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{
"id": "mp-1028004",
"created_at": "2022-09-04T14:40:15.288505Z",
"structure_string": "Sr1 Mg14 Zn1\n1.0\n6.513410 0.021396 0.000000\n-3.238176 5.608684 0.000000\n0.000000 0.000000 10.571260\nSr Mg Zn\n1 14 1\ndirect\n0.157776 0.828887 0.125000 Sr\n0.163358 0.331678 0.625000 Mg\n0.167792 0.833895 0.625000 Mg\n0.651085 0.337698 0.125000 Mg\n0.666275 0.329750 0.625000 Mg\n0.651085 0.813386 0.125000 Mg\n0.666275 0.836524 0.625000 Mg\n0.336302 0.175316 0.384690 Mg\n0.336302 0.175316 0.865310 Mg\n0.336302 0.660987 0.384690 Mg\n0.336302 0.660987 0.865310 Mg\n0.839613 0.169807 0.361848 Mg\n0.839613 0.169807 0.888152 Mg\n0.825165 0.662583 0.388443 Mg\n0.825165 0.662583 0.861557 Mg\n0.201591 0.350795 0.125000 Zn\n",
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{
"id": "mp-1105247",
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"structure_string": "Sr4 Ca2 W2 O12\n1.0\n5.838793 0.000000 -0.021440\n0.000000 5.945887 0.000000\n-0.006321 0.000000 8.290879\nSr Ca W O\n4 2 2 12\ndirect\n0.490377 0.041631 0.249079 Sr\n0.990377 0.458369 0.749079 Sr\n0.509623 0.958369 0.750921 Sr\n0.009623 0.541631 0.250921 Sr\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.415311 0.528189 0.727127 O\n0.915311 0.971811 0.227127 O\n0.584689 0.471811 0.272873 O\n0.084689 0.028189 0.772873 O\n0.230692 0.311828 0.458488 O\n0.730692 0.188172 0.958488 O\n0.769308 0.688172 0.541512 O\n0.269308 0.811828 0.041512 O\n0.316215 0.769120 0.451325 O\n0.816215 0.730880 0.951325 O\n0.683785 0.230880 0.548675 O\n0.183785 0.269120 0.048675 O\n",
"nsites": 20,
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"formula_full": "Sr4 Ca2 W2 O12",
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"updated_at": "2021-11-28T01:34:55.710000Z",
"spacegroup": 14
},
{
"id": "mp-1099086",
"created_at": "2022-09-04T14:40:16.035832Z",
"structure_string": "Mg14 Fe1 W1\n1.0\n2.996325 -5.467160 0.000000\n2.996325 5.467160 0.000000\n0.000000 0.000000 9.909125\nMg Fe W\n14 1 1\ndirect\n0.833441 0.166559 0.000000 Mg\n0.333745 0.666255 0.000000 Mg\n0.327962 0.166141 0.500000 Mg\n0.331568 0.169960 0.000000 Mg\n0.833859 0.672038 0.500000 Mg\n0.830040 0.668432 0.000000 Mg\n0.163070 0.335639 0.270928 Mg\n0.163070 0.335639 0.729072 Mg\n0.664361 0.836930 0.270928 Mg\n0.664361 0.836930 0.729072 Mg\n0.677828 0.322172 0.264265 Mg\n0.677828 0.322172 0.735735 Mg\n0.174241 0.825759 0.254704 Mg\n0.174241 0.825759 0.745296 Mg\n0.828030 0.171970 0.500000 Fe\n0.322358 0.677642 0.500000 W\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Fe-Mg-W",
"density": 2.9663841369669806,
"density_atomic": 0.04928377636808287,
"volume": 324.6504464370127,
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"formula_full": "Mg14 Fe1 W1",
"formula_reduced": "Mg14FeW",
"formula_anonymous": "ABC14",
"energy": -40.66888684,
