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{
"id": "mp-28105",
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"structure_string": "Ni17 S18\n1.0\n5.954062 -5.150766 0.000000\n5.954062 5.150766 0.000000\n1.498215 0.000000 7.728946\nNi S\n17 18\ndirect\n0.174164 0.174164 0.174164 Ni\n0.825836 0.825836 0.825836 Ni\n0.822210 0.500000 0.177790 Ni\n0.500000 0.177790 0.822210 Ni\n0.177790 0.822210 0.500000 Ni\n0.177790 0.500000 0.822210 Ni\n0.500000 0.822210 0.177790 Ni\n0.822210 0.177790 0.500000 Ni\n0.346521 0.346521 0.346521 Ni\n0.653479 0.653479 0.653479 Ni\n0.000000 0.675334 0.324666 Ni\n0.675334 0.324666 0.000000 Ni\n0.324666 0.000000 0.675334 Ni\n0.324666 0.675334 0.000000 Ni\n0.675334 0.000000 0.324666 Ni\n0.000000 0.324666 0.675334 Ni\n0.000000 0.000000 0.000000 Ni\n0.694871 0.020817 0.020817 S\n0.020817 0.020817 0.694871 S\n0.020817 0.694871 0.020817 S\n0.979183 0.305129 0.979183 S\n0.979183 0.979183 0.305129 S\n0.305129 0.979183 0.979183 S\n0.364964 0.364964 0.030970 S\n0.364964 0.030970 0.364964 S\n0.030970 0.364964 0.364964 S\n0.635036 0.635036 0.969030 S\n0.969030 0.635036 0.635036 S\n0.635036 0.969030 0.635036 S\n0.700210 0.360165 0.700210 S\n0.360165 0.700210 0.700210 S\n0.700210 0.700210 0.360165 S\n0.639835 0.299790 0.299790 S\n0.299790 0.639835 0.299790 S\n0.299790 0.299790 0.639835 S\n",
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"updated_at": "2021-11-28T01:34:39.659000Z",
"spacegroup": 166
},
{
"id": "mp-531223",
"created_at": "2022-09-04T14:46:05.494955Z",
"structure_string": "La17 Mn18 O54\n1.0\n9.691940 0.000000 0.000000\n1.603481 9.588744 0.000000\n3.395800 1.059267 11.880711\nLa Mn O\n17 18 54\ndirect\n0.860810 0.220508 0.805911 La\n0.303300 0.110793 0.027919 La\n0.374443 0.215745 0.301679 La\n0.530091 0.555929 0.141673 La\n0.807251 0.106221 0.517369 La\n0.974725 0.443785 0.360594 La\n0.249945 0.999568 0.749275 La\n0.418300 0.333717 0.581322 La\n0.028158 0.556508 0.638474 La\n0.193296 0.890610 0.469364 La\n0.471311 0.444056 0.862084 La\n0.638854 0.779085 0.694391 La\n0.908448 0.324175 0.090155 La\n0.080679 0.666620 0.918222 La\n0.693358 0.891367 0.983121 La\n0.128111 0.784942 0.197636 La\n0.589833 0.676047 0.409940 La\n0.997926 0.999942 0.001840 Mn\n0.666233 0.332391 0.333373 Mn\n0.110587 0.222429 0.554645 Mn\n0.556392 0.110907 0.777961 Mn\n0.333926 0.666775 0.666447 Mn\n0.612768 0.222318 0.056126 Mn\n0.777956 0.555203 0.888255 Mn\n0.056689 0.110360 0.277013 Mn\n0.221557 0.444724 0.111631 Mn\n0.501407 0.000043 0.498361 Mn\n0.276325 0.555978 0.389165 Mn\n0.446399 0.888333 0.222954 Mn\n0.722296 0.443935 0.609672 Mn\n0.887911 0.779347 0.444152 Mn\n0.166101 0.333546 0.833341 Mn\n0.943292 0.888919 0.722991 Mn\n0.388798 0.777290 0.945573 Mn\n0.833730 0.667617 0.166623 Mn\n0.317014 0.141215 0.536989 O\n0.057919 0.047262 0.652578 O\n0.765467 0.029840 0.756208 O\n0.121619 0.314653 0.686696 O\n0.056631 0.174834 0.900202 O\n0.795649 0.091659 0.005862 O\n0.567399 0.204385 0.908145 O\n0.988110 0.474202 0.865751 O\n0.497887 0.063638 0.123302 O\n0.724900 0.381667 0.983252 O\n0.644475 0.264795 0.197231 O\n0.033705 0.094699 0.125511 O\n0.429381 0.366526 0.087962 O\n0.793096 0.645285 0.020009 O\n0.174440 0.272447 0.210945 O\n0.724216 