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{
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"results": [
{
"id": "mp-756536",
"created_at": "2022-09-04T14:44:25.949122Z",
"structure_string": "Li4 Ti6 Mn2 O16\n1.0\n-2.988194 1.725310 4.879865\n2.988273 -5.175971 0.000064\n9.323683 5.383163 0.146646\nLi Ti Mn O\n4 6 2 16\ndirect\n0.116609 0.058248 0.174852 Li\n0.116510 0.558283 0.674862 Li\n0.883467 0.441687 0.325173 Li\n0.883382 0.941722 0.825204 Li\n0.500145 0.000246 0.499872 Ti\n0.499880 0.499793 0.999837 Ti\n0.499993 0.500149 0.500107 Ti\n0.500409 0.000097 0.000134 Ti\n0.000159 0.999840 0.500068 Ti\n0.000287 0.500202 0.000063 Ti\n0.500197 0.750080 0.250067 Mn\n0.499919 0.249956 0.750012 Mn\n0.263115 0.131517 0.394708 O\n0.263080 0.631520 0.894690 O\n0.736764 0.368353 0.105274 O\n0.736792 0.868358 0.605282 O\n0.708717 0.354340 0.604265 O\n0.708782 0.854458 0.104235 O\n0.249788 0.895510 0.604272 O\n0.249796 0.395488 0.104248 O\n0.249787 0.354407 0.604238 O\n0.249835 0.854287 0.104270 O\n0.749956 0.145595 0.895664 O\n0.750173 0.645614 0.395759 O\n0.750047 0.604518 0.895708 O\n0.750014 0.104470 0.395706 O\n0.291145 0.145649 0.895722 O\n0.291250 0.645613 0.395707 O\n",
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{
"id": "mp-1519963",
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"structure_string": "Ba4 Sr4 Ca4 W4 O24\n1.0\n8.509035 0.000000 0.000000\n0.000000 8.577585 0.000000\n0.000000 0.000000 8.540447\nBa Sr Ca W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.744855 0.749791 0.745350 Sr\n0.255145 0.250209 0.745350 Sr\n0.255145 0.749791 0.254650 Sr\n0.744855 0.250209 0.254650 Sr\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.257781 0.251322 0.247212 W\n0.742219 0.748678 0.247212 W\n0.742219 0.251322 0.752788 W\n0.257781 0.748678 0.752788 W\n0.032949 0.205949 0.272820 O\n0.967051 0.794051 0.272820 O\n0.967051 0.205949 0.727180 O\n0.032949 0.794051 0.727180 O\n0.305834 0.030802 0.197506 O\n0.305834 0.969198 0.802494 O\n0.694166 0.969198 0.197506 O\n0.694166 0.030802 0.802494 O\n0.220350 0.285729 0.025758 O\n0.779650 0.285729 0.974242 O\n0.220350 0.714271 0.974242 O\n0.779650 0.714271 0.025758 O\n0.472262 0.319761 0.208576 O\n0.527738 0.680239 0.208576 O\n0.527738 0.319761 0.791424 O\n0.472262 0.680239 0.791424 O\n0.203503 0.466696 0.311638 O\n0.203503 0.533304 0.688362 O\n0.796497 0.533304 0.311638 O\n0.796497 0.466696 0.688362 O\n0.308235 0.197715 0.466163 O\n0.691765 0.197715 0.533837 O\n0.308235 0.802285 0.533837 O\n0.691765 0.802285 0.466163 O\n",
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"density_atomic": 0.06417029694627865,
"volume": 623.3413573492847,
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"formula_full": "Ba4 Sr4 Ca4 W4 O24",
"formula_reduced": "BaSrCaWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:36:41.554000Z",
"spacegroup": 16
},
{
"id": "mp-1034931",
"created_at": "2022-09-04T14:44:41.915838Z",
"structure_string": "Sr1 Mg14 Zn1 O16\n1.0\n8.652150 0.000000 0.000000\n0.000000 8.652150 -0.000000\n0.000000 -0.000000 4.401781\nSr Mg Zn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.248635 0.500000 Mg\n-0.000000 0.751365 0.500000 Mg\n0.500000 0.240498 0.500000 Mg\n0.500000 0.759502 0.500000 Mg\n0.248635 0.000000 0.500000 Mg\n0.240498 0.500000 0.500000 Mg\n0.751365 0.000000 0.500000 Mg\n0.759502 0.500000 0.500000 Mg\n0.244237 0.244237 0.000000 Mg\n0.244237 0.755763 0.000000 Mg\n0.755763 0.244237 -0.000000 Mg\n0.755763 0.755763 -0.000000 Mg\n-0.000000 0.000000 0.000000 Zn\n0.248940 0.000000 0.000000 O\n0.228585 0.500000 0.000000 O\n0.751060 0.000000 -0.000000 O\n0.771415 0.500000 0.000000 O\n0.249707 0.249707 0.500000 O\n0.249707 0.750293 0.500000 O\n0.750293 0.249707 0.500000 O\n0.750293 0.750293 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.248940 0.000000 O\n-0.000000 0.751060 -0.000000 O\n0.500000 0.228585 0.000000 O\n0.500000 0.771415 0.000000 O\n",
