga1 Co1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92885",
"created_at": "2022-09-04T14:35:59.229717Z",
"updated_at": "2022-09-04T14:35:59.229735Z",
"structure_string": "Hf1 Mg6 Cr1\n1.0\n6.368940 -0.177868 0.000000\n-3.338509 5.426730 0.000000\n0.000000 0.000000 4.804374\nHf Mg Cr\n1 6 1\ndirect\n0.299571 0.200429 0.749999 Hf\n0.179469 0.834802 0.250000 Mg\n0.665198 0.320530 0.250000 Mg\n0.674900 0.825099 0.250000 Mg\n0.315522 0.670730 0.749999 Mg\n0.829270 0.184477 0.749999 Mg\n0.830536 0.669463 0.749999 Mg\n0.205531 0.294469 0.250000 Cr\n",
"nsites": 8,
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"elements": [
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"Mg",
"Cr"
],
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"density": 3.8290065826277795,
"density_atomic": 0.04902010117455978,
"volume": 163.19835757809088,
"volume_molar": 12.28504351420095,
"formula_full": "Hf1 Mg6 Cr1",
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"spacegroup": 38
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{
"id": "jvasp-92883",
"created_at": "2022-09-04T14:35:59.418783Z",
"updated_at": "2022-09-04T14:35:59.418811Z",
"structure_string": "Mg6 Bi1 Mo1\n1.0\n6.173706 0.104237 0.000000\n-2.996581 5.398704 0.000000\n0.000000 0.000000 5.052175\nMg Bi Mo\n6 1 1\ndirect\n0.156192 0.820373 0.250000 Mg\n0.679627 0.343808 0.250000 Mg\n0.662761 0.837240 0.250000 Mg\n0.324704 0.646674 0.750001 Mg\n0.853327 0.175296 0.750001 Mg\n0.833890 0.666111 0.750001 Mg\n0.331973 0.168027 0.750001 Bi\n0.157531 0.342469 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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"Mo"
],
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"density": 4.403726138047032,
"density_atomic": 0.04706792704960461,
"volume": 169.96711989395342,
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"formula_full": "Mg6 Bi1 Mo1",
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"spacegroup": 38
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{
"id": "jvasp-93168",
"created_at": "2022-09-04T14:35:59.636583Z",
"updated_at": "2022-09-04T14:35:59.636610Z",
"structure_string": "Li1 Mg6 B1\n1.0\n6.240664 -0.109036 0.000000\n-3.214761 5.568128 0.000000\n0.000000 0.000000 4.565051\nLi Mg B\n1 6 1\ndirect\n0.178529 0.339264 0.250000 Li\n0.702186 0.355945 0.250000 Mg\n0.702186 0.846240 0.250000 Mg\n0.318933 0.145144 0.750000 Mg\n0.318933 0.673790 0.750000 Mg\n0.839698 0.169850 0.750000 Mg\n0.852812 0.676407 0.750000 Mg\n0.086721 0.793360 0.250000 B\n",
"nsites": 8,
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"elements": [
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"Mg",
"B"
],
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"density": 1.7298247543839125,
"density_atomic": 0.050945694096574574,
"volume": 157.02995399051585,
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"formula_full": "Li1 Mg6 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91955",
"created_at": "2022-09-04T14:35:59.502272Z",
"updated_at": "2022-09-04T14:35:59.502297Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.492548 -0.732901 0.000000\n-4.380985 6.122286 0.000000\n0.000000 0.000000 4.694360\nSr Mg Fe\n1 6 1\ndirect\n0.285872 0.214129 0.750000 Sr\n0.200176 0.808822 0.250000 Mg\n0.691179 0.299826 0.250000 Mg\n0.692714 0.807288 0.250000 Mg\n0.322159 0.672241 0.750000 Mg\n0.827760 0.177842 0.750000 Mg\n0.869097 0.630905 0.750000 Mg\n0.111049 0.388951 0.250000 Fe\n",
"nsites": 8,
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],
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-94062",
"created_at": "2022-09-04T14:35:59.533151Z",
"updated_at": "2022-09-04T14:35:59.533177Z",
"structure_string": "Mg6 V1 Cr1\n1.0\n6.260565 -0.193622 0.000000\n-3.297964 5.324996 0.000000\n0.000000 0.000000 4.634460\nMg V Cr\n6 1 1\ndirect\n0.182709 0.840762 0.250000 Mg\n0.659238 0.317292 0.250000 Mg\n0.670875 0.829127 0.250000 Mg\n0.319007 0.658510 0.750000 Mg\n0.841490 0.180994 0.750000 Mg\n0.828081 0.671920 0.750000 Mg\n0.199536 0.300464 0.250000 V\n0.299067 0.200933 0.750000 Cr\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.725902374005699,
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},
{
"id": "jvasp-94100",
"created_at": "2022-09-04T14:35:59.583820Z",
"updated_at": "2022-09-04T14:35:59.583846Z",
"structure_string": "Mg6 Cr1 Ni1\n1.0\n5.823548 0.676763 0.000000\n-2.325680 5.381722 0.000000\n0.000000 0.000000 4.620110\nMg Cr Ni\n6 1 1\ndirect\n0.133091 0.901481 0.250000 Mg\n0.598518 0.366909 0.250000 Mg\n0.618932 0.881068 0.250000 Mg\n0.345549 0.580765 0.750000 Mg\n0.919235 0.154450 0.750000 Mg\n0.871315 0.628684 0.750000 Mg\n0.399150 0.100849 0.750000 Cr\n0.114211 0.385789 0.250000 Ni\n",
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],
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{
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"created_at": "2022-09-04T14:35:59.635634Z",
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"structure_string": "Hf1 Mg6 Ga1\n1.0\n6.369944 0.218086 0.000000\n-2.996104 5.189404 0.000000\n0.000000 0.000000 4.999048\nHf Mg Ga\n1 6 1\ndirect\n0.146337 0.823168 0.250000 Hf\n0.652202 0.325453 0.250000 Mg\n0.652202 0.826747 0.250000 Mg\n0.342818 0.165356 0.750000 Mg\n0.342818 0.677463 0.750000 Mg\n0.861662 0.180833 0.750000 Mg\n0.837391 0.668696 0.750000 Mg\n0.164569 0.332283 0.250000 Ga\n",
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]
}