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"updated_at": "2021-11-28T01:34:55.705000Z",
"spacegroup": 38
},
{
"id": "mp-758000",
"created_at": "2022-09-04T14:40:22.781683Z",
"structure_string": "Li24 Fe24 P24 O96\n1.0\n5.062440 -8.768403 0.000000\n5.062440 8.768403 0.000000\n0.000000 0.000000 22.915874\nLi Fe P O\n24 24 24 96\ndirect\n0.002072 0.943323 0.418920 Li\n0.063592 0.563129 0.916442 Li\n0.061237 0.515981 0.256106 Li\n0.018864 0.477882 0.586998 Li\n0.459019 0.981136 0.920331 Li\n0.454744 0.938763 0.589440 Li\n0.056677 0.058749 0.085587 Li\n0.499537 0.936408 0.249775 Li\n0.058749 0.002072 0.252254 Li\n0.436871 0.500463 0.583108 Li\n0.484019 0.545256 0.922773 Li\n0.522118 0.540981 0.253664 Li\n0.477882 0.459019 0.753664 Li\n0.515981 0.454744 0.422773 Li\n0.563129 0.499537 0.083108 Li\n0.941251 0.997928 0.752254 Li\n0.500463 0.063592 0.749775 Li\n0.943323 0.941251 0.585587 Li\n0.545256 0.061237 0.089440 Li\n0.540981 0.018864 0.420331 Li\n0.981136 0.522118 0.086998 Li\n0.938763 0.484019 0.756106 Li\n0.936408 0.436871 0.416442 Li\n0.997928 0.056677 0.918920 Li\n0.143856 0.832695 0.679046 Fe\n0.187147 0.883434 0.009640 Fe\n0.173775 0.787013 0.376770 Fe\n0.116566 0.303713 0.676307 Fe\n0.331176 0.676151 0.818361 Fe\n0.323849 0.655024 0.485027 Fe\n0.344976 0.668824 0.151694 Fe\n0.167305 0.311161 0.345712 Fe\n0.212987 0.386762 0.043437 Fe\n0.613238 0.826225 0.710104 Fe\n0.303713 0.187147 0.842974 Fe\n0.311161 0.143856 0.512379 Fe\n0.688839 0.856144 0.012379 Fe\n0.696287 0.812853 0.342974 Fe\n0.386762 0.173775 0.210104 Fe\n0.787013 0.613238 0.543437 Fe\n0.832695 0.688839 0.845712 Fe\n0.655024 0.331176 0.651694 Fe\n0.676151 0.344976 0.985027 Fe\n0.668824 0.323849 0.318361 Fe\n0.883434 0.696287 0.176307 Fe\n0.826225 0.212987 0.876770 Fe\n0.812853 0.116566 0.509640 Fe\n0.856144 0.167305 0.179046 Fe\n0.172346 0.854895 0.813433 P\n0.129075 0.777604 0.508915 P\n0.217506 0.880520 0.146827 P\n0.119480 0.336986 0.813494 P\n0.327436 0.688606 0.009045 P\n0.145105 0.317451 0.480100 P\n0.311394 0.638831 0.675711 P\n0.361169 0.672564 0.342378 P\n0.222396 0.351470 0.175582 P\n0.648530 0.870925 0.842248 P\n0.336986 0.217506 0.980161 P\n0.317451 0.172346 0.646767 P\n0.682549 0.827654 0.146767 P\n0.663014 0.782494 0.480161 P\n0.351470 0.129075 0.342248 P\n0.777604 0.648530 0.675582 P\n0.638831 0.327436 0.842378 P\n0.688606 0.361169 0.175711 P\n0.854895 0.682549 0.980100 P\n0.672564 0.311394 0.509045 P\n0.880520 0.663014 0.313494 P\n0.782494 0.119480 0.646827 P\n0.870925 0.222396 0.008915 P\n0.827654 0.145105 0.313433 P\n0.017438 0.707175 0.799029 O\n0.132823 0.969657 0.843124 O\n0.012154 0.680875 0.557153 O\n0.128728 0.928821 0.496311 O\n0.176864 0.983362 0.185172 O\n0.070465 0.726272 0.133216 O\n0.079937 0.675911 0.452355 O\n0.261194 0.920583 0.755387 O\n0.286838 0.963877 0.088220 O\n0.158072 0.638538 0.677676 O\n0.211111 0.713167 0.973188 O\n0.274549 0.822605 0.855061 O\n0.212004 0.655739 0.316279 O\n0.290483 0.812671 0.527732 O\n0.036123 0.322960 0.754887 O\n0.338555 0.857093 0.179883 O\n0.142907 0.481463 0.846550 O\n0.016638 0.193502 0.851839 O\n0.079417 0.340611 0.422053 O\n0.030343 0.163166 0.509791 O\n0.255199 0.630317 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"formula_full": "Li24 Fe24 P24 O96",
