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{
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"structure_string": "Er8 Si16 C4 N24\n1.0\n9.938833 0.000000 0.000000\n0.000000 5.938193 0.000000\n0.000000 5.869749 10.347926\nEr Si C N\n8 16 4 24\ndirect\n0.086636 0.341109 0.918146 Er\n0.913364 0.658891 0.081854 Er\n0.586636 0.658891 0.581854 Er\n0.413364 0.341109 0.418146 Er\n0.933731 0.669187 0.595085 Er\n0.066269 0.330813 0.404915 Er\n0.433731 0.330813 0.904915 Er\n0.566269 0.669187 0.095085 Er\n0.287009 0.835428 0.920350 Si\n0.712991 0.164572 0.079650 Si\n0.787009 0.164572 0.579650 Si\n0.212991 0.835428 0.420350 Si\n0.272292 0.323089 0.658725 Si\n0.727708 0.676911 0.341275 Si\n0.772292 0.676911 0.841275 Si\n0.227708 0.323089 0.158725 Si\n0.020190 0.994872 0.749237 Si\n0.979810 0.005128 0.250763 Si\n0.520190 0.005128 0.750763 Si\n0.479810 0.994872 0.249237 Si\n0.294552 0.798206 0.676583 Si\n0.705448 0.201794 0.323417 Si\n0.794552 0.201794 0.823417 Si\n0.205448 0.798206 0.176583 Si\n0.208429 0.976889 0.752261 C\n0.791571 0.023111 0.247739 C\n0.708429 0.023111 0.747739 C\n0.291571 0.976889 0.252261 C\n0.455287 0.941871 0.900405 N\n0.544713 0.058129 0.099595 N\n0.955287 0.058129 0.599595 N\n0.044713 0.941871 0.400405 N\n0.447011 0.300861 0.636652 N\n0.552989 0.699139 0.363348 N\n0.947011 0.699139 0.863348 N\n0.052989 0.300861 0.136652 N\n0.464781 0.755827 0.723659 N\n0.535219 0.244173 0.276341 N\n0.964781 0.244173 0.776341 N\n0.035219 0.755827 0.223659 N\n0.209098 0.493528 0.500499 N\n0.790902 0.506472 0.499501 N\n0.709098 0.506472 0.999501 N\n0.290902 0.493528 0.000499 N\n0.235562 0.480617 0.746762 N\n0.764438 0.519383 0.253238 N\n0.735562 0.519383 0.753238 N\n0.264438 0.480617 0.246762 N\n0.290595 0.958638 0.509194 N\n0.709405 0.041362 0.490806 N\n0.790595 0.041362 0.990806 N\n0.209405 0.958638 0.009194 N\n",
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{
"id": "mp-758799",
"created_at": "2022-09-04T14:42:03.442789Z",
"structure_string": "Li9 Co15 O28\n1.0\n7.846980 0.000000 0.000000\n-2.040943 8.000386 0.000000\n-2.133739 -2.912526 7.882770\nLi Co O\n9 15 28\ndirect\n0.500000 0.000000 0.500000 Li\n0.215827 0.144112 0.356069 Li\n0.434992 0.286007 0.714163 Li\n0.341857 0.584051 0.927133 Li\n0.134882 0.432242 0.568307 Li\n0.865118 0.567758 0.431693 Li\n0.658143 0.415949 0.072867 Li\n0.565008 0.713993 0.285837 Li\n0.784173 0.855888 0.643931 Li\n0.000000 0.000000 0.000000 Co\n0.357684 0.065795 0.921531 Co\n0.866049 0.074079 0.432524 Co\n0.073319 0.216336 0.785110 Co\n0.000000 0.500000 0.000000 Co\n0.789071 0.358369 0.645949 Co\n0.574600 0.216413 0.292230 Co\n0.712049 0.638600 0.855694 Co\n0.500000 0.500000 0.500000 Co\n0.287951 0.361400 0.144306 Co\n0.425400 0.783587 0.707770 Co\n0.210929 0.641631 0.354051 Co\n0.926681 0.783664 0.214890 Co\n0.133951 