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"results": [
{
"id": "mp-1522247",
"created_at": "2022-09-04T14:48:13.787545Z",
"structure_string": "K2 Gd2 Sn2 W2 O12\n1.0\n5.981031 0.000000 0.000000\n0.000000 5.981031 0.000000\n0.000000 0.000000 8.426343\nK Gd Sn W O\n2 2 2 2 12\ndirect\n-0.000000 -0.000000 0.250000 K\n-0.000000 0.000000 0.750000 K\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.000000 Gd\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.275763 0.761717 0.000000 O\n0.724237 0.238283 0.000000 O\n0.238283 0.724237 0.500000 O\n0.761717 0.275763 0.500000 O\n0.724237 0.761717 0.000000 O\n0.761717 0.724237 0.500000 O\n0.275763 0.238283 0.000000 O\n0.238283 0.275763 0.500000 O\n0.500000 0.000000 0.769097 O\n-0.000000 0.500000 0.730903 O\n0.500000 0.000000 0.230903 O\n-0.000000 0.500000 0.269097 O\n",
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"density": 6.5543247038518535,
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"volume": 301.4333083872846,
"volume_molar": 9.076369064303584,
"formula_full": "K2 Gd2 Sn2 W2 O12",
"formula_reduced": "KGdSnWO6",
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"spacegroup": 131
},
{
"id": "mp-6624",
"created_at": "2022-09-04T14:48:13.804433Z",
"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n1.969328 5.296085 0.000000\n-1.969328 5.296085 0.000000\n0.000000 4.297659 5.224708\nTb Fe Si C\n2 2 2 1\ndirect\n0.059085 0.059085 0.205854 Tb\n0.940915 0.940915 0.794146 Tb\n0.299503 0.299503 0.594602 Fe\n0.700497 0.700497 0.405398 Fe\n0.336591 0.336591 0.219143 Si\n0.663409 0.663409 0.780857 Si\n0.500000 0.500000 0.500000 C\n",
"nsites": 7,
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"elements": [
"Tb",
"Fe",
"Si",
"C"
],
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"density": 7.583527437918212,
"density_atomic": 0.06422927477841771,
"volume": 108.98457166376316,
"volume_molar": 9.376006160392702,
"formula_full": "Tb2 Fe2 Si2 C1",
"formula_reduced": "Tb2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
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"updated_at": "2021-11-28T01:38:32.479000Z",
"spacegroup": 12
},
{
"id": "mp-1073405",
"created_at": "2022-09-04T14:48:13.805884Z",
"structure_string": "Mg4 Si8\n1.0\n3.697401 0.000000 0.000000\n1.768916 5.029814 0.000000\n0.288636 0.474874 11.931850\nMg Si\n4 8\ndirect\n0.408921 0.069826 0.864419 Mg\n0.056611 0.706900 0.072556 Mg\n0.463200 0.786527 0.307057 Mg\n0.730649 0.447766 0.681942 Mg\n0.738881 0.303805 0.193809 Si\n0.107343 0.667187 0.826072 Si\n0.068696 0.829836 0.532039 Si\n0.759535 0.184618 0.389277 Si\n0.700092 0.460318 0.928095 Si\n0.328110 0.131571 0.096655 Si\n0.168289 0.381013 0.480137 Si\n0.470009 0.030405 0.628173 Si\n",
"nsites": 12,
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"elements": [
"Mg",
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],
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"density": 2.40890240941747,
"density_atomic": 0.05407854288842032,
"volume": 221.89946990175886,
"volume_molar": 11.135915352648128,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.64538446,
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"updated_at": "2021-11-28T01:40:04.934000Z",
"spacegroup": 1
},
{
"id": "mp-754572",
