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{
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"results": [
{
"id": "jvasp-32135",
"created_at": "2022-09-04T14:38:14.695960Z",
"updated_at": "2022-09-04T14:38:14.695986Z",
"structure_string": "Lu1 Mg16 Al12\n1.0\n7.454441 -4.303823 3.043262\n0.000000 8.607646 3.043262\n-7.454441 -4.303823 3.043262\nLu Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Lu\n0.395580 0.395581 0.714471 Mg\n0.285529 0.681108 0.681108 Mg\n0.646573 0.646574 0.646573 Mg\n-0.000000 0.318892 0.604420 Mg\n0.318892 -0.000000 0.604421 Mg\n0.395580 0.714473 0.395580 Mg\n0.714471 0.395581 0.395580 Mg\n0.681108 0.285529 0.681108 Mg\n0.604421 -0.000000 0.318892 Mg\n-0.000000 0.604420 0.318891 Mg\n0.681108 0.681108 0.285529 Mg\n0.604420 0.318892 -0.000000 Mg\n0.318891 0.604420 -0.000000 Mg\n0.999998 0.353424 0.999998 Mg\n0.353424 0.999999 0.999998 Mg\n0.999998 0.999999 0.353424 Mg\n0.632794 -0.000000 0.813427 Al\n-0.000001 0.813428 0.632795 Al\n0.813427 -0.000000 0.632794 Al\n0.180633 0.367206 0.367206 Al\n0.367206 0.180633 0.367206 Al\n0.813427 0.632795 -0.000000 Al\n0.819365 0.186572 0.186572 Al\n0.367206 0.367206 0.180633 Al\n0.632795 0.813428 -0.000001 Al\n-0.000000 0.632795 0.813427 Al\n0.186572 0.819366 0.186572 Al\n0.186572 0.186572 0.819365 Al\n",
"nsites": 29,
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"elements": [
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],
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"density": 2.5160471320201214,
"density_atomic": 0.0495037296715774,
"volume": 585.8144465557384,
"volume_molar": 12.165024332414324,
"formula_full": "Lu1 Mg16 Al12",
"formula_reduced": "Lu(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3507180741379311,
"spacegroup": 217
},
{
"id": "jvasp-32132",
"created_at": "2022-09-04T14:38:07.667511Z",
"updated_at": "2022-09-04T14:38:07.667529Z",
"structure_string": "Sm1 Mg16 Al12\n1.0\n7.477205 -4.316966 3.052556\n-0.000000 8.633932 3.052556\n-7.477205 -4.316966 3.052556\nSm Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.396273 0.396272 0.715859 Mg\n0.284143 0.680415 0.680416 Mg\n0.641263 0.641263 0.641263 Mg\n0.000000 0.319586 0.603728 Mg\n0.319586 0.000000 0.603727 Mg\n0.715859 0.396272 0.396273 Mg\n0.396273 0.715858 0.396273 Mg\n0.680415 0.284142 0.680415 Mg\n0.000000 0.603728 0.319586 Mg\n0.603727 0.000000 0.319586 Mg\n0.680416 0.680415 0.284143 Mg\n0.603728 0.319586 0.000000 Mg\n0.319586 0.603728 0.000000 Mg\n0.000000 0.358737 0.000000 Mg\n0.358736 0.000000 0.000000 Mg\n0.000000 0.000000 0.358736 Mg\n0.000001 0.629907 0.812067 Al\n0.000001 0.812066 0.629908 Al\n0.812067 0.000000 0.629908 Al\n0.370096 0.182159 0.370096 Al\n0.182160 0.370094 0.370096 Al\n0.629908 0.812066 0.000001 Al\n0.817841 0.187934 0.187934 Al\n0.370096 0.370094 0.182160 Al\n0.812067 0.629907 0.000001 Al\n0.629908 0.000000 0.812067 Al\n0.187934 0.817840 0.187934 Al\n0.187934 0.187934 0.817841 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Sm",
