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{
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{
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"structure_string": "Ba1 La1 Cr1 Mo1 O6\n1.0\n0.000000 4.048606 4.048606\n4.048606 0.000000 4.048606\n4.048606 4.048606 0.000000\nBa La Cr Mo O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Mo\n0.753534 0.753534 0.246466 O\n0.246466 0.753534 0.246466 O\n0.753534 0.246466 0.246466 O\n0.246466 0.246466 0.753534 O\n0.753534 0.246466 0.753534 O\n0.246466 0.753534 0.753534 O\n",
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"formula_full": "Ba1 La1 Cr1 Mo1 O6",
"formula_reduced": "BaLaCrMoO6",
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"updated_at": "2021-11-28T01:35:06.205000Z",
"spacegroup": 216
},
{
"id": "mp-1522332",
"created_at": "2022-09-04T14:42:08.845745Z",
"structure_string": "Na1 Ca1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.038062 -4.038062\n4.038062 0.000000 -4.038062\n4.038062 -4.038062 -0.000000\nNa Ca Nb Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sn\n0.753385 0.246615 0.246615 O\n0.246615 0.753385 0.753385 O\n0.753385 0.246615 0.753385 O\n0.246615 0.753385 0.246615 O\n0.753385 0.753385 0.246615 O\n0.246615 0.246615 0.753385 O\n",
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"formula_full": "Na1 Ca1 Nb1 Sn1 O6",
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{
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"structure_string": "Ca4 La4 Mn4 Nb4 O24\n1.0\n0.000004 5.824630 -0.000012\n-5.631484 -0.000020 8.057840\n5.637415 -0.000013 8.082270\nCa La Mn Nb O\n4 4 4 4 24\ndirect\n0.552620 0.880203 0.367920 Ca\n0.552608 0.380191 0.867916 Ca\n0.947380 0.880195 0.867912 Ca\n0.947383 0.380197 0.367927 Ca\n0.448708 0.120576 0.632096 La\n0.448708 0.620582 0.132091 La\n0.051284 0.120577 0.132095 La\n0.051292 0.620576 0.632093 La\n0.502478 0.749273 0.750418 Mn\n0.997514 0.749272 0.250419 Mn\n0.502448 0.249281 0.250420 Mn\n0.997545 0.249275 0.750425 Mn\n0.502908 0.000604 0.001001 Nb\n0.502905 0.500603 0.500999 Nb\n0.997088 0.000603 0.501000 Nb\n0.997088 0.500601 0.001002 Nb\n0.808396 0.120193 0.329564 O\n0.808399 0.620197 0.829564 O\n0.691596 0.120196 0.829561 O\n0.691596 0.620194 0.329561 O\n0.187398 0.879514 0.670568 O\n0.187396 0.379514 0.170568 O\n0.312603 0.879514 0.170569 O\n0.312600 0.379513 0.670570 O\n0.285787 0.063134 0.378643 O\n0.285785 0.563134 0.878641 O\n0.214216 0.063135 0.878641 O\n0.214208 0.563134 0.378639 O\n0.710099 0.934847 0.621816 O\n0.710100 0.434845 0.121819 O\n0.789997 0.934873 0.121780 O\n0.789895 0.434848 0.621816 O\n0.958496 0.829821 0.430799 O\n0.958497 0.329822 0.930797 O\n0.541495 0.329820 0.430803 O\n0.541497 0.829821 0.930799 O\n0.037024 0.171829 0.567190 O\n0.037023 0.671830 0.067189 O\n0.462972 0.671834 0.567183 O\n0.462968 0.171830 0.067186 O\n",
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"formula_full": "Ca4 La4 Mn4 Nb4 O24",
"formula_reduced": "CaLaMnNbO6",
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"spacegroup": 7
},
{
"id": "mp-1522438",
"created_at": "2022-09-04T14:45:24.860563Z",
"structure_string": "Ba1 Nd1 Eu1 W1 O6\n1.0\n-0.000000 -4.314633 -4.314633\n4.314633 -0.000000 -4.314633\n4.314633 -4.314633 0.000000\nBa Nd Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 -0.000000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n",