0.925921 0.567476 Co\n0.642316 0.934205 0.078469 Co\n0.393019 0.023193 0.702618 O\n0.927481 0.013895 0.223764 O\n0.817450 0.124448 0.641856 O\n0.028526 0.259583 0.995452 O\n0.124229 0.161742 0.575105 O\n0.332259 0.312352 0.921780 O\n0.618574 0.169450 0.081279 O\n0.849804 0.308216 0.446654 O\n0.284786 0.127288 0.130551 O\n0.498977 0.258540 0.489850 O\n0.724919 0.411970 0.848054 O\n0.071164 0.446327 0.796336 O\n0.756253 0.584289 0.634648 O\n0.552089 0.458040 0.288284 O\n0.447911 0.541960 0.711716 O\n0.243747 0.415711 0.365352 O\n0.928836 0.553673 0.203664 O\n0.275081 0.588030 0.151946 O\n0.501023 0.741460 0.510150 O\n0.715214 0.872712 0.869449 O\n0.150196 0.691784 0.553346 O\n0.381426 0.830550 0.918721 O\n0.667741 0.687648 0.078220 O\n0.875771 0.838258 0.424895 O\n0.971474 0.740417 0.004548 O\n0.182550 0.875552 0.358144 O\n0.072519 0.986105 0.776236 O\n0.606981 0.976807 0.297382 O\n",
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{
"id": "mp-1198444",
"created_at": "2022-09-04T14:43:12.101856Z",
"structure_string": "Eu4 Mo6 H4 Se4 O34\n1.0\n7.399661 0.000000 0.000000\n0.000000 7.041366 0.000000\n0.000000 2.619090 14.490259\nEu Mo H Se O\n4 6 4 4 34\ndirect\n0.250000 0.383497 0.549164 Eu\n0.750000 0.616503 0.450836 Eu\n0.250000 0.750080 0.116956 Eu\n0.750000 0.249920 0.883044 Eu\n0.004883 0.214122 0.140501 Mo\n0.504883 0.785878 0.859499 Mo\n0.995117 0.785878 0.859499 Mo\n0.495117 0.214122 0.140501 Mo\n0.750000 0.128756 0.330072 Mo\n0.250000 0.871244 0.669928 Mo\n0.355007 0.252482 0.364691 H\n0.855007 0.747518 0.635309 H\n0.644993 0.747518 0.635309 H\n0.144993 0.252482 0.364691 H\n0.250000 0.782380 0.383005 Se\n0.750000 0.217620 0.616995 Se\n0.750000 0.761321 0.186648 Se\n0.250000 0.238679 0.813352 Se\n0.074526 0.657386 0.444704 O\n0.574526 0.342614 0.555296 O\n0.925474 0.342614 0.555296 O\n0.425474 0.657386 0.444704 O\n0.250000 0.713693 0.279072 O\n0.750000 0.286307 0.720928 O\n0.750000 0.806689 0.297715 O\n0.250000 0.193311 0.702285 O\n0.937678 0.894597 0.141748 O\n0.437678 0.105403 0.858252 O\n0.062322 0.105403 0.858252 O\n0.562322 0.894597 0.141748 O\n0.250000 0.104931 0.135413 O\n0.750000 0.895069 0.864587 O\n0.940436 0.244819 0.023292 O\n0.440436 0.755181 0.976708 O\n0.059564 0.755181 0.976708 O\n0.559564 0.244819 0.023292 O\n0.071619 0.449589 0.149599 O\n0.571619 0.550411 0.850401 O\n0.928381 0.550411 0.850401 O\n0.428381 0.449589 0.149599 O\n0.993711 0.119562 0.286911 O\n0.493711 0.880438 0.713089 O\n0.006289 0.880438 0.713089 O\n0.506289 0.119562 0.286911 O\n0.750000 0.230703 0.178445 O\n0.250000 0.769297 0.821555 O\n0.750000 0.363332 0.359720 O\n0.250000 0.636668 0.640280 O\n0.750000 0.974908 0.439823 O\n0.250000 0.025092 0.560177 O\n0.250000 0.309417 0.391329 O\n0.750000 0.690583 0.608671 O\n",
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"formula_full": "Eu4 Mo6 H4 Se4 O34",