"density": 2.4240210015853183,
"density_atomic": 0.04905295689760187,
"volume": 591.1977958951088,
"volume_molar": 12.276814978903777,
"formula_full": "Sm1 Mg16 Al12",
"formula_reduced": "Sm(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3588671474137933,
"spacegroup": 217
},
{
"id": "jvasp-112939",
"created_at": "2022-09-04T14:38:43.752597Z",
"updated_at": "2022-09-04T14:38:43.752612Z",
"structure_string": "Mg16 Al12 O1\n1.0\n8.558098 -0.024980 -2.904176\n-4.045273 7.541713 -2.904176\n-0.014997 -0.024980 9.037425\nMg Al O\n16 12 1\ndirect\n0.464317 0.464317 0.694190 Mg\n0.464318 0.694191 0.464317 Mg\n0.002884 0.329727 0.594364 Mg\n0.006402 0.328751 0.006402 Mg\n0.594364 0.002884 0.329727 Mg\n0.290289 0.701706 0.701705 Mg\n0.701706 0.290289 0.701706 Mg\n0.002884 0.594364 0.329727 Mg\n0.329727 0.594364 0.002884 Mg\n0.329727 0.002884 0.594364 Mg\n0.594365 0.329727 0.002884 Mg\n0.694191 0.464317 0.464317 Mg\n0.806214 0.806213 0.806212 Mg\n0.701707 0.701706 0.290289 Mg\n0.006402 0.006402 0.328751 Mg\n0.328751 0.006402 0.006402 Mg\n0.162015 0.355743 0.355742 Al\n0.639930 0.834579 0.025898 Al\n0.639930 0.025898 0.834579 Al\n0.802566 0.204585 0.204585 Al\n0.204585 0.802565 0.204584 Al\n0.025898 0.834579 0.639929 Al\n0.834580 0.639930 0.025898 Al\n0.355743 0.162015 0.355742 Al\n0.355743 0.355743 0.162015 Al\n0.204585 0.204585 0.802565 Al\n0.834580 0.025898 0.639929 Al\n0.025898 0.639930 0.834579 Al\n0.595715 0.595715 0.595714 O\n",
"nsites": 29,
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"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 2.082043750693065,
"density_atomic": 0.04990167182828587,
"volume": 581.142854287336,
"volume_molar": 12.068014035125886,
"formula_full": "Mg16 Al12 O1",
"formula_reduced": "Mg16Al12O",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3948207551724141,
"spacegroup": 160
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
"formula_reduced": "Nb12ZnSe16",
"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-39572",
"created_at": "2022-09-04T14:37:52.852363Z",
"updated_at": "2022-09-04T14:37:52.852389Z",
"structure_string": "Y1 Mg16 Al12\n1.0\n7.466256 -4.310645 3.048085\n0.000000 8.621288 3.048085\n-7.466256 -4.310645 3.048085\nY Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.395894 0.395896 0.715284 Mg\n0.680611 0.284719 0.680611 Mg\n0.643261 0.643261 0.643261 Mg\n0.319390 0.000001 0.604108 Mg\n0.000000 0.319391 0.604109 Mg\n0.395895 0.715285 0.395895 Mg\n0.715284 0.395896 0.395894 Mg\n0.284718 0.680612 0.680611 Mg\n0.000000 0.604108 0.319391 Mg\n0.604108 0.000001 0.319390 Mg\n0.680611 0.680612 0.284718 Mg\n0.319391 0.604108 0.000000 Mg\n0.356740 0.000000 0.000000 Mg\n0.000000 0.356740 0.000000 Mg\n0.604109 0.319391 0.000000 Mg\n0.000000 0.000000 0.356740 Mg\n0.000000 0.631210 0.812575 Al\n0.000000 0.812575 0.631209 Al\n0.812575 0.000001 0.631209 Al\n0.181365 0.368793 0.368793 Al\n0.368793 0.181366 0.368793 Al\n0.631209 0.812575 0.000000 Al\n0.818635 0.187428 0.187426 Al\n0.368793 0.368793 0.181365 Al\n0.812575 0.631210 0.000000 Al\n0.631209 0.000001 0.812575 Al\n0.187426 0.818635 0.187426 Al\n0.187426 0.187428 0.818635 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Y",
