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{
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{
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"formula_full": "Ba1 Mg3 O4",
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{
"id": "mp-1179716",
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"structure_string": "Rb4 H4 C4 O12\n1.0\n3.435413 4.668937 0.000000\n-3.435413 4.668937 0.000000\n0.000000 3.297989 10.805400\nRb H C O\n4 4 4 12\ndirect\n0.974806 0.303929 0.864556 Rb\n0.696071 0.025194 0.635444 Rb\n0.025194 0.696071 0.135444 Rb\n0.303929 0.974806 0.364556 Rb\n0.371001 0.579569 0.649254 H\n0.420431 0.628999 0.850746 H\n0.628999 0.420431 0.350746 H\n0.579569 0.371001 0.149254 H\n0.087870 0.455660 0.549879 C\n0.544340 0.912130 0.950121 C\n0.912130 0.544340 0.450121 C\n0.455660 0.087870 0.049879 C\n0.165149 0.228021 0.587157 O\n0.771979 0.834851 0.912843 O\n0.834851 0.771979 0.412843 O\n0.228021 0.165149 0.087157 O\n0.136362 0.625771 0.586323 O\n0.374229 0.863638 0.913677 O\n0.863638 0.374229 0.413677 O\n0.625771 0.136362 0.086323 O\n0.526977 0.554452 0.683462 O\n0.445548 0.473023 0.816538 O\n0.473023 0.445548 0.316538 O\n0.554452 0.526977 0.183462 O\n",
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"spacegroup": 15
},
{
"id": "mp-1206029",
"created_at": "2022-09-04T14:46:11.419322Z",
"structure_string": "Ba2 Tm1 Ta1 O6\n1.0\n0.000000 4.234160 4.234160\n4.234160 0.000000 4.234160\n4.234160 4.234160 0.000000\nBa Tm Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ta\n0.762181 0.237819 0.237819 O\n0.237819 0.762181 0.762181 O\n0.237819 0.762181 0.237819 O\n0.762181 0.237819 0.762181 O\n0.237819 0.237819 0.762181 O\n0.762181 0.762181 0.237819 O\n",
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"density_atomic": 0.06586704940587171,
"volume": 151.8209801441106,
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"formula_full": "Ba2 Tm1 Ta1 O6",
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"energy": -86.00185049000001,
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"updated_at": "2021-11-28T01:37:22.404000Z",
"spacegroup": 225
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{
"id": "mp-557591",
"created_at": "2022-09-04T14:45:57.299471Z",
"structure_string": "Si24 O48\n1.0\n10.795491 0.000000 0.000000\n0.000000 10.795491 0.000000\n0.000000 0.000000 10.795491\nSi O\n24 48\ndirect\n0.250000 0.136956 0.363044 Si\n0.136956 0.363044 0.750000 Si\n0.863044 0.363044 0.250000 Si\n0.363044 0.750000 0.863044 Si\n0.250000 0.136956 0.636956 Si\n0.136956 0.363044 0.250000 Si\n0.363044 0.250000 0.863044 Si\n0.636956 0.250000 0.863044 Si\n0.363044 0.250000 0.136956 Si\n0.863044 0.363044 0.750000 Si\n0.136956 0.636956 0.750000 Si\n0.863044 0.636956 0.250000 Si\n0.750000 0.863044 0.363044 Si\n0.750000 0.136956 0.636956 Si\n0.136956 0.636956 0.250000 Si\n0.250000 0.863044 0.636956 Si\n0.636956 0.750000 0.136956 Si\n0.750000 0.136956 0.363044 Si\n0.750000 0.863044 0.636956 Si\n0.863044 0.636956 0.750000 Si\n0.363044 0.750000 0.136956 Si\n0.250000 0.863044 0.363044 Si\n0.636956 0.250000 0.136956 Si\n0.636956 0.750000 0.863044 Si\n0.350093 0.149907 0.750000 O\n0.850093 0.750000 0.350093 O\n0.649907 0.149907 0.750000 O\n0.500000 0.314959 0.148265 O\n0.350093 0.149907 0.250000 O\n0.000000 0.351735 0.814959 O\n0.000000 0.648265 0.814959 O\n0.500000 0.685041 0.851735 O\n0.750000 0.350093 0.149907 O\n0.649907 0.149907 0.250000 O\n0.350093 0.850093 0.750000 O\n0.350093 0.850093 0.250000 O\n0.185041 0.000000 0.351735 O\n0.351735 0.814959 0.000000 O\n0.250000 0.649907 0.850093 O\n0.314959 0.148265 0.500000 O\n0.000000 0.351735 0.185041 O\n0.649907 0.850093 0.250000 O\n0.851735 0.500000 0.314959 O\n0.351735 0.185041 0.000000 O\n0.500000 0.314959 0.851735 O\n0.850093 0.250000 0.649907 O\n0.850093 0.750000 0.649907 O\n0.685041 0.851735 0.500000 O\n0.500000 0.685041 0.148265 O\n0.149907 0.750000 0.649907 O\n0.148265 0.500000 0.685041 O\n0.750000 0.350093 0.850093 O\n0.648265 0.185041 0.000000 O\n0.648265 0.814959 0.000000 O\n0.750000 0.649907 0.149907 O\n0.314959 0.851735 0.500000 O\n0.000000 0.648265 0.185041 O\n0.685041 0.148265 0.500000 O\n0.149907 0.250000 0.350093 O\n0.814959 0.000000 0.351735 O\n0.250000 0.649907 0.149907 O\n0.149907 0.750000 0.350093 O\n0.750000 0.649907 0.850093 O\n0.185041 0.000000 0.648265 O\n0.649907 0.850093 0.750000 O\n0.250000 0.350093 0.850093 O\n0.814959 0.000000 0.648265 O\n0.851735 0.500000 0.685041 O\n0.148265 0.500000 0.314959 O\n0.149907 0.250000 0.649907 O\n0.850093 0.250000 0.350093 O\n0.250000 0.350093 0.149907 O\n",