"created_at": "2022-09-04T14:48:13.812048Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n7.694702 0.000000 0.000000\n0.000000 7.694702 0.000000\n0.000000 0.000000 14.695425\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.331799 Ca\n0.000000 0.000000 0.668201 Ca\n0.500000 0.500000 0.168201 Ca\n0.500000 0.500000 0.831799 Ca\n0.205176 0.794824 0.179748 I\n0.205176 0.794824 0.820252 I\n0.182359 0.817641 0.500000 I\n0.317641 0.317641 0.000000 I\n0.294824 0.294824 0.320252 I\n0.294824 0.294824 0.679748 I\n0.705176 0.705176 0.320252 I\n0.705176 0.705176 0.679748 I\n0.682359 0.682359 0.000000 I\n0.817641 0.182359 0.500000 I\n0.794824 0.205176 0.179748 I\n0.794824 0.205176 0.820252 I\n",
"nsites": 18,
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"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.7364228330292395,
"density_atomic": 0.02068743964836353,
"volume": 870.0931727635942,
"volume_molar": 29.110130892763124,
"formula_full": "Ba2 Ca4 I12",
"formula_reduced": "BaCa2I6",
"formula_anonymous": "AB2C6",
"energy": -64.29164419,
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"updated_at": "2021-11-28T01:38:40.930000Z",
"spacegroup": 136
},
{
"id": "mp-1200737",
"created_at": "2022-09-04T14:48:13.818108Z",
"structure_string": "Cr4 C128 O20\n1.0\n16.269150 0.000000 0.000000\n0.000000 9.246097 0.000000\n0.000000 8.538475 17.531859\nCr C O\n4 128 20\ndirect\n0.478855 0.850789 0.504804 Cr\n0.021145 0.850789 0.004804 Cr\n0.521145 0.149211 0.495196 Cr\n0.978855 0.149211 0.995196 Cr\n0.370318 0.902827 0.695427 C\n0.129682 0.902827 0.195427 C\n0.629682 0.097173 0.304573 C\n0.870318 0.097173 0.804573 C\n0.389102 0.774298 0.766125 C\n0.110898 0.774298 0.266125 C\n0.610898 0.225702 0.233875 C\n0.889102 0.225702 0.733875 C\n0.457820 0.672709 0.785622 C\n0.042180 0.672709 0.285622 C\n0.542180 0.327291 0.214378 C\n0.957820 0.327291 0.714378 C\n0.468067 0.556980 0.851267 C\n0.031933 0.556980 0.351267 C\n0.531933 0.443020 0.148733 C\n0.968067 0.443020 0.648733 C\n0.414827 0.528175 0.907533 C\n0.085173 0.528175 0.407533 C\n0.585173 0.471825 0.092467 C\n0.914827 0.471825 0.592467 C\n0.347943 0.602056 0.903624 C\n0.152057 0.602056 0.403624 C\n0.652057 0.397944 0.096376 C\n0.847943 0.397944 0.596376 C\n0.327842 0.733666 0.833436 C\n0.172158 0.733666 0.333436 C\n0.672158 0.266334 0.166564 C\n0.827842 0.266334 0.666564 C\n0.260875 0.832287 0.814052 C\n0.239125 0.832287 0.314052 C\n0.739125 0.167713 0.185948 C\n0.760875 0.167713 0.685948 C\n0.236785 0.958143 0.747774 C\n0.263215 0.958143 0.247774 C\n0.763215 0.041857 0.252226 C\n0.736785 0.041857 0.752226 C\n0.165232 0.054042 0.730995 C\n0.334768 0.054042 0.230995 C\n0.834768 0.945958 0.269005 C\n0.665232 0.945958 0.769005 C\n0.154401 0.162645 0.663561 C\n0.345599 0.162645 0.163561 C\n0.845599 0.837355 0.336439 C\n0.654401 0.837355 0.836439 C\n0.207687 0.200301 0.606624 C\n0.292313 0.200301 0.106624 C\n0.792313 0.799699 0.393376 C\n0.707687 0.799699 0.893376 C\n0.274443 0.124601 0.612427 C\n0.225557 0.124601 0.112427 C\n0.725557 0.875399 0.387573 C\n0.774443 0.875399 0.887573 C\n0.299130 0.997755 0.681634 C\n0.200870 0.997755 0.181634 C\n0.700870 0.002245 0.318366 C\n0.799130 0.002245 0.818366 C\n0.287419 0.189105 0.383628 C\n0.212581 0.189105 0.883628 C\n0.712581 0.810895 0.616372 C\n0.787419 0.810895 0.116372 C\n0.294204 0.340665 0.320482 C\n0.205796 0.340665 0.820482 C\n0.705796 0.659335 0.679518 C\n0.794204 