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"formula_full": "Ba1 Nd1 Eu1 W1 O6",
"formula_reduced": "BaNdEuWO6",
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"energy": -88.79687705,
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"spacegroup": 216
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{
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"structure_string": "Ba1 La1 Mg1 Nb1 O6\n1.0\n0.000000 4.069453 4.069453\n4.069453 0.000000 4.069453\n4.069453 4.069453 0.000000\nBa La Mg Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n0.746602 0.746602 0.253398 O\n0.746602 0.253398 0.746602 O\n0.253398 0.746602 0.746602 O\n0.746602 0.253398 0.253398 O\n0.253398 0.746602 0.253398 O\n0.253398 0.253398 0.746602 O\n",
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{
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"structure_string": "Sr4 Ca4 Ti4 Mn4 O24\n1.0\n-2.734814 -2.734974 -3.867835\n-2.691176 8.190335 -3.888307\n8.186553 -2.691356 -3.885974\nSr Ca Ti Mn O\n4 4 4 4 24\ndirect\n0.500046 0.623582 0.372114 Sr\n0.999908 0.878300 0.625875 Sr\n0.499979 0.123619 0.872190 Sr\n0.999965 0.378288 0.125779 Sr\n0.500009 0.875419 0.131611 Ca\n0.999981 0.118890 0.374106 Ca\n0.499930 0.375442 0.631668 Ca\n0.999990 0.618888 0.874195 Ca\n0.999974 0.994751 0.002497 Ti\n0.499993 0.247680 0.255207 Ti\n0.000019 0.494687 0.502466 Ti\n0.499954 0.747693 0.755347 Ti\n0.000046 0.750028 0.248448 Mn\n0.500107 0.001937 0.500170 Mn\n0.000040 0.249942 0.748208 Mn\n0.499926 0.501942 0.999946 Mn\n0.000019 0.653880 0.397595 O\n0.499879 0.851998 0.595871 O\n0.999964 0.153875 0.897459 O\n0.499981 0.352055 0.095798 O\n0.999979 0.838360 0.091526 O\n0.499991 0.158387 0.411850 O\n0.000281 0.338311 0.591397 O\n0.500155 0.658548 0.911863 O\n0.249743 0.886901 0.861405 O\n0.749955 0.106578 0.142273 O\n0.249583 0.387027 0.361394 O\n0.750097 0.606569 0.642303 O\n0.250013 0.106579 0.142272 O\n0.750398 0.387009 0.361394 O\n0.250093 0.606162 0.642783 O\n0.750218 0.886926 0.861399 O\n0.250326 0.611162 0.140216 O\n0.750206 0.898791 0.352650 O\n0.250427 0.111145 0.640232 O\n0.750234 0.398772 0.852673 O\n0.249779 0.898795 0.352659 O\n0.749496 0.111181 0.640252 O\n0.249705 0.398766 0.852693 O\n0.749611 0.611139 0.140213 O\n",
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{
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"structure_string": "Ba1 Sr1 Ca1 W1 O6\n1.0\n2.979674 5.127691 0.000000\n-2.979674 5.127691 0.000000\n0.000000 3.438129 4.900562\nBa Sr Ca W O\n1 1 1 1 6\ndirect\n0.750569 0.750569 0.246107 Ba\n0.247912 0.247912 0.768091 Sr\n0.000897 0.000897 0.500054 Ca\n0.500258 0.500258 0.999191 W\n0.298278 0.780144 0.177195 O\n0.236488 0.682603 0.803646 O\n0.682603 0.236488 0.803646 O\n0.780144 0.298278 0.177195 O\n0.274620 0.274620 0.311455 O\n0.728231 0.728231 0.713418 O\n",
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{
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"structure_string": "Ba1 Sr1 Ca1 Mn1 O6\n1.0\n0.000000 -4.165160 -4.165160\n4.165160 0.000000 -4.165160\n4.165160 -4.165160 -0.000000\nBa Sr Ca Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.729062 0.270938 0.270938 O\n0.270938 0.729062 0.729062 O\n0.729062 0.270938 0.729062 O\n0.270938 0.729062 0.270938 O\n0.729062 0.729062 0.270938 O\n0.270938 0.270938 0.729062 O\n",
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{
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