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{
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"results": [
{
"id": "mp-779228",
"created_at": "2022-09-04T14:41:56.541698Z",
"structure_string": "Li4 Mn1 Ni5 O12\n1.0\n4.244578 2.524246 0.000000\n-4.244578 2.524246 0.000000\n0.000000 0.332067 9.999655\nLi Mn Ni O\n4 1 5 12\ndirect\n0.858317 0.351296 0.249746 Li\n0.648704 0.141683 0.750254 Li\n0.349529 0.857399 0.249020 Li\n0.142601 0.650471 0.750980 Li\n0.999846 0.000154 0.000000 Mn\n0.837346 0.162654 0.500000 Ni\n0.334612 0.665388 0.000000 Ni\n0.664855 0.335145 0.000000 Ni\n0.166685 0.833315 0.500000 Ni\n0.498948 0.501052 0.500000 Ni\n0.975494 0.316233 0.892092 O\n0.683767 0.024506 0.107908 O\n0.846376 0.493547 0.601668 O\n0.464048 0.823500 0.608255 O\n0.506453 0.153624 0.398332 O\n0.837650 0.832485 0.405928 O\n0.176500 0.535952 0.391745 O\n0.315960 0.976560 0.892507 O\n0.673118 0.673562 0.903241 O\n0.023440 0.684040 0.107493 O\n0.326438 0.326882 0.096759 O\n0.167515 0.162350 0.594072 O\n",
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"formula_full": "Li4 Mn1 Ni5 O12",
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{
"id": "mp-1523076",
"created_at": "2022-09-04T14:41:56.560969Z",
"structure_string": "Ba1 Eu1 In1 Bi1 O6\n1.0\n0.000000 -4.270253 -4.270253\n4.270253 0.000000 -4.270253\n4.270253 -4.270253 -0.000000\nBa Eu In Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.751102 0.248898 0.248898 O\n0.248898 0.751102 0.751102 O\n0.751102 0.248898 0.751102 O\n0.248898 0.751102 0.248898 O\n0.751102 0.751102 0.248898 O\n0.248898 0.248898 0.751102 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.560614080868387,
"density_atomic": 0.06421096324698931,
"volume": 155.736645182143,
"volume_molar": 9.37867998777041,
"formula_full": "Ba1 Eu1 In1 Bi1 O6",
"formula_reduced": "BaEuInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.08285366,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:31.561000Z",
"spacegroup": 216
},
{
"id": "mp-1188736",
"created_at": "2022-09-04T14:41:56.572697Z",
"structure_string": "Na2 Pd1 C4 O10\n1.0\n4.067714 0.000000 0.000000\n1.850609 7.024948 0.000000\n0.482789 2.887259 9.341106\nNa Pd C O\n2 1 4 10\ndirect\n0.379935 0.299412 0.419380 Na\n0.620065 0.700588 0.580620 Na\n0.000000 0.000000 0.000000 Pd\n0.740622 0.025224 0.734290 C\n0.259378 0.974776 0.265710 C\n0.832935 0.226665 0.715114 C\n0.167065 0.773335 0.284886 C\n0.131563 0.599892 0.723898 O\n0.868437 0.400108 0.276102 O\n0.821662 0.894045 0.857688 O\n0.178338 0.105955 0.142312 O\n0.971598 0.240873 0.826468 O\n0.028402 0.759127 0.173532 O\n0.602417 0.002187 0.632511 O\n0.397583 0.997813 0.367489 O\n0.777537 0.356011 0.597139 O\n0.222463 0.643989 0.402861 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"Pd",
"C",
"O"
],
"chemical_system": "C-Na-O-Pd",
"density": 2.2422593435075564,
"density_atomic": 0.06368792463487619,
"volume": 266.9265814118022,
"volume_molar": 9.45570262263219,
"formula_full": "Na2 Pd1 C4 O10",
