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{
"id": "jvasp-93194",
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"structure_string": "K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n",
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{
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"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.672171 -1.787915 0.000000\n-4.884464 8.460141 0.000000\n0.000000 0.000000 4.129627\nBa Mg Mo\n1 6 1\ndirect\n0.250044 0.375022 0.250000 Ba\n0.749979 0.374961 0.250000 Mg\n0.749979 0.875016 0.250000 Mg\n0.249982 0.083050 0.750000 Mg\n0.249982 0.666934 0.750000 Mg\n0.666138 0.083068 0.750000 Mg\n0.833871 0.666935 0.750000 Mg\n0.250023 0.875011 0.250000 Mo\n",
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{
"id": "jvasp-94243",
"created_at": "2022-09-04T14:35:50.465191Z",
"updated_at": "2022-09-04T14:35:50.465208Z",
"structure_string": "Mg6 Fe1 Sn1\n1.0\n6.223079 -0.022004 0.000000\n-3.130595 5.422351 0.000000\n0.000000 0.000000 4.887192\nMg Fe Sn\n6 1 1\ndirect\n0.669003 0.331647 0.250000 Mg\n0.669002 0.837356 0.250000 Mg\n0.328059 0.180586 0.750000 Mg\n0.328058 0.647474 0.750000 Mg\n0.848761 0.174382 0.750000 Mg\n0.825817 0.662911 0.750000 Mg\n0.165993 0.332996 0.250000 Fe\n0.165305 0.832652 0.250000 Sn\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-93124",
"created_at": "2022-09-04T14:36:00.565465Z",
"updated_at": "2022-09-04T14:36:00.565488Z",
"structure_string": "Li1 Hf1 Mg6\n1.0\n6.016509 -1.611952 0.000000\n-4.404246 7.628376 0.000000\n0.000000 0.000000 4.525304\nLi Hf Mg\n1 1 6\ndirect\n0.249810 0.374904 0.250000 Li\n0.250075 0.875037 0.250000 Hf\n0.749994 0.375042 0.250000 Mg\n0.749994 0.874953 0.250000 Mg\n0.250022 0.121157 0.749999 Mg\n0.250022 0.628866 0.749999 Mg\n0.742358 0.121179 0.749999 Mg\n0.757724 0.628863 0.749999 Mg\n",
"nsites": 8,
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"density": 3.1331139591032797,
"density_atomic": 0.045566615533639596,
"volume": 175.56713190809603,
"volume_molar": 13.216124764750521,
"formula_full": "Li1 Hf1 Mg6",
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"spacegroup": 123
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{
"id": "jvasp-92921",
"created_at": "2022-09-04T14:35:55.095579Z",
"updated_at": "2022-09-04T14:35:55.095610Z",
"structure_string": "Hf1 Mg6 W1\n1.0\n6.309836 0.313439 0.000000\n-2.883472 4.994319 0.000000\n0.000000 0.000000 5.025820\nHf Mg W\n1 6 1\ndirect\n0.150618 0.825308 0.250000 Hf\n0.650463 0.325440 0.250000 Mg\n0.650463 0.825022 0.250000 Mg\n0.331970 0.173150 0.750000 Mg\n0.331970 0.658823 0.750000 Mg\n0.878772 0.189388 0.750000 Mg\n0.849521 0.674761 0.750000 Mg\n0.156227 0.328112 0.250000 W\n",
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"density": 5.179264960480201,
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"volume": 162.92264221315685,
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"formula_full": "Hf1 Mg6 W1",
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"spacegroup": 38
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{
"id": "jvasp-3801",
"created_at": "2022-09-04T14:35:49.787321Z",
"updated_at": "2022-09-04T14:35:49.787348Z",
"structure_string": "Rb1 Bi1 F6\n1.0\n5.131220 -0.029132 -0.604636\n-0.676676 5.086490 -0.604637\n-0.025660 -0.029131 5.166657\nRb Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.211787 0.926292 0.340981 F\n0.926291 0.340982 0.211787 F\n0.659018 0.788212 0.073708 F\n0.073708 0.659019 0.788212 F\n0.788212 0.073709 0.659019 F\n0.340981 0.211789 0.926292 F\n",
"nsites": 8,