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{
"id": "mp-850255",
"created_at": "2022-09-04T14:42:08.577336Z",
"structure_string": "Li2 Fe2 P6 H16 O26\n1.0\n7.597055 0.000000 0.000000\n-2.539167 8.245405 0.000000\n-0.188581 -1.974675 9.393354\nLi Fe P H O\n2 2 6 16 26\ndirect\n0.285971 0.598241 0.691204 Li\n0.714029 0.401759 0.308796 Li\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.284362 0.275153 0.939884 P\n0.802252 0.644506 0.757328 P\n0.989924 0.001597 0.779733 P\n0.010076 0.998403 0.220267 P\n0.197748 0.355494 0.242672 P\n0.715638 0.724847 0.060116 P\n0.798794 0.187369 0.947721 H\n0.661453 0.295774 0.964070 H\n0.466391 0.094711 0.770009 H\n0.809944 0.311044 0.632296 H\n0.611133 0.994704 0.753753 H\n0.242226 0.131584 0.581175 H\n0.886455 0.175020 0.544967 H\n0.344566 0.247178 0.474422 H\n0.655434 0.752822 0.525578 H\n0.113545 0.824980 0.455033 H\n0.757774 0.868416 0.418825 H\n0.388867 0.005296 0.246247 H\n0.190056 0.688956 0.367704 H\n0.533609 0.905289 0.229991 H\n0.338547 0.704226 0.035930 H\n0.201206 0.812631 0.052279 H\n0.780563 0.289829 0.006848 O\n0.148371 0.086570 0.910736 O\n0.183405 0.384642 0.890951 O\n0.465728 0.276237 0.881562 O\n0.812819 0.031184 0.824725 O\n0.679562 0.685448 0.888553 O\n0.886727 0.511023 0.777665 O\n0.058668 0.045436 0.643271 O\n0.978195 0.810119 0.777691 O\n0.485833 0.991220 0.714888 O\n0.679713 0.619904 0.625326 O\n0.789619 0.229182 0.541269 O\n0.363399 0.177900 0.541451 O\n0.636601 0.822100 0.458549 O\n0.210381 0.770818 0.458731 O\n0.320287 0.380096 0.374674 O\n0.514167 0.008780 0.285112 O\n0.021805 0.189881 0.222309 O\n0.941332 0.954564 0.356729 O\n0.113273 0.488977 0.222335 O\n0.320438 0.314552 0.111447 O\n0.187181 0.968816 0.175275 O\n0.534272 0.723763 0.118438 O\n0.816595 0.615358 0.109049 O\n0.851629 0.913430 0.089264 O\n0.219437 0.710171 0.993152 O\n",
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{
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"structure_string": "Sr4 V8 Ni8 O32\n1.0\n-6.174547 6.174547 4.230187\n6.174547 -6.174547 4.230187\n6.174547 6.174547 -4.230187\nSr V Ni O\n4 8 8 32\ndirect\n0.004253 0.004253 0.000000 Sr\n0.254253 0.754253 0.500000 Sr\n0.754253 0.254253 0.500000 Sr\n0.504253 0.504253 0.000000 Sr\n0.847681 0.023905 0.664152 V\n0.433529 0.597681 0.323776 V\n0.273905 0.109753 0.676224 V\n0.359753 0.183529 0.335848 V\n0.773905 0.097681 0.164152 V\n0.933529 0.609753 0.835848 V\n0.347681 0.683529 0.823776 V\n0.859753 0.523905 0.176224 V\n0.900958 0.898970 0.336577 Ni\n0.814381 0.650958 0.501988 Ni\n0.148970 0.312393 0.498012 Ni\n0.562393 0.564381 0.663423 Ni\n0.648970 0.150958 0.836577 Ni\n0.314381 0.812393 0.163423 Ni\n0.400958 0.064381 0.001988 Ni\n0.062393 0.398970 0.998012 Ni\n0.859345 0.513454 0.352888 O\n0.756457 0.609345 0.845892 O\n0.763454 