"density": 2.2613307009317385,
"density_atomic": 0.04926909736681731,
"volume": 588.6042478937613,
"volume_molar": 12.22295735431091,
"formula_full": "Y1 Mg16 Al12",
"formula_reduced": "Y(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4200753051724138,
"spacegroup": 217
},
{
"id": "jvasp-32126",
"created_at": "2022-09-04T14:38:06.066275Z",
"updated_at": "2022-09-04T14:38:06.066301Z",
"structure_string": "Yb1 Mg16 Al12\n1.0\n7.477749 -4.317280 3.052779\n-0.000000 8.634562 3.052779\n-7.477749 -4.317280 3.052779\nYb Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.396168 0.396168 0.714749 Mg\n0.285253 0.681419 0.681421 Mg\n0.645776 0.645776 0.645776 Mg\n0.000000 0.318580 0.603831 Mg\n0.318580 0.999999 0.603832 Mg\n0.396168 0.714749 0.396168 Mg\n0.714749 0.396168 0.396168 Mg\n0.681420 0.285253 0.681420 Mg\n0.603832 0.999999 0.318580 Mg\n0.999999 0.603831 0.318580 Mg\n0.681421 0.681419 0.285253 Mg\n0.000000 0.354223 0.000000 Mg\n0.354223 0.000000 0.000000 Mg\n0.603831 0.318580 0.000000 Mg\n0.318580 0.603831 0.999999 Mg\n0.000000 0.000000 0.354223 Mg\n0.630542 0.999999 0.812509 Al\n0.999999 0.812508 0.630542 Al\n0.812509 0.999999 0.630542 Al\n0.369459 0.181967 0.369459 Al\n0.181967 0.369459 0.369459 Al\n0.630542 0.812508 0.999999 Al\n0.187491 0.818031 0.187491 Al\n0.369459 0.369459 0.181967 Al\n0.812509 0.630541 0.999999 Al\n0.999999 0.630541 0.812509 Al\n0.818032 0.187490 0.187491 Al\n0.187491 0.187490 0.818032 Al\n",
"nsites": 29,
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"elements": [
"Yb",
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"Al"
],
"chemical_system": "Al-Mg-Yb",
"density": 2.487179939165012,
"density_atomic": 0.04904223064412402,
"volume": 591.3270995040807,
"volume_molar": 12.279500097986551,
"formula_full": "Yb1 Mg16 Al12",
"formula_reduced": "Yb(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.256721003448276,
"spacegroup": 217
},
{
"id": "jvasp-32131",
"created_at": "2022-09-04T14:38:10.076152Z",
"updated_at": "2022-09-04T14:38:10.076176Z",
"structure_string": "Tm1 Mg16 Al12\n1.0\n7.457800 -4.305763 3.044633\n0.000000 8.611524 3.044633\n-7.457800 -4.305763 3.044633\nTm Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.395650 0.395649 0.714721 Mg\n0.285279 0.680926 0.680926 Mg\n0.645522 0.645522 0.645522 Mg\n0.319072 -0.000000 0.604350 Mg\n-0.000000 0.319072 0.604350 Mg\n0.714721 0.395649 0.395650 Mg\n0.395650 0.714721 0.395650 Mg\n0.680926 0.285279 0.680926 Mg\n0.604350 -0.000000 0.319072 Mg\n-0.000000 0.604350 0.319072 Mg\n0.680926 0.680926 0.285279 Mg\n0.354477 -0.000000 -0.000000 Mg\n-0.000000 0.354476 -0.000000 Mg\n0.319072 0.604350 -0.000000 Mg\n0.604350 0.319072 -0.000000 Mg\n-0.000000 -0.000000 0.354477 Mg\n0.632340 0.000001 0.813170 Al\n0.813170 0.000001 0.632340 Al\n-0.000000 0.813170 0.632341 Al\n0.367660 0.180829 0.367660 Al\n0.180829 0.367660 0.367660 Al\n0.813170 0.632340 0.000000 Al\n0.186829 0.819169 0.186829 Al\n0.367660 0.367660 0.180829 Al\n0.632341 0.813170 -0.000000 Al\n0.000000 0.632340 0.813170 Al\n0.819169 0.186829 0.186829 Al\n0.186829 0.186829 0.819169 Al\n",