"formula_reduced": "Na2Pd(C2O5)2",
"formula_anonymous": "AB2C4D10",
"energy": -114.28768675,
"energy_per_atom": -6.722805102941177,
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"updated_at": "2021-11-28T01:35:30.157000Z",
"spacegroup": 2
},
{
"id": "mp-697332",
"created_at": "2022-09-04T14:41:56.578415Z",
"structure_string": "La7 Ti27 Al5 Cu24 O96\n1.0\n6.090186 -0.004281 -2.156283\n-3.049232 5.288222 -2.157490\n-0.018732 -0.044871 51.696745\nLa Ti Al Cu O\n7 27 5 24 96\ndirect\n0.000525 0.001199 0.875863 La\n0.006735 0.005759 0.750866 La\n0.003432 0.004006 0.625781 La\n0.001394 0.001607 0.500335 La\n0.999742 0.999755 0.374941 La\n0.997670 0.997953 0.249486 La\n0.991238 0.990514 0.122821 La\n0.003148 0.006251 0.940543 Ti\n0.998358 0.502693 0.874944 Ti\n0.522554 0.516339 0.939856 Ti\n0.001317 0.499824 0.751233 Ti\n0.000622 0.000503 0.812817 Ti\n0.001765 0.502582 0.625704 Ti\n0.001981 0.002428 0.688061 Ti\n0.505652 0.503711 0.688489 Ti\n0.006842 0.998278 0.563548 Ti\n0.000011 0.500901 0.500264 Ti\n0.502307 0.505760 0.564000 Ti\n-0.000115 0.499699 0.374935 Ti\n0.000586 0.999614 0.437594 Ti\n0.503389 0.005110 0.500708 Ti\n0.998723 0.999762 0.312224 Ti\n0.500763 0.500402 0.437614 Ti\n0.000019 0.498254 0.249552 Ti\n0.498368 0.498802 0.312204 Ti\n0.499743 0.999546 0.374934 Ti\n0.998421 0.495559 0.123436 Ti\n0.991869 0.999690 0.185974 Ti\n0.496163 0.993663 0.249152 Ti\n0.494745 0.492208 0.185557 Ti\n0.996204 0.992954 0.059265 Ti\n0.473544 0.481917 0.059615 Ti\n0.499560 0.998922 0.999967 Ti\n0.000062 0.500234 0.999863 Ti\n0.502024 0.500275 0.812620 Al\n0.500005 0.996842 0.874918 Al\n0.503032 0.007830 0.750673 Al\n0.503120 0.004230 0.625619 Al\n0.494718 0.993280 0.124032 Al\n0.498419 0.001673 0.937214 Cu\n0.500441 0.000133 0.812518 Cu\n0.501096 0.500165 0.874737 Cu\n0.998091 0.495666 0.937002 Cu\n0.500398 0.000226 0.687514 Cu\n0.499824 0.500144 0.750516 Cu\n0.999755 0.500399 0.812613 Cu\n0.499931 0.499359 0.625198 Cu\n-0.000248 0.499932 0.687583 Cu\n0.501714 0.001153 0.563092 Cu\n0.499937 0.999906 0.437491 Cu\n0.499833 0.500323 0.500098 Cu\n0.002873 0.502458 0.562880 Cu\n0.499774 0.999878 0.312447 Cu\n0.499847 0.499885 0.374968 Cu\n0.000309 0.500016 0.437527 Cu\n0.497924 0.998754 0.186872 Cu\n0.499907 0.499540 0.249850 Cu\n0.999583 0.499701 0.312426 Cu\n0.499472 0.500342 0.124665 Cu\n0.501511 0.998434 0.062845 Cu\n0.997336 0.497293 0.187080 Cu\n0.499960 0.499938 0.999984 Cu\n0.002126 0.504178 0.062873 Cu\n0.178414 0.868046 0.960906 O\n0.132187 0.312107 0.977546 O\n0.174300 0.480146 0.912687 O\n0.179193 0.876138 0.837314 O\n0.305206 0.823917 0.890603 O\n0.508025 0.687223 0.977362 O\n0.304774 0.175193 0.935114 O\n0.127109 0.303338 0.852834 O\n0.686559 0.821443 0.938673 O\n0.182425 0.480135 0.787963 O\n0.481237 0.300306 0.896664 O\n0.308069 0.826123 0.766038 O\n0.181842 0.878705 0.712645 O\n0.688219 0.180362 0.983442 O\n0.518009 0.696282 0.852494 O\n0.821451 0.509218 0.961281 O\n0.123203 0.301022 0.727508 O\n0.308637 0.179585 0.810278 O\n0.871300 0.694557 0.896891 