0.910565 0.154108 O\n0.160565 0.506457 0.647112 O\n0.263454 0.109345 0.852888 O\n0.256457 0.410565 0.147112 O\n0.359345 0.006457 0.345892 O\n0.660565 0.013454 0.654108 O\n0.150041 0.819291 0.989015 O\n0.411025 0.900041 0.830750 O\n0.069291 0.580276 0.169250 O\n0.830276 0.161025 0.010985 O\n0.569291 0.400041 0.489015 O\n0.911025 0.080276 0.510985 O\n0.650041 0.661025 0.330750 O\n0.330276 0.319291 0.669250 O\n0.563425 0.043937 0.164345 O\n0.649081 0.313425 0.019489 O\n0.293937 0.629592 0.980511 O\n0.879592 0.399081 0.835655 O\n0.793937 0.813425 0.664345 O\n0.149081 0.129592 0.335656 O\n0.063425 0.899081 0.519489 O\n0.379592 0.543937 0.480511 O\n0.867365 0.704012 0.167973 O\n0.949392 0.617365 0.663353 O\n0.954012 0.286039 0.336647 O\n0.536039 0.699392 0.832027 O\n0.454012 0.117365 0.667973 O\n0.449392 0.786039 0.332027 O\n0.367365 0.199392 0.163353 O\n0.036039 0.204012 0.836647 O\n",
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{
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"structure_string": "Ti18 Zn2 S32\n1.0\n13.919919 0.000000 0.000000\n0.000000 7.037170 0.000000\n0.000000 6.890446 9.890664\nTi Zn S\n18 2 32\ndirect\n0.375316 0.507810 0.991021 Ti\n0.504171 0.500059 0.250187 Ti\n0.624684 0.507810 0.491021 Ti\n0.379938 0.486494 0.502727 Ti\n0.737977 0.496862 0.753512 Ti\n0.495829 0.500059 0.750187 Ti\n0.620062 0.486494 0.002727 Ti\n0.986713 0.487900 0.260434 Ti\n0.746713 0.491380 0.257921 Ti\n0.620423 0.011098 0.001206 Ti\n0.869061 0.497123 0.492842 Ti\n0.013287 0.487900 0.760434 Ti\n0.253287 0.491380 0.757921 Ti\n0.867296 0.026037 0.489112 Ti\n0.130939 0.497123 0.992842 Ti\n0.262023 0.496862 0.253512 Ti\n0.132704 0.026037 0.989112 Ti\n0.379577 0.011098 0.501206 Ti\n0.875751 0.876763 0.873704 Zn\n0.124249 0.876763 0.373704 Zn\n0.378375 0.247121 0.250095 S\n0.505948 0.243361 0.502808 S\n0.379141 0.738340 0.255877 S\n0.621625 0.247121 0.750095 S\n0.745393 0.253803 0.996207 S\n0.500038 0.749974 0.499004 S\n0.494052 0.243361 0.002808 S\n0.620859 0.738340 0.755877 S\n0.623293 0.256820 0.248081 S\n0.872518 0.255932 0.247052 S\n0.994226 0.247920 0.500632 S\n0.739235 0.746271 0.006868 S\n0.499962 0.749974 0.999004 S\n0.743647 0.240510 0.507450 S\n0.870392 0.743543 0.251212 S\n0.624099 0.760124 0.247412 S\n0.874019 0.275127 0.742200 S\n0.127482 0.255932 0.747052 S\n0.256353 0.240510 0.007450 S\n0.988830 0.746416 0.506958 S\n0.005774 0.247920 0.000632 S\n0.746876 0.749324 0.499374 S\n0.874865 0.738887 0.741105 S\n0.129608 0.743543 0.751212 S\n0.125981 0.275127 0.242200 S\n0.253124 0.749324 0.999374 S\n0.254607 0.253803 0.496207 S\n0.011170 0.746416 0.006958 S\n0.125135 0.738887 0.241105 S\n0.376707 0.256820 0.748081 S\n0.260765 0.746271 0.506868 S\n0.375901 0.760124 0.747412 S\n",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.818000Z",
"spacegroup": 212
}
]
}