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{
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"results": [
{
"id": "mp-1518756",
"created_at": "2022-09-04T14:47:29.948646Z",
"structure_string": "Ba8 Sr4 W4 O24\n1.0\n8.724922 0.000000 0.000000\n0.000000 8.724922 0.000000\n0.000000 0.000000 8.724922\nBa Sr W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Sr\n0.750000 0.250000 0.250000 Sr\n0.250000 0.750000 0.250000 Sr\n0.250000 0.250000 0.750000 Sr\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.225184 0.278043 0.472014 O\n0.225184 0.721957 0.527986 O\n0.774816 0.278043 0.527986 O\n0.774816 0.721957 0.472014 O\n0.278043 0.472014 0.225184 O\n0.721957 0.527986 0.225184 O\n0.278043 0.527986 0.774816 O\n0.721957 0.472014 0.774816 O\n0.472014 0.225184 0.278043 O\n0.527986 0.225184 0.721957 O\n0.527986 0.774816 0.278043 O\n0.472014 0.774816 0.721957 O\n0.274816 0.221957 0.027986 O\n0.274816 0.778043 0.972014 O\n0.725184 0.221957 0.972014 O\n0.725184 0.778043 0.027986 O\n0.221957 0.027986 0.274816 O\n0.778043 0.972014 0.274816 O\n0.221957 0.972014 0.725184 O\n0.778043 0.027986 0.725184 O\n0.027986 0.274816 0.221957 O\n0.972014 0.274816 0.778043 O\n0.972014 0.725184 0.221957 O\n0.027986 0.725184 0.778043 O\n",
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"spacegroup": 201
},
{
"id": "mp-8081",
"created_at": "2022-09-04T14:47:27.407445Z",
"structure_string": "Na4 Sn2 F12\n1.0\n5.156992 0.000000 0.000000\n0.000000 5.156992 0.000000\n0.000000 0.000000 10.280263\nNa Sn F\n4 2 12\ndirect\n0.000000 0.000000 0.336507 Na\n0.500000 0.500000 0.836507 Na\n0.000000 0.000000 0.663493 Na\n0.500000 0.500000 0.163493 Na\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.724406 0.724406 0.000000 F\n0.775594 0.224406 0.500000 F\n0.224406 0.775594 0.500000 F\n0.275594 0.275594 0.000000 F\n0.685463 0.685463 0.355537 F\n0.314537 0.314537 0.355537 F\n0.314537 0.314537 0.644463 F\n0.185463 0.814537 0.144463 F\n0.814537 0.185463 0.144463 F\n0.814537 0.185463 0.855537 F\n0.185463 0.814537 0.855537 F\n0.685463 0.685463 0.644463 F\n",
"nsites": 18,
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"elements": [
"Na",
"Sn",
"F"
],
"chemical_system": "F-Na-Sn",
"density": 3.38522616089493,
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"volume": 273.39913786828424,
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"formula_full": "Na4 Sn2 F12",
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"energy": -90.16011091,
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"updated_at": "2021-11-28T01:38:07.418000Z",
"spacegroup": 136
},
{
"id": "mp-1233788",
"created_at": "2022-09-04T14:47:24.576895Z",
"structure_string": "Mg1 Si6 O12\n1.0\n4.538382 0.101505 2.808209\n2.538731 7.064616 2.172652\n1.250615 -0.973092 9.472244\nMg Si O\n1 6 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.478128 0.281723 0.302507 Si\n0.285603 0.041132 0.164417 Si\n0.521872 0.718277 0.697493 Si\n0.714397 0.958868 0.835583 Si\n0.908052 0.282782 0.717976 Si\n0.091948 0.717218 0.282024 Si\n0.623750 0.501918 0.750121 O\n0.756035 0.140190 0.711549 O\n0.376250 0.498082 0.249879 O\n0.243965 0.859810 0.288451 O\n0.272869 0.263987 0.514669 O\n0.966295 0.219702 0.866902 O\n0.092434 0.820972 0.802204 O\n0.576220 0.848602 0.784802 O\n0.907566 0.179028 0.197796 O\n0.423780 0.151398 0.215198 O\n0.033705 0.780298 0.133098 O\n0.727131 0.736013 0.485331 O\n",