"nsites": 32,
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"elements": [
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"density_atomic": 0.09711212707000844,
"volume": 329.51600346402773,
"volume_molar": 6.201224236040695,
"formula_full": "Sr1 Mg14 Zn1 O16",
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"spacegroup": 123
},
{
"id": "mp-841",
"created_at": "2022-09-04T14:44:57.165776Z",
"structure_string": "Li4 O4\n1.0\n1.590181 -2.754274 0.000000\n1.590181 2.754274 0.000000\n0.000000 0.000000 7.703522\nLi O\n4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.649310 O\n0.666667 0.333333 0.149310 O\n0.666667 0.333333 0.350690 O\n0.333333 0.666667 0.850690 O\n",
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"volume": 67.47968169757684,
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"formula_full": "Li4 O4",
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"spacegroup": 194
},
{
"id": "mp-675601",
"created_at": "2022-09-04T14:44:28.787578Z",
"structure_string": "Al12 N4 O12\n1.0\n5.661763 0.000000 0.000000\n0.000000 5.710096 0.000000\n0.000000 0.000000 8.068303\nAl N O\n12 4 12\ndirect\n0.250000 0.507871 0.117251 Al\n0.750000 0.992129 0.617251 Al\n0.250000 0.249381 0.742404 Al\n0.750000 0.492129 0.882749 Al\n0.500000 0.500000 0.500000 Al\n0.250000 0.749381 0.757596 Al\n0.750000 0.750619 0.257596 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.007871 0.382749 Al\n0.750000 0.250619 0.242404 Al\n0.000000 0.500000 0.500000 Al\n0.250000 0.273832 0.508327 N\n0.250000 0.773832 0.991673 N\n0.750000 0.226168 0.008327 N\n0.750000 0.726168 0.491673 N\n0.486825 0.501648 0.746548 O\n0.250000 0.740985 0.512633 O\n0.750000 0.759015 0.012633 O\n0.486825 0.001648 0.753452 O\n0.513175 0.998352 0.246548 O\n0.986825 0.998352 0.246548 O\n0.250000 0.240985 0.987367 O\n0.750000 0.259015 0.487367 O\n0.986825 0.498352 0.253452 O\n0.513175 0.498352 0.253452 O\n0.013175 0.501648 0.746548 O\n0.013175 0.001648 0.753452 O\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Al12 N4 O12",
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"spacegroup": 62
},
{
"id": "mp-1033938",
"created_at": "2022-09-04T14:44:40.915818Z",
"structure_string": "Cs1 K1 Mg14 O15\n1.0\n8.634828 0.000000 0.000000\n0.000000 8.963529 0.000000\n0.000000 0.000000 4.513565\nCs K Mg O\n1 1 14 15\ndirect\n0.113433 0.500000 0.000000 Cs\n0.984311 0.000000 0.000000 K\n0.497419 0.000000 0.000000 Mg\n0.518897 0.500000 0.000000 Mg\n0.992101 0.246309 0.500000 Mg\n0.992101 0.753691 0.500000 Mg\n0.497810 0.250532 0.500000 Mg\n0.497810 0.749468 0.500000 Mg\n0.246289 0.000000 0.500000 Mg\n0.265081 0.500000 0.500000 Mg\n0.741036 0.000000 0.500000 Mg\n0.761106 0.500000 0.500000 Mg\n0.244742 0.215942 0.000000 Mg\n0.244742 0.784058 -0.000000 Mg\n0.753814 0.259513 0.000000 Mg\n0.753814 0.740487 0.000000 Mg\n0.272499 0.000000 0.000000 O\n0.715389 0.000000 0.000000 O\n0.740503 0.500000 0.000000 O\n0.247469 0.257246 0.500000 O\n0.247469 0.742754 0.500000 O\n0.742747 0.249817 0.500000 O\n0.742747 0.750183 0.500000 O\n0.009347 0.000000 0.500000 O\n0.994467 0.500000 0.500000 O\n0.490596 0.000000 0.500000 O\n0.492016 0.500000 0.500000 O\n0.993752 0.257368 0.000000 O\n0.993752 0.742632 0.000000 O\n0.481371 0.268026 0.000000 O\n0.481371 0.731974 0.000000 O\n",
"nsites": 31,
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],