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{
"id": "mp-1035604",
"created_at": "2022-09-04T14:40:24.850810Z",
"structure_string": "Cs1 Mg14 Fe1 O16\n1.0\n8.854854 0.000000 0.000000\n0.000000 8.854854 0.000000\n0.000000 0.000000 4.369158\nCs Mg Fe O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Cs\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.248386 0.500000 Mg\n0.000000 0.751614 0.500000 Mg\n0.500000 0.232383 0.500000 Mg\n0.500000 0.767617 0.500000 Mg\n0.248386 0.000000 0.500000 Mg\n0.232383 0.500000 0.500000 Mg\n0.751614 0.000000 0.500000 Mg\n0.767617 0.500000 0.500000 Mg\n0.245613 0.245613 0.000000 Mg\n0.245613 0.754387 0.000000 Mg\n0.754387 0.245613 0.000000 Mg\n0.754387 0.754387 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.241305 0.000000 0.000000 O\n0.213995 0.500000 0.000000 O\n0.758695 0.000000 0.000000 O\n0.786005 0.500000 0.000000 O\n0.249479 0.249479 0.500000 O\n0.249479 0.750521 0.500000 O\n0.750521 0.249479 0.500000 O\n0.750521 0.750521 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.241305 0.000000 O\n0.000000 0.758695 0.000000 O\n0.500000 0.213995 0.000000 O\n0.500000 0.786005 0.000000 O\n",
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{
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"structure_string": "Li2 V2 O2 F8\n1.0\n5.401869 0.000000 0.000000\n-2.149768 5.275661 0.000000\n-0.766886 -2.211969 6.633426\nLi V O F\n2 2 2 8\ndirect\n0.667562 0.310831 0.747282 Li\n0.332438 0.689169 0.252718 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.916624 0.018128 0.246747 O\n0.083376 0.981872 0.753253 O\n0.766105 0.151221 0.940815 F\n0.036693 0.690342 0.388215 F\n0.716508 0.663232 0.891326 F\n0.368984 0.189730 0.516913 F\n0.631016 0.810270 0.483087 F\n0.283492 0.336768 0.108674 F\n0.963307 0.309658 0.611785 F\n0.233895 0.848779 0.059185 F\n",
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{
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"structure_string": "Li2 Ti4 O8\n1.0\n0.000000 4.232764 4.232764\n4.232764 0.000000 4.232764\n4.232764 4.232764 0.000000\nLi Ti O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.125000 0.125000 0.125000 Ti\n0.125000 0.125000 0.625000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.337171 0.887610 0.887610 O\n0.362390 0.362390 0.362390 O\n0.912829 0.362390 0.362390 O\n0.887610 0.887610 0.337171 O\n0.887610 0.887610 0.887610 O\n0.362390 0.912829 0.362390 O\n0.362390 0.362390 0.912829 O\n0.887610 0.337171 0.887610 O\n",
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{
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