0.659335 0.179518 C\n0.361960 0.443825 0.297777 C\n0.138040 0.443825 0.797777 C\n0.638040 0.556175 0.702223 C\n0.861960 0.556175 0.202223 C\n0.363849 0.577378 0.238368 C\n0.136151 0.577378 0.738368 C\n0.636151 0.422622 0.761632 C\n0.863849 0.422622 0.261632 C\n0.298690 0.622900 0.192532 C\n0.201310 0.622900 0.692532 C\n0.701310 0.377100 0.807468 C\n0.798690 0.377100 0.307468 C\n0.229743 0.553184 0.200215 C\n0.270257 0.553184 0.700215 C\n0.770257 0.446816 0.799785 C\n0.729743 0.446816 0.299785 C\n0.219871 0.404451 0.265402 C\n0.280129 0.404451 0.765402 C\n0.780129 0.595549 0.734598 C\n0.719871 0.595549 0.234598 C\n0.152653 0.305993 0.288881 C\n0.347347 0.305993 0.788881 C\n0.847347 0.694007 0.711119 C\n0.652653 0.694007 0.211119 C\n0.137621 0.163568 0.351271 C\n0.362379 0.163568 0.851271 C\n0.862379 0.836432 0.648729 C\n0.637621 0.836432 0.148729 C\n0.064280 0.071414 0.373928 C\n0.435720 0.071414 0.873928 C\n0.935720 0.928586 0.626072 C\n0.564280 0.928586 0.126072 C\n0.068243 0.944567 0.436390 C\n0.431757 0.944567 0.936390 C\n0.931757 0.055433 0.563610 C\n0.568243 0.055433 0.063610 C\n0.131375 0.878089 0.483247 C\n0.368625 0.878089 0.983247 C\n0.868625 0.121911 0.516753 C\n0.631375 0.121911 0.016753 C\n0.199214 0.953623 0.466873 C\n0.300786 0.953623 0.966873 C\n0.800786 0.046377 0.533127 C\n0.699214 0.046377 0.033127 C\n0.214367 0.098714 0.402960 C\n0.285633 0.098714 0.902960 C\n0.785633 0.901286 0.597040 C\n0.714367 0.901286 0.097040 C\n0.496474 0.459982 0.606425 C\n0.003526 0.459982 0.106425 C\n0.503526 0.540018 0.393575 C\n0.996474 0.540018 0.893575 C\n0.468154 0.600538 0.436133 C\n0.031846 0.600538 0.936133 C\n0.531846 0.399462 0.563867 C\n0.968154 0.399462 0.063867 C\n0.424696 0.935384 0.627690 C\n0.075304 0.935384 0.127690 C\n0.575304 0.064616 0.372310 C\n0.924696 0.064616 0.872310 C\n0.362770 0.118017 0.429851 C\n0.137230 0.118017 0.929851 C\n0.637230 0.881983 0.570149 C\n0.862770 0.881983 0.070149 C\n0.445301 0.630025 0.488620 O\n0.054699 0.630025 0.988620 O\n0.554699 0.369975 0.511380 O\n0.945301 0.369975 0.011380 O\n0.427476 0.826028 0.604780 O\n0.072524 0.826028 0.104780 O\n0.572524 0.173972 0.395220 O\n0.927476 0.173972 0.895220 O\n0.375145 0.967487 0.451531 O\n0.124855 0.967487 0.951531 O\n0.624855 0.032513 0.548469 O\n0.875145 0.032513 0.048469 O\n0.461730 0.070744 0.596843 O\n0.038270 0.070744 0.096843 O\n0.538270 0.929256 0.403157 O\n0.961730 0.929256 0.903157 O\n0.410784 0.212180 0.442944 O\n0.089216 0.212180 0.942944 O\n0.589216 0.787820 0.557056 O\n0.910784 0.787820 0.057056 O\n",
"nsites": 152,
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"elements": [
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"C",
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],
"chemical_system": "C-Cr-O",
"density": 1.300438434072766,
"density_atomic": 0.05763579794367206,
"volume": 2637.249858994767,
"volume_molar": 10.448611756681998,
"formula_full": "Cr4 C128 O20",
"formula_reduced": "CrC32O5",
"formula_anonymous": "AB5C32",
"energy": -1192.0856276000002,
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"updated_at": "2021-11-28T01:40:02.561000Z",
"spacegroup": 14
},
{
"id": "mp-720110",
"created_at": "2022-09-04T14:48:13.833371Z",