"nsites": 19,
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"formula_full": "Mg1 Si6 O12",
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"updated_at": "2021-11-28T01:38:02.022000Z",
"spacegroup": 2
},
{
"id": "mp-1244987",
"created_at": "2022-09-04T14:47:27.348553Z",
"structure_string": "Zn100\n1.0\n11.706464 0.331444 -0.299754\n0.351417 11.811438 -0.491175\n-0.315011 -0.493333 11.703576\nZn\n100\ndirect\n0.948285 0.646914 0.594303 Zn\n0.291274 0.108757 0.100264 Zn\n0.964411 0.217735 0.407935 Zn\n0.269466 0.625166 0.240734 Zn\n0.225154 0.129736 0.453224 Zn\n0.433616 0.878988 0.645804 Zn\n0.624232 0.901217 0.137379 Zn\n0.171050 0.190993 0.812744 Zn\n0.270937 0.305378 0.998508 Zn\n0.541205 0.755882 0.466929 Zn\n0.672320 0.321084 0.521191 Zn\n0.532903 0.304867 0.201498 Zn\n0.212982 0.730141 0.930812 Zn\n0.105386 0.100778 0.236309 Zn\n0.629987 0.222644 0.867043 Zn\n0.745520 0.729052 0.555014 Zn\n0.046737 0.346787 0.920265 Zn\n0.441738 0.953009 0.007915 Zn\n0.299161 0.993844 0.285816 Zn\n0.688703 0.629864 0.329021 Zn\n0.877245 0.309494 0.608716 Zn\n0.563004 0.590595 0.942821 Zn\n0.327645 0.405733 0.217644 Zn\n0.048975 0.890931 0.966062 Zn\n0.080749 0.794999 0.522031 Zn\n0.918023 0.488491 0.765168 Zn\n0.906131 0.206894 0.184249 Zn\n0.522837 0.681755 0.709574 Zn\n0.080021 0.562025 0.900182 Zn\n0.142641 0.412151 0.730708 Zn\n0.597852 0.540733 0.546471 Zn\n0.701414 0.200549 0.082497 Zn\n0.936669 0.078216 0.820762 Zn\n0.191466 0.820283 0.727376 Zn\n0.895949 0.409804 0.298352 Zn\n0.075370 0.536630 0.288973 Zn\n0.744997 0.639252 0.769063 Zn\n0.482944 0.363497 0.987378 Zn\n0.691213 0.686121 0.112774 Zn\n0.727201 0.206465 0.323923 Zn\n0.890314 0.380860 0.068774 Zn\n0.309144 0.718323 0.489177 Zn\n0.514308 0.265806 0.658379 Zn\n0.868015 0.677952 0.972908 Zn\n0.150964 0.804236 0.309853 Zn\n0.868913 0.029580 0.048713 Zn\n0.890551 0.589253 0.164594 Zn\n0.153160 0.321506 0.359518 Zn\n0.428614 0.146693 0.919327 Zn\n0.245287 0.508901 0.431863 Zn\n0.167339 0.610376 0.635750 Zn\n0.992247 0.729707 0.800271 Zn\n0.393726 0.800997 0.844119 Zn\n0.459292 0.960095 0.434023 Zn\n0.671185 0.420333 0.331825 Zn\n0.463037 0.577592 0.343432 Zn\n0.363048 0.208145 0.309335 Zn\n0.233359 0.874779 0.108395 Zn\n0.080903 0.109903 0.000274 Zn\n0.942006 0.850069 0.165412 Zn\n0.930207 0.691010 0.372614 Zn\n0.834894 0.878675 0.883160 Zn\n0.295468 0.314479 0.560837 Zn\n0.086397 0.694439 0.105791 Zn\n0.383728 0.533563 0.599464 Zn\n0.458807 0.377283 0.433056 Zn\n0.408841 0.795963 0.275755 Zn\n0.517066 0.093048 0.177569 Zn\n0.866321 0.025869 0.286418 Zn\n0.760577 0.817856 0.286787 Zn\n0.633358 0.791105 0.928953 Zn\n0.715293 0.414482 0.729694 Zn\n0.544339 0.055086 0.735878 Zn\n0.356836 0.553076 0.035856 Zn\n0.089477 0.230159 0.603727 Zn\n0.662901 0.863149 0.733871 Zn\n0.253321 0.928930 0.518542 Zn\n0.696791 0.412878 0.970497 Zn\n0.812890 0.500414 0.493661 Zn\n0.338241 0.104170 0.662290 Zn\n0.509339 0.462074 0.770837 Zn\n0.055411 0.989602 0.411669 