0.506933 0.237242 O\n0.100883 0.132349 0.422349 O\n0.454048 0.419072 0.353939 O\n0.879844 0.250994 0.313471 O\n0.231229 0.542333 0.242376 O\n0.644112 0.788412 0.197331 O\n0.599186 0.173903 0.441388 O\n0.164044 0.397993 0.459133 O\n0.386451 0.715480 0.322188 O\n0.539572 0.019763 0.648953 O\n0.901048 0.299419 0.571887 O\n0.317523 0.574320 0.536153 O\n0.679462 0.431838 0.463645 O\n0.096355 0.692923 0.427084 O\n0.439834 0.973831 0.361171 O\n0.607601 0.288468 0.679637 O\n0.837565 0.599057 0.541937 O\n0.384940 0.840613 0.571450 O\n0.345333 0.192290 0.798392 O\n0.765365 0.462157 0.754960 O\n0.123127 0.747861 0.688753 O\n0.542773 0.585473 0.647221 O\n0.899503 0.866869 0.579343 O\n0.280587 0.492065 0.764623 O\n0.831456 0.728252 0.791362 O\n0.210736 0.352416 0.979271 O\n0.566936 0.635182 0.911484 O\n0.987908 0.909005 0.866436 O\n0.348366 0.759177 0.798284 O\n0.273385 0.616622 0.012345 O\n0.504752 0.936157 0.878298 O\n0.012463 0.517525 0.133894 O\n0.427865 0.797144 0.091496 O\n0.210288 0.917695 0.976661 O\n0.955543 0.811442 0.086244 O\n0.878086 0.684273 0.312705 O\n0.237031 0.973571 0.239596 O\n0.962601 0.947387 0.356506 O\n0.679087 0.852897 0.480899 O\n",
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"elements": [
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"chemical_system": "La-Mn-O",
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"volume": 1104.11643023843,
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"formula_full": "La17 Mn18 O54",
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"energy": -777.96648353,
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"updated_at": "2021-11-28T01:37:19.177000Z",
"spacegroup": 1
},
{
"id": "mp-530514",
"created_at": "2022-09-04T14:40:53.836214Z",
"structure_string": "Li17 Nb18 O54\n1.0\n9.057039 0.000000 0.000000\n1.508941 9.781789 0.000000\n3.018890 1.744752 11.339683\nLi Nb O\n17 18 54\ndirect\n0.427265 0.290199 0.572695 Li\n0.648886 0.734346 0.684510 Li\n0.485723 0.401376 0.849857 Li\n0.760796 0.957268 0.239244 Li\n0.871416 0.179395 0.795014 Li\n0.705321 0.845968 0.960683 Li\n0.984025 0.401827 0.349785 Li\n0.816375 0.067868 0.517042 Li\n0.206322 0.845162 0.461820 Li\n0.037533 0.511347 0.627110 Li\n0.316414 0.068396 0.016647 Li\n0.149196 0.734171 0.184149 Li\n0.261352 0.956355 0.739355 Li\n0.537873 0.512028 0.127411 Li\n0.371695 0.180451 0.294260 Li\n0.593205 0.624140 0.406794 Li\n0.927283 0.288048 0.073318 Li\n0.000307 0.998517 0.999376 Nb\n0.329113 0.663154 0.670263 Nb\n0.166612 0.332742 0.833276 Nb\n0.555304 0.110855 0.777115 Nb\n0.388440 0.777141 0.944215 Nb\n0.667194 0.332959 0.332905 Nb\n0.500442 0.999024 0.499197 Nb\n0.783839 0.553801 0.889154 Nb\n0.888709 0.777384 0.444775 Nb\n0.722194 0.443779 0.611154 Nb\n0.833992 0.666381 0.166682 Nb\n0.111346 0.220875 0.555608 Nb\n0.944070 0.888323 0.722437 Nb\n0.221605 0.445086 0.106556 Nb\n0.056294 0.110533 0.277141 Nb\n0.444994 0.888165 0.221902 Nb\n0.278805 0.554762 0.389701 Nb\n0.610248 0.222853 0.055160 Nb\n0.261090 0.422219 0.947209 O\n0.128876 0.175433 0.953256 O\n0.373295 0.274687 0.756423 O\n0.407062 0.983944 0.844059 O\n0.293944 0.742324 0.829448 O\n0.588871 0.097191 0.614170 O\n0.593694 0.718864 0.869147 O\n0.464488 0.843882 0.617895 O\n0.629942 