"structure_string": "K4 Re12 Os12 Se32 Cl24\n1.0\n-13.227726 0.000000 0.000000\n0.021557 -13.246131 0.000000\n0.000148 0.000309 13.270078\nK Re Os Se Cl\n4 12 12 32 24\ndirect\n0.999598 0.000011 0.999622 K\n0.500545 0.499867 0.999645 K\n0.500150 0.000178 0.500439 K\n0.999907 0.500064 0.500155 K\n0.868370 0.541454 0.968426 Re\n0.631683 0.958568 0.968438 Re\n0.531709 0.131676 0.958475 Re\n0.968340 0.368311 0.958426 Re\n0.041781 0.531481 0.868530 Re\n0.458357 0.968481 0.868574 Re\n0.531462 0.368543 0.541534 Re\n0.631277 0.541604 0.531440 Re\n0.868634 0.958315 0.531353 Re\n0.131408 0.041498 0.468532 Re\n0.368533 0.458375 0.468623 Re\n0.031483 0.868407 0.458417 Re\n0.457895 0.532196 0.631790 Os\n0.041770 0.968839 0.632112 Os\n0.968521 0.131260 0.541445 Os\n0.468457 0.631449 0.458490 Os\n0.958029 0.032171 0.368202 Os\n0.541640 0.468877 0.367891 Os\n0.959077 0.468742 0.131675 Os\n0.541055 0.031221 0.131745 Os\n0.032168 0.631224 0.042169 Os\n0.467886 0.868773 0.042200 Os\n0.368286 0.041177 0.032165 Os\n0.131779 0.458820 0.032182 Os\n0.195509 0.616548 0.945056 Se\n0.304512 0.883405 0.945065 Se\n0.945067 0.695721 0.884393 Se\n0.555048 0.804223 0.884424 Se\n0.363190 0.135589 0.865425 Se\n0.136863 0.364370 0.865421 Se\n0.617425 0.056170 0.804485 Se\n0.882685 0.443772 0.804400 Se\n0.884683 0.055887 0.695076 Se\n0.615352 0.444957 0.695833 Se\n0.134640 0.135386 0.636509 Se\n0.364224 0.365269 0.636958 Se\n0.554287 0.695084 0.616726 Se\n0.945037 0.805123 0.617864 Se\n0.305718 0.617427 0.556791 Se\n0.194761 0.883165 0.557342 Se\n0.805781 0.117367 0.443185 Se\n0.694748 0.383260 0.442590 Se\n0.054371 0.195057 0.383305 Se\n0.444947 0.305194 0.382140 Se\n0.634629 0.635432 0.363392 Se\n0.864238 0.865238 0.362892 Se\n0.115286 0.944740 0.304114 Se\n0.384754 0.556114 0.304858 Se\n0.383272 0.944173 0.194457 Se\n0.116788 0.555800 0.194459 Se\n0.865384 0.635302 0.135942 Se\n0.634665 0.864649 0.135962 Se\n0.443748 0.194168 0.117084 Se\n0.056299 0.305764 0.117063 Se\n0.695225 0.116890 0.056853 Se\n0.804798 0.383079 0.056808 Se\n0.799388 0.904293 0.923386 Cl\n0.700780 0.595907 0.923809 Cl\n0.576216 0.299020 0.903018 Cl\n0.923772 0.200946 0.902997 Cl\n0.097038 0.924002 0.799185 Cl\n0.403235 0.574970 0.799592 Cl\n0.095889 0.574916 0.700219 Cl\n0.404583 0.925215 0.700629 Cl\n0.575625 0.200843 0.596049 Cl\n0.924402 0.298381 0.596111 Cl\n0.799229 0.595892 0.575410 Cl\n0.701057 0.902662 0.574997 Cl\n0.299428 0.095768 0.424164 Cl\n0.200860 0.402808 0.424593 Cl\n0.424254 0.798875 0.403391 Cl\n0.075751 0.700348 0.403325 Cl\n0.597281 0.075741 0.298311 Cl\n0.903064 0.424361 0.297861 Cl\n0.596384 0.423756 0.201126 Cl\n0.903835 0.075190 0.200685 Cl\n0.075076 0.799017 0.095778 Cl\n0.424935 0.700980 0.095804 Cl\n0.299341 0.403020 0.075210 Cl\n0.200842 0.097184 0.074778 Cl\n",
"nsites": 84,
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"elements": [
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"Re",
"Os",
"Se",
"Cl"
],
"chemical_system": "Cl-K-Os-Re-Se",
"density": 5.749943482725084,
"density_atomic": 0.036126972987757446,
"volume": 2325.132527113898,
"volume_molar": 16.669375433255247,
"formula_full": "K4 Re12 Os12 Se32 Cl24",
"formula_reduced": "KRe3Os3(Se4Cl3)2",
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"energy": -528.50761696,
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"updated_at": "2021-11-28T01:38:41.708000Z",
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},
{
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