O\n0.690630 0.820279 0.814616 O\n0.176719 0.479014 0.662452 O\n0.183192 0.879670 0.587704 O\n0.480122 0.301364 0.772588 O\n0.301784 0.821304 0.639857 O\n0.690489 0.171534 0.858554 O\n0.817975 0.123733 0.912361 O\n0.518409 0.700726 0.727721 O\n0.818095 0.519824 0.836863 O\n0.300989 0.178166 0.684877 O\n0.122629 0.299738 0.602444 O\n0.176567 0.478305 0.537365 O\n0.697819 0.821194 0.689865 O\n0.877096 0.698068 0.772156 O\n0.479086 0.297302 0.647029 O\n0.300705 0.821471 0.515332 O\n0.177607 0.878693 0.462307 O\n0.820140 0.122282 0.787482 O\n0.697973 0.177903 0.734879 O\n0.518238 0.701975 0.602704 O\n0.121118 0.300126 0.477565 O\n0.300557 0.178697 0.559745 O\n0.823060 0.520858 0.712349 O\n0.876139 0.697923 0.647028 O\n0.179183 0.478471 0.412463 O\n0.698248 0.820718 0.564764 O\n0.477406 0.298700 0.522059 O\n0.299807 0.821202 0.390112 O\n0.178853 0.878307 0.337531 O\n0.697749 0.177226 0.609950 O\n0.520461 0.699261 0.477565 O\n0.817941 0.120366 0.662182 O\n0.120516 0.300289 0.352719 O\n0.299725 0.179466 0.434865 O\n0.819985 0.520097 0.586970 O\n0.179350 0.479299 0.287775 O\n0.699830 0.820351 0.440042 O\n0.877814 0.698690 0.522054 O\n0.177202 0.874734 0.212375 O\n0.300197 0.821920 0.265313 O\n0.478671 0.299051 0.397329 O\n0.700003 0.178482 0.484752 O\n0.521441 0.701349 0.352733 O\n0.822243 0.123340 0.537556 O\n0.300312 0.179740 0.309986 O\n0.123236 0.302236 0.228116 O\n0.820119 0.520894 0.462359 O\n0.879577 0.700086 0.397339 O\n0.179421 0.480217 0.163392 O\n0.700476 0.820777 0.315187 O\n0.182063 0.877687 0.087692 O\n0.303486 0.824335 0.140351 O\n0.479732 0.301673 0.272447 O\n0.821345 0.120517 0.412473 O\n0.700353 0.179073 0.359942 O\n0.523138 0.701586 0.228119 O\n0.124827 0.303503 0.103158 O\n0.302821 0.179045 0.185346 O\n0.821998 0.521400 0.337542 O\n0.699344 0.822089 0.190324 O\n0.178747 0.491121 0.038653 O\n0.878034 0.699830 0.272453 O\n0.310124 0.818185 0.016170 O\n0.482453 0.298760 0.147339 O\n0.823218 0.122940 0.287823 O\n0.699128 0.178507 0.234647 O\n0.520833 0.702550 0.103145 O\n0.824879 0.521666 0.212549 O\n0.312109 0.180606 0.061417 O\n0.697419 0.823334 0.065018 O\n0.876839 0.700782 0.147689 O\n0.492407 0.312775 0.022703 O\n0.696591 0.178126 0.110005 O\n0.818263 0.123327 0.162548 O\n0.823770 0.519538 0.087331 O\n0.868282 0.687842 0.022481 O\n0.820685 0.131574 0.039059 O\n",
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"formula_full": "La7 Ti27 Al5 Cu24 O96",
"formula_reduced": "La7Ti27Al5(CuO4)24",
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"updated_at": "2021-11-28T01:35:30.203000Z",
"spacegroup": 1
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{
"id": "mp-26095",