"nsites": 29,
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"elements": [
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"Al"
],
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"density": 2.4955718735782524,
"density_atomic": 0.049436875019707664,
"volume": 586.6066572460204,
"volume_molar": 12.181475381684859,
"formula_full": "Tm1 Mg16 Al12",
"formula_reduced": "Tm(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3510897465517243,
"spacegroup": 217
},
{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Pt"
],
"chemical_system": "Al-Mg-Pt",
"density": 2.658439291973794,
"density_atomic": 0.051146155645403375,
"volume": 567.0025368291057,
"volume_molar": 11.774376165730892,
"formula_full": "Mg16 Al12 Pt1",
"formula_reduced": "Mg16Al12Pt",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4058041310344829,
"spacegroup": 8
},
{
"id": "jvasp-119015",
"created_at": "2022-09-04T14:38:51.058230Z",
"updated_at": "2022-09-04T14:38:51.058269Z",
"structure_string": "Mg16 Sc1 Al12\n1.0\n8.622988 0.010100 2.992685\n-4.286683 7.482003 2.992685\n-0.008907 -0.015390 8.962840\nMg Sc Al\n16 1 12\ndirect\n0.399664 0.399663 0.281656 Mg\n0.314390 0.605430 0.996959 Mg\n0.000553 0.318962 0.393649 Mg\n0.996286 0.335456 0.007752 Mg\n0.290230 0.684243 0.315605 Mg\n0.599645 0.001867 0.685202 Mg\n0.001867 0.599644 0.685202 Mg\n0.684244 0.290230 0.315605 Mg\n0.398856 0.714410 0.604053 Mg\n0.318962 0.000553 0.393649 Mg\n0.714410 0.398856 0.604053 Mg\n0.605430 0.314390 0.996959 Mg\n-0.000529 -0.000529 0.002526 Mg\n0.656774 0.656774 0.348896 Mg\n0.004889 0.004889 0.649809 Mg\n0.335456 0.996286 0.007752 Mg\n0.684839 0.684838 0.720655 Sc\n0.179230 0.364998 0.633617 Al\n0.822224 0.184741 0.811426 Al\n0.634126 0.000604 0.181514 Al\n0.000604 0.634125 0.181514 Al\n0.184741 0.822224 0.811426 Al\n0.184124 0.184124 0.180873 Al\n0.995588 0.810267 0.372900 Al\n0.812375 0.632713 0.997365 Al\n0.372924 0.372924 0.815491 Al\n0.810267 0.995588 0.372900 Al\n0.364998 0.179230 0.633617 Al\n0.632713 0.812374 0.997365 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Sc",
"Al"
],
"chemical_system": "Al-Mg-Sc",
"density": 2.1711474674012154,
"density_atomic": 0.050048379052173984,
"volume": 579.4393454734736,
"volume_molar": 12.032638966632852,
"formula_full": "Mg16 Sc1 Al12",
"formula_reduced": "Mg16ScAl12",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4068152982758624,
"spacegroup": 8
},
{
"id": "jvasp-104135",
"created_at": "2022-09-04T14:37:02.239032Z",
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