0.428430 0.954582 O\n0.511567 0.553598 0.700749 O\n0.706985 0.943715 0.422538 O\n0.506356 0.180867 0.947563 O\n0.811303 0.541196 0.726056 O\n0.816752 0.163902 0.979751 O\n0.740431 0.649638 0.510255 O\n0.684133 0.289058 0.732240 O\n0.617039 0.402797 0.503754 O\n0.920906 0.765723 0.281888 O\n0.734504 0.000658 0.811545 O\n0.928768 0.387544 0.534862 O\n0.032861 0.985623 0.836402 O\n0.793499 0.511451 0.288585 O\n0.962031 0.094331 0.620531 O\n0.893583 0.736516 0.840849 O\n0.845827 0.221034 0.367365 O\n0.040529 0.606422 0.101255 O\n0.839431 0.849215 0.612757 O\n0.144042 0.208335 0.392337 O\n0.954965 0.434229 0.923301 O\n0.150241 0.830211 0.646499 O\n0.074238 0.316205 0.176029 O\n0.018587 0.955511 0.397986 O\n0.186513 0.532296 0.726993 O\n0.950710 0.069599 0.169544 O\n0.067515 0.665282 0.478579 O\n0.262161 0.054141 0.200645 O\n0.062113 0.289883 0.725212 O\n0.365820 0.654560 0.504398 O\n0.296102 0.761054 0.287498 O\n0.240459 0.398923 0.509795 O\n0.178523 0.887210 0.034507 O\n0.174986 0.511971 0.283101 O\n0.478366 0.875189 0.058857 O\n0.289955 0.109066 0.589589 O\n0.485156 0.498949 0.312609 O\n0.349812 0.621224 0.064753 O\n0.517992 0.206335 0.398608 O\n0.400876 0.333728 0.145192 O\n0.394529 0.959455 0.391234 O\n0.700500 0.319458 0.170279 O\n0.572658 0.067316 0.176250 O\n0.623017 0.776735 0.256946 O\n0.851240 0.871185 0.065800 O\n0.730302 0.623674 0.058687 O\n",
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},
{
"id": "mp-1229261",
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"structure_string": "Ca17 Ni19 P24 O96\n1.0\n0.037725 -10.089050 -0.005864\n-11.308641 -5.000737 1.991126\n-0.001200 -0.009851 -17.150282\nCa Ni P O\n17 19 24 96\ndirect\n0.112047 0.679425 0.068576 Ca\n0.791658 0.318590 0.432980 Ca\n0.887954 0.321480 0.931875 Ca\n0.206366 0.679603 0.564077 Ca\n0.510060 0.823024 0.891758 Ca\n0.333328 0.174811 0.607669 Ca\n0.489562 0.176524 0.108157 Ca\n0.665082 0.824013 0.391927 Ca\n0.103718 0.999013 0.252638 Ca\n0.896287 0.999197 0.748941 Ca\n0.536664 0.624523 0.066994 Ca\n0.162009 0.379581 0.434241 Ca\n0.461417 0.376604 0.933925 Ca\n0.838573 0.624492 0.565071 Ca\n0.039950 0.128836 0.088836 Ca\n0.829603 0.130678 0.589485 Ca\n0.960487 0.870656 0.911273 Ca\n0.145308 0.473256 0.226303 Ni\n0.617593 0.526787 0.275085 Ni\n0.854489 0.528612 0.774756 Ni\n0.383483 0.473060 0.725179 Ni\n0.674036 0.835047 0.048819 Ni\n0.508545 0.162973 0.450649 Ni\n0.325879 0.164957 0.951183 Ni\n0.490422 0.833432 0.548562 Ni\n0.577019 0.000259 0.251655 Ni\n0.420081 0.000271 0.750477 Ni\n0.733896 0.216040 0.236985 Ni\n0.949823 0.784605 0.264835 Ni\n0.266054 0.783388 0.759869 Ni\n0.049530 0.215776 0.735353 Ni\n0.894199 0.472443 0.131564 Ni\n0.366801 0.529787 0.369053 Ni\n0.106234 0.527716 0.868611 Ni\n0.634521 0.471893 0.631111 Ni\n0.173345 0.865822 0.405933 Ni\n0.696799 0.366272 0.100086 P\n0.063832 0.640697 0.400051 P\n0.302808 0.634339 0.900010 P\n0.936683 0.367559 0.600074 P\n0.349864 0.994421 0.404594 P\n0.353795 0.997837 0.097945 P\n0.646401 0.998411 0.597348 P\n0.646149 0.001898 0.902509 P\n0.818530 0.611520 0.976028 P\n0.429417 0.388588 0.523612 P\n0.181401 0.388625 0.024398 P\n0.571738 0.610138 0.476175 P\n0.280333 0.679545 0.228680 P\n0.958641 0.322714 0.275336 P\n0.719405 