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{
"id": "mp-1199914",
"created_at": "2022-09-04T14:44:54.905568Z",
"structure_string": "Mn8 Se8 O24\n1.0\n8.435391 0.000000 0.000000\n0.000000 5.361043 0.000000\n0.000000 2.195511 13.847595\nMn Se O\n8 8 24\ndirect\n0.580475 0.083857 0.600999 Mn\n0.080475 0.916143 0.899001 Mn\n0.419525 0.916143 0.399001 Mn\n0.919525 0.083857 0.100999 Mn\n0.772566 0.472054 0.750821 Mn\n0.272566 0.527946 0.749179 Mn\n0.227434 0.527946 0.249179 Mn\n0.727434 0.472054 0.250821 Mn\n0.783232 0.635031 0.495241 Se\n0.283232 0.364969 0.004759 Se\n0.216768 0.364969 0.504759 Se\n0.716768 0.635031 0.995241 Se\n0.467278 0.016165 0.813545 Se\n0.967278 0.983835 0.686455 Se\n0.532722 0.983835 0.186455 Se\n0.032722 0.016165 0.313545 Se\n0.441060 0.832778 0.723691 O\n0.941060 0.167222 0.776309 O\n0.558940 0.167222 0.276309 O\n0.058940 0.832778 0.223691 O\n0.547672 0.275176 0.740242 O\n0.047672 0.724824 0.759758 O\n0.452328 0.724824 0.259758 O\n0.952328 0.275176 0.240242 O\n0.279592 0.142269 0.823492 O\n0.779592 0.857731 0.676508 O\n0.720408 0.857731 0.176508 O\n0.220408 0.142269 0.323492 O\n0.755640 0.386674 0.590253 O\n0.255640 0.613326 0.909747 O\n0.244360 0.613326 0.409747 O\n0.744360 0.386674 0.090253 O\n0.609867 0.814437 0.497178 O\n0.109867 0.185563 0.002822 O\n0.390133 0.185563 0.502822 O\n0.890133 0.814437 0.997178 O\n0.758871 0.488048 0.397655 O\n0.258871 0.511952 0.102345 O\n0.241129 0.511952 0.602345 O\n0.741129 0.488048 0.897655 O\n",
"nsites": 40,
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"volume": 626.2227800406959,
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"formula_full": "Mn8 Se8 O24",
"formula_reduced": "MnSeO3",
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"spacegroup": 14
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{
"id": "mp-26219",
"created_at": "2022-09-04T14:44:29.462777Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000005 5.630592 0.000004\n0.000099 0.000006 8.499356\n6.324758 -0.000008 0.000075\nLi Mn P O\n4 4 4 16\ndirect\n0.249997 0.914374 0.253059 Li\n0.750006 0.414346 0.246960 Li\n0.249997 0.585633 0.753042 Li\n0.750008 0.085610 0.746945 Li\n0.250048 0.249945 0.497904 Mn\n0.750008 0.750099 0.502430 Mn\n0.749975 0.750002 0.001928 Mn\n0.250006 0.250239 0.997729 Mn\n0.249997 0.602893 0.252662 P\n0.750001 0.102891 0.247315 P\n0.249993 0.897099 0.752697 P\n0.750004 0.397095 0.747347 P\n0.250002 0.501004 0.051663 O\n0.749991 0.001030 0.448267 O\n0.249991 0.998953 0.551746 O\n0.749999 0.498969 0.948338 O\n0.749996 0.001740 0.045911 O\n0.249998 0.501709 0.454144 O\n0.749997 0.498272 0.545877 O\n0.249997 0.998247 0.954089 O\n0.971781 0.216738 0.247771 O\n0.528218 0.216741 0.247765 O\n0.028157 0.716777 0.252192 O\n0.471838 0.716776 0.252196 O\n0.528187 0.283187 0.747788 O\n0.971820 0.283191 0.747786 O\n0.028219 0.783219 0.752225 O\n0.471772 0.783220 0.752222 O\n",
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{
"id": "mp-752922",
"created_at": "2022-09-04T14:44:50.758333Z",
"structure_string": "Li8 Hf1 O6\n1.0\n5.418504 -2.757530 0.000000\n5.418504 2.757530 0.000000\n4.015170 0.000000 4.565367\nLi Hf O\n8 1 6\ndirect\n0.234361 0.504672 0.896996 Li\n0.103004 0.765639 0.495328 Li\n0.495328 0.103004 0.765639 Li\n0.655384 0.655384 0.655384 Li\n0.344616 0.344616 0.344616 Li\n0.504672 0.896996 0.234361 Li\n0.896996 0.234361 0.504672 Li\n0.765639 0.495328 0.103004 Li\n0.000000 0.000000 0.000000 Hf\n0.091888 0.384144 0.765948 O\n0.234052 0.908112 0.615856 O\n0.615856 0.234052 0.908112 O\n0.384144 0.765948 0.091888 O\n0.765948 0.091888 0.384144 O\n0.908112 0.615856 0.234052 O\n",
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