Zn\n0.034117 0.443929 0.519309 Zn\n0.254246 0.991185 0.872266 Zn\n0.865791 0.897187 0.464489 Zn\n0.847289 0.279643 0.853837 Zn\n0.729432 0.152539 0.676608 Zn\n0.347491 0.321658 0.791019 Zn\n0.576522 0.511396 0.149482 Zn\n0.903858 0.891344 0.679855 Zn\n0.538320 0.160799 0.459878 Zn\n0.448775 0.747834 0.065823 Zn\n0.660742 0.955969 0.548620 Zn\n0.913598 0.086603 0.578929 Zn\n0.656172 0.015915 0.943287 Zn\n0.652154 0.007986 0.339475 Zn\n0.307665 0.560570 0.811514 Zn\n0.101797 0.296390 0.143140 Zn\n0.112134 0.018598 0.676608 Zn\n0.156736 0.485994 0.082633 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
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],
"chemical_system": "Zn",
"density": 6.733494229205109,
"density_atomic": 0.061994603294552884,
"volume": 1613.0436309895128,
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"formula_full": "Zn100",
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"energy": -120.13688532,
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"updated_at": "2021-11-28T01:38:13.488000Z",
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},
{
"id": "mp-775979",
"created_at": "2022-09-04T14:47:24.450285Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n4.536883 2.571712 0.000000\n-4.536883 2.571712 0.000000\n0.000000 1.808349 9.702770\nLi Fe O F\n8 4 8 4\ndirect\n0.818713 0.625699 0.998033 Li\n0.500000 0.000000 0.000000 Li\n0.181287 0.374301 0.001967 Li\n0.734173 0.265827 0.250000 Li\n0.000000 0.500000 0.500000 Li\n0.374301 0.181287 0.501967 Li\n0.625699 0.818713 0.498033 Li\n0.265827 0.734173 0.750000 Li\n0.419580 0.580420 0.250000 Fe\n0.104699 0.895301 0.250000 Fe\n0.895301 0.104699 0.750000 Fe\n0.580420 0.419580 0.750000 Fe\n0.573516 0.713077 0.862056 O\n0.142328 0.634249 0.131709 O\n0.713077 0.573516 0.362056 O\n0.634249 0.142328 0.631709 O\n0.857672 0.365751 0.868291 O\n0.426484 0.286923 0.137944 O\n0.365751 0.857672 0.368291 O\n0.286923 0.426484 0.637944 O\n0.206546 0.044212 0.874956 F\n0.044212 0.206546 0.374956 F\n0.793454 0.955788 0.125044 F\n0.955788 0.793454 0.625044 F\n",
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"elements": [
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"O",
"F"
],
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"formula_full": "Li8 Fe4 O8 F4",
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},
{
"id": "mp-1181831",
"created_at": "2022-09-04T14:47:27.578560Z",
"structure_string": "H26 Se4 N6 O16\n1.0\n3.183581 6.118014 0.000000\n-3.183581 6.118014 0.000000\n0.000000 2.379326 16.678663\nH Se N O\n26 4 6 16\ndirect\n0.100448 0.379111 0.646443 H\n0.379111 0.100448 0.146443 H\n0.031088 0.616217 0.598086 H\n0.616217 0.031088 0.098086 H\n0.986291 0.505280 0.478158 H\n0.505280 0.986291 0.978158 H\n0.570159 0.714036 0.439634 H\n0.714036 0.570159 0.939634 H\n0.389857 0.020686 0.000971 H\n0.020686 0.389857 0.500971 H\n0.293939 0.573007 0.362048 H\n0.573007 0.293939 0.862048 H\n0.749508 0.958757 0.324009 H\n0.958757 0.749508 0.824009 H\n0.243896 0.153967 0.378120 H\n0.153967 0.243896 0.878120 H\n0.543116 0.244449 0.742799 H\n0.244449 0.543116 0.242799 H\n0.770223 0.174691 0.670384 H\n0.174691 0.770223 0.170384 H\n0.618040 