0.322892 0.775078 P\n0.042317 0.677012 0.724874 P\n0.716525 0.720847 0.213508 P\n0.436577 0.279836 0.286926 P\n0.283375 0.279265 0.786391 P\n0.563322 0.720510 0.713374 P\n0.833174 0.052267 0.379464 P\n0.884015 0.947020 0.123111 P\n0.169824 0.945536 0.614461 P\n0.116336 0.052717 0.876508 P\n0.874491 0.635054 0.187439 O\n0.508046 0.366986 0.313028 O\n0.125806 0.365577 0.812700 O\n0.491806 0.633136 0.687668 O\n0.824116 0.512435 0.021927 O\n0.335875 0.488063 0.478070 O\n0.176041 0.487617 0.978465 O\n0.665818 0.511037 0.521462 O\n0.625836 0.750947 0.141712 O\n0.375847 0.248712 0.358541 O\n0.374290 0.248726 0.858126 O\n0.624577 0.750685 0.641720 O\n0.655093 0.686846 0.969279 O\n0.341437 0.311920 0.529845 O\n0.344784 0.313068 0.031087 O\n0.659900 0.686256 0.469111 O\n0.960324 0.932103 0.342381 O\n0.888364 0.065326 0.165953 O\n0.046784 0.062304 0.659142 O\n0.112229 0.934714 0.832342 O\n0.863563 0.311666 0.077381 O\n0.172674 0.701409 0.420438 O\n0.136106 0.688329 0.922845 O\n0.823772 0.312854 0.577717 O\n0.649755 0.282583 0.138076 O\n0.930283 0.717071 0.361641 O\n0.349151 0.717922 0.861475 O\n0.066463 0.283862 0.637711 O\n0.895840 0.550973 0.892948 O\n0.447112 0.448506 0.606796 O\n0.104480 0.449403 0.107570 O\n0.554054 0.550382 0.392926 O\n0.728301 0.837645 0.258445 O\n0.564828 0.163810 0.242369 O\n0.270005 0.163045 0.741530 O\n0.433863 0.836533 0.757300 O\n0.672063 0.486420 0.156830 O\n0.160743 0.519391 0.344789 O\n0.328194 0.513791 0.843530 O\n0.841969 0.487501 0.656660 O\n0.401699 0.878631 0.441244 O\n0.285628 0.112127 0.059094 O\n0.600448 0.112894 0.558632 O\n0.714308 0.887597 0.941236 O\n0.827086 0.148505 0.329874 O\n0.975723 0.847213 0.169475 O\n0.177811 0.844880 0.660843 O\n0.024869 0.153793 0.831290 O\n0.461015 0.969377 0.334773 O\n0.440917 0.029069 0.164933 O\n0.529583 0.029079 0.664859 O\n0.559402 0.970634 0.835365 O\n0.869262 0.098527 0.460579 O\n0.966995 0.911765 0.041988 O\n0.128261 0.910637 0.530736 O\n0.034201 0.086233 0.957786 O\n0.325897 0.680307 0.143138 O\n0.000466 0.328865 0.361781 O\n0.671603 0.328735 0.861546 O\n0.000520 0.670710 0.638595 O\n0.614357 0.401274 0.026835 O\n0.021526 0.606021 0.475222 O\n0.384019 0.600200 0.973917 O\n0.984506 0.402453 0.526630 O\n0.883365 0.694786 0.020501 O\n0.575759 0.306187 0.478627 O\n0.116656 0.305318 0.979900 O\n0.425504 0.690840 0.521666 O\n0.230938 0.802170 0.281709 O\n0.033233 0.198341 0.226787 O\n0.770067 0.198294 0.726608 O\n0.967958 0.801305 0.773515 O\n0.648679 0.678615 0.277028 O\n0.326622 0.321627 0.223566 O\n0.351884 0.321034 0.722847 O\n0.672054 0.679912 0.777457 O\n0.195737 0.014470 0.378137 O\n0.229026 0.971276 0.129350 O\n0.797621 0.971671 0.628094 O\n0.770990 0.028670 0.871507 O\n0.687794 0.035096 0.379357 O\n0.724171 0.960874 0.120410 O\n0.314805 0.962204 0.616763 O\n0.276461 0.038666 0.879383 O\n0.399998 0.585247 0.267127 O\n0.985922 0.414724 0.233699 O\n0.601128 0.413614 0.733123 O\n0.015251 0.585373 0.766909 O\n0.350581 0.099325 0.466429 O\n0.456502 0.895890 0.033853 O\n0.645234 0.896535 0.533123 O\n0.543157 0.103958 0.966447 O\n0.148168 0.641132 0.220577 O\n0.788656 0.360002 0.281032 O\n0.851828 0.361174 0.781065 O\n0.212177 0.639902 0.719109 O\n",
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