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"density": 5.04012711347182,
"density_atomic": 0.05945050934813056,
"volume": 134.56570999507446,
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{
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"created_at": "2022-09-04T14:35:50.415879Z",
"updated_at": "2022-09-04T14:35:50.415909Z",
"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.254694 -0.003608 0.000000\n-3.130471 5.422135 0.000000\n0.000000 0.000000 4.968449\nMg Cr Cd\n6 1 1\ndirect\n0.667084 0.331221 0.250000 Mg\n0.667084 0.835861 0.250000 Mg\n0.328051 0.170793 0.750000 Mg\n0.328051 0.657257 0.750000 Mg\n0.842437 0.171219 0.750000 Mg\n0.834104 0.667051 0.750000 Mg\n0.164593 0.332296 0.250000 Cr\n0.168592 0.834295 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"density": 3.058371670036795,
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"volume": 168.44284476794573,
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"formula_full": "Mg6 Cr1 Cd1",
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{
"id": "jvasp-94089",
"created_at": "2022-09-04T14:36:02.778516Z",
"updated_at": "2022-09-04T14:36:02.778534Z",
"structure_string": "Rb1 Mg6 V1\n1.0\n7.603149 -2.037601 0.000000\n-5.566189 9.640921 0.000000\n0.000000 0.000000 3.381841\nRb Mg V\n1 6 1\ndirect\n0.250047 0.875024 0.250000 Rb\n0.749982 0.374999 0.250000 Mg\n0.749982 0.874983 0.250000 Mg\n0.249949 0.169107 0.750000 Mg\n0.249949 0.580844 0.750000 Mg\n0.838316 0.169158 0.750000 Mg\n0.661759 0.580880 0.750000 Mg\n0.250015 0.375007 0.250000 V\n",
"nsites": 8,
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"elements": [
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"density": 2.2366817103243273,
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{
"id": "jvasp-93163",
"created_at": "2022-09-04T14:35:53.081947Z",
"updated_at": "2022-09-04T14:35:53.081976Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.468075 0.021208 0.000000\n-3.215671 5.612120 0.000000\n0.000000 0.000000 5.112544\nLi Mg Bi\n1 6 1\ndirect\n0.164034 0.335966 0.250000 Li\n0.160680 0.814007 0.250000 Mg\n0.685993 0.339320 0.250000 Mg\n0.664517 0.835482 0.250000 Mg\n0.333203 0.666110 0.749999 Mg\n0.833889 0.166798 0.749999 Mg\n0.830795 0.669205 0.749999 Mg\n0.326887 0.173113 0.749999 Bi\n",
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{
"id": "jvasp-94743",
"created_at": "2022-09-04T14:35:52.898422Z",
"updated_at": "2022-09-04T14:35:52.898447Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.285063 -0.081230 0.000000\n-3.212880 5.564869 0.000000\n0.000000 0.000000 5.157326\nMg Al Sb\n6 1 1\ndirect\n0.668606 0.332507 0.250000 Mg\n0.668606 0.836097 0.250000 Mg\n0.333065 0.176393 0.750001 Mg\n0.333065 0.656675 0.750001 Mg\n0.836829 0.168416 0.750001 Mg\n0.830100 0.665051 0.750001 Mg\n0.163980 0.331991 0.250000 Al\n0.165743 0.832872 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:03.047685Z",
"updated_at": "2022-09-04T14:36:03.047715Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
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{
"id": "jvasp-93121",
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"structure_string": "Li1 Hf1 Mg6\n1.0\n6.353445 0.000546 0.000000\n-3.176247 5.502517 0.000000\n0.000000 0.000000 5.032991\nLi Hf Mg\n1 1 6\ndirect\n0.083454 0.416546 0.250000 Li\n0.416605 0.083395 0.750000 Hf\n0.090716 0.920304 0.250000 Mg\n0.579696 0.409285 0.250000 Mg\n0.579621 0.920380 0.250000 Mg\n0.417155 0.583652 0.750000 Mg\n0.916348 0.082846 0.750000 Mg\n0.916403 0.583597 0.750000 Mg\n",
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