0.040700 0.674239 H\n0.040700 0.618040 0.174239 H\n0.474283 0.327217 0.647672 H\n0.327217 0.474283 0.147672 H\n0.613657 0.923822 0.549282 H\n0.923822 0.613657 0.049282 H\n0.548914 0.176891 0.427512 Se\n0.176891 0.548914 0.927512 Se\n0.298647 0.869562 0.687498 Se\n0.869562 0.298647 0.187498 Se\n0.932772 0.344246 0.311553 N\n0.344246 0.932772 0.811553 N\n0.418270 0.021826 0.389227 N\n0.021826 0.418270 0.889227 N\n0.607471 0.194630 0.683392 N\n0.194630 0.607471 0.183392 N\n0.719483 0.926446 0.502904 O\n0.926446 0.719483 0.002905 O\n0.772550 0.528607 0.336434 O\n0.528607 0.772550 0.836434 O\n0.801177 0.028180 0.356986 O\n0.028180 0.801177 0.856986 O\n0.353417 0.426198 0.337137 O\n0.426198 0.353417 0.837137 O\n0.409879 0.859343 0.445587 O\n0.859343 0.409879 0.945587 O\n0.145432 0.494336 0.634925 O\n0.494336 0.145432 0.134925 O\n0.544433 0.853882 0.645177 O\n0.853882 0.544433 0.145177 O\n0.054923 0.143221 0.664254 O\n0.143221 0.054923 0.164254 O\n",
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"elements": [
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],
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"volume": 649.7070807401257,
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"formula_full": "H26 Se4 N6 O16",
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"energy": -268.7234328,
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},
{
"id": "mp-1101535",
"created_at": "2022-09-04T14:47:27.951212Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n-0.736367 6.706283 2.965671\n-0.283282 0.065443 8.380537\n10.443659 -0.394658 -0.405632\nLi Mn P O\n8 4 8 28\ndirect\n0.823951 0.565793 0.150281 Li\n0.824221 0.565803 0.650265 Li\n0.175751 0.434169 0.349762 Li\n0.176057 0.434224 0.849694 Li\n0.868581 0.992220 0.149787 Li\n0.868809 0.992163 0.649847 Li\n0.131176 0.007850 0.350143 Li\n0.131409 0.007734 0.850196 Li\n0.277608 0.720186 0.587869 Mn\n0.721979 0.279767 0.411898 Mn\n0.277987 0.720141 0.088116 Mn\n0.722379 0.279765 0.912161 Mn\n0.865236 0.823130 0.387941 P\n0.865223 0.823163 0.887981 P\n0.134774 0.176848 0.112029 P\n0.134751 0.176882 0.612033 P\n0.548961 0.701475 0.367977 P\n0.549024 0.701445 0.868029 P\n0.450953 0.298560 0.131951 P\n0.451083 0.298534 0.632049 P\n0.661369 0.211985 0.088734 O\n0.661477 0.211946 0.588800 O\n0.338498 0.788095 0.411125 O\n0.338673 0.788003 0.911330 O\n0.689536 0.546476 0.454246 O\n0.689781 0.546500 0.954327 O\n0.310235 0.453517 0.045703 O\n0.310460 0.453548 0.545755 O\n0.960336 0.796656 0.030366 O\n0.960299 0.796538 0.530338 O\n0.039628 0.203465 0.469642 O\n0.039800 0.203331 0.969624 O\n0.367545 0.145425 0.108726 O\n0.367512 0.145473 0.608686 O\n0.632490 0.854549 0.391324 O\n0.632460 0.854606 0.891282 O\n0.147433 0.004219 0.164800 O\n0.147490 0.004198 0.664763 O\n0.852497 0.995822 0.335216 O\n0.852586 0.995777 0.835211 O\n0.038836 0.332612 0.199609 O\n0.038844 0.332547 0.699715 O\n0.961164 0.667440 0.300289 O\n0.961112 0.667421 0.800369 O\n0.456794 0.342824 0.277323 O\n0.456896 0.342623 0.777432 O\n0.543223 0.657324 0.222588 O\n0.543119 0.657225 0.722662 O\n",
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],
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