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"structure_string": "Li8 Mn4 P16 O48\n1.0\n9.391034 0.000000 0.000000\n0.000000 9.573164 0.000000\n0.000000 0.000000 10.344897\nLi Mn P O\n8 4 16 48\ndirect\n0.099295 0.005969 0.181836 Li\n0.400705 0.005969 0.181836 Li\n0.599295 0.494031 0.681836 Li\n0.900705 0.494031 0.681836 Li\n0.099295 0.505969 0.318164 Li\n0.400705 0.505969 0.318164 Li\n0.599295 0.994031 0.818164 Li\n0.900705 0.994031 0.818164 Li\n0.250000 0.011220 0.800789 Mn\n0.750000 0.488780 0.300789 Mn\n0.250000 0.511220 0.699211 Mn\n0.750000 0.988780 0.199211 Mn\n0.750000 0.198067 0.605467 P\n0.536527 0.209926 0.389440 P\n0.963473 0.209926 0.389440 P\n0.250000 0.228294 0.518294 P\n0.750000 0.271706 0.018294 P\n0.036527 0.290074 0.889440 P\n0.463473 0.290074 0.889440 P\n0.250000 0.301933 0.105467 P\n0.750000 0.698067 0.894533 P\n0.536527 0.709926 0.110560 P\n0.963473 0.709926 0.110560 P\n0.250000 0.728294 0.981706 P\n0.750000 0.771706 0.481706 P\n0.036527 0.790074 0.610560 P\n0.463473 0.790074 0.610560 P\n0.250000 0.801933 0.394533 P\n0.750000 0.100706 0.718853 O\n0.569477 0.115276 0.276906 O\n0.930523 0.115276 0.276906 O\n0.750000 0.114755 0.026386 O\n0.059291 0.134676 0.875432 O\n0.440709 0.134676 0.875432 O\n0.616084 0.152576 0.516801 O\n0.883916 0.152576 0.516801 O\n0.250000 0.147099 0.126985 O\n0.250000 0.142977 0.638198 O\n0.124257 0.175643 0.424410 O\n0.375743 0.175643 0.424410 O\n0.624257 0.324357 0.924410 O\n0.875743 0.324357 0.924410 O\n0.750000 0.357023 0.138198 O\n0.750000 0.352901 0.626985 O\n0.116084 0.347424 0.016801 O\n0.383916 0.347424 0.016801 O\n0.559291 0.365324 0.375432 O\n0.940709 0.365324 0.375432 O\n0.250000 0.385245 0.526386 O\n0.069477 0.384724 0.776906 O\n0.430523 0.384724 0.776906 O\n0.250000 0.399294 0.218853 O\n0.750000 0.600706 0.781147 O\n0.569477 0.615276 0.223094 O\n0.930523 0.615276 0.223094 O\n0.750000 0.614755 0.473614 O\n0.059291 0.634676 0.624568 O\n0.440709 0.634676 0.624568 O\n0.616084 0.652576 0.983199 O\n0.883916 0.652576 0.983199 O\n0.250000 0.647099 0.373015 O\n0.250000 0.642977 0.861802 O\n0.124257 0.675643 0.075590 O\n0.375743 0.675643 0.075590 O\n0.624257 0.824357 0.575590 O\n0.875743 0.824357 0.575590 O\n0.750000 0.857023 0.361802 O\n0.750000 0.852901 0.873015 O\n0.116084 0.847424 0.483199 O\n0.383916 0.847424 0.483199 O\n0.559291 0.865324 0.124568 O\n0.940709 0.865324 0.124568 O\n0.250000 0.885245 0.973614 O\n0.069477 0.884724 0.723094 O\n0.430523 0.884724 0.723094 O\n0.250000 0.899294 0.281147 O\n",
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"volume": 930.0259846901666,
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"formula_full": "Li8 Mn4 P16 O48",
"formula_reduced": "Li2Mn(PO3)4",
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"energy": -577.14331841,
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"spacegroup": 62
},
{
"id": "mp-1097188",
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"structure_string": "La2 Ag1 Au1\n1.0\n-5.561465 6.024156 8.568286\n5.561465 -6.024156 8.568286\n5.561465 6.024156 -8.568286\nLa Ag Au\n2 1 1\ndirect\n0.000000 0.255946 0.255946 La\n0.000000 0.744054 0.744054 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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{
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{
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}