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"volume": 1258.1348693553516,
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"formula_full": "Si24 O48",
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"updated_at": "2021-11-28T01:37:13.532000Z",
"spacegroup": 223
},
{
"id": "mp-1517107",
"created_at": "2022-09-04T14:44:43.992137Z",
"structure_string": "Ba1 Ca1 Tb1 Sb1 O6\n1.0\n-0.000000 -4.222967 -4.222967\n4.222967 -0.000000 -4.222967\n4.222967 -4.222967 -0.000000\nBa Ca Tb Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 -0.000000 Sb\n0.763414 0.236586 0.236586 O\n0.236586 0.763414 0.763414 O\n0.763414 0.236586 0.763414 O\n0.236586 0.763414 0.236586 O\n0.763414 0.763414 0.236586 O\n0.236586 0.236586 0.763414 O\n",
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"formula_full": "Ba1 Ca1 Tb1 Sb1 O6",
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{
"id": "mp-780394",
"created_at": "2022-09-04T14:46:05.126501Z",
"structure_string": "Li4 Mn12 P12 O44\n1.0\n9.150704 0.000000 0.000000\n0.000000 8.073261 0.000000\n0.000000 1.247739 11.555956\nLi Mn P O\n4 12 12 44\ndirect\n0.744784 0.885980 0.505209 Li\n0.755216 0.885980 0.005209 Li\n0.244784 0.114020 0.994791 Li\n0.255216 0.114020 0.494791 Li\n0.373443 0.929645 0.759706 Mn\n0.126557 0.929645 0.259706 Mn\n0.350387 0.543228 0.931993 Mn\n0.397419 0.563289 0.647022 Mn\n0.149613 0.543228 0.431993 Mn\n0.897419 0.436711 0.852978 Mn\n0.102581 0.563289 0.147022 Mn\n0.850387 0.456772 0.568007 Mn\n0.602581 0.436711 0.352978 Mn\n0.649613 0.456772 0.068007 Mn\n0.873443 0.070355 0.740294 Mn\n0.626557 0.070355 0.240294 Mn\n0.068480 0.788970 0.895961 P\n0.068965 0.774848 0.645684 P\n0.431520 0.788970 0.395961 P\n0.674199 0.685209 0.786240 P\n0.431035 0.774848 0.145684 P\n0.825801 0.685209 0.286240 P\n0.174199 0.314791 0.713760 P\n0.568965 0.225152 0.854316 P\n0.325801 0.314791 0.213760 P\n0.568480 0.211030 0.604039 P\n0.931035 0.225152 0.354316 P\n0.931520 0.211030 0.104039 P\n0.000006 0.960685 0.883890 O\n0.991621 0.940794 0.620866 O\n0.499994 0.960685 0.383890 O\n0.722702 0.866017 0.770421 O\n0.237690 0.788644 0.896661 O\n0.508379 0.940794 0.120866 O\n0.777298 0.866017 0.270421 O\n0.237344 0.783242 0.647405 O\n0.262310 0.788644 0.396661 O\n0.500180 0.678287 0.783780 O\n0.021553 0.696137 0.779489 O\n0.262656 0.783242 0.147405 O\n0.493650 0.673366 0.496180 O\n0.729947 0.599798 0.906325 O\n0.014760 0.649597 0.564782 O\n0.999820 0.678287 0.283780 O\n0.478447 0.696137 0.279489 O\n0.734632 0.580428 0.692514 O\n0.006350 0.673366 0.996180 O\n0.770053 0.599798 0.406325 O\n0.485240 0.649597 0.064782 O\n0.765368 0.580428 0.192514 O\n0.234632 0.419572 0.807486 O\n0.514760 0.350403 0.935218 O\n0.229947 0.400202 0.593675 O\n0.993650 0.326634 0.003820 O\n0.265368 0.419572 0.307486 O\n0.521553 0.303863 0.720511 O\n0.000180 0.321713 0.716220 O\n0.985240 0.350403 0.435218 O\n0.270053 0.400202 0.093675 O\n0.506350 0.326634 0.503820 O\n0.737344 0.216758 0.852595 O\n0.978447 0.303863 0.220511 O\n0.499820 0.321713 0.216220 O\n0.737690 0.211356 0.603339 O\n0.762656 0.216758 0.352595 O\n0.222702 0.133983 0.729579 O\n0.491621 0.059206 0.879134 O\n0.762310 0.211356 0.103339 O\n0.277298 0.133983 0.229579 O\n0.500006 0.039315 0.616110 O\n0.008379 0.059206 0.379134 O\n0.999994 0.039315 0.116110 O\n",
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"formula_full": "Li4 Mn12 P12 O44",
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{
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"structure_string": "Na2 B2 F8\n1.0\n3.149709 -3.466743 0.000000\n3.149709 3.466743 0.000000\n0.000000 0.000000 6.917624\nNa B F\n2 2 8\ndirect\n0.347603 0.347603 0.250000 Na\n0.652397 0.652397 0.750000 Na\n0.842532 0.842532 0.250000 B\n0.157468 0.157468 0.750000 B\n0.709851 0.709851 0.415886 F\n0.290149 0.290149 0.915886 F\n0.709851 0.709851 0.084114 F\n0.290149 0.290149 0.584114 F\n0.860586 0.192479 0.750000 F\n0.139414 0.807521 0.250000 F\n0.192479 0.860586 0.750000 F\n0.807521 0.139414 0.250000 F\n",
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{
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{
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{
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}