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{
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{
"id": "mp-1224584",
"created_at": "2022-09-04T14:42:25.929499Z",
"structure_string": "Hf15 Mo11 Se2\n1.0\n0.000000 0.000000 -9.037525\n-4.174120 -7.233707 0.000000\n-4.174120 7.233707 0.000000\nHf Mo Se\n15 11 2\ndirect\n0.538594 0.796762 0.593595 Hf\n0.538486 0.796762 0.203238 Hf\n0.538594 0.406405 0.203238 Hf\n0.452376 0.198144 0.396045 Hf\n0.452550 0.197877 0.802123 Hf\n0.452376 0.603955 0.801856 Hf\n0.047624 0.198144 0.396045 Hf\n0.047450 0.197877 0.802123 Hf\n0.047624 0.603955 0.801856 Hf\n0.961406 0.796762 0.593595 Hf\n0.961514 0.796762 0.203238 Hf\n0.961406 0.406405 0.203238 Hf\n0.750000 0.462590 0.925190 Hf\n0.750000 0.462699 0.537301 Hf\n0.750000 0.074810 0.537410 Hf\n0.490566 0.999964 0.000036 Mo\n0.009434 0.999964 0.000036 Mo\n0.750000 0.107636 0.215391 Mo\n0.750000 0.107624 0.892376 Mo\n0.750000 0.784609 0.892364 Mo\n0.250000 0.883481 0.766801 Mo\n0.250000 0.883495 0.116505 Mo\n0.250000 0.233199 0.116519 Mo\n0.250000 0.550230 0.100274 Mo\n0.250000 0.550376 0.449624 Mo\n0.250000 0.899726 0.449770 Mo\n0.750000 0.666749 0.333251 Se\n0.250000 0.333038 0.666962 Se\n",
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},
{
"id": "mp-1215718",
"created_at": "2022-09-04T14:42:25.936621Z",
"structure_string": "Y1 U1 Pd6\n1.0\n4.129237 0.000000 0.000000\n0.000000 4.129237 0.000000\n0.000000 0.000000 8.277530\nY U Pd\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.255817 Pd\n0.500000 0.000000 0.744183 Pd\n0.000000 0.500000 0.255817 Pd\n0.000000 0.500000 0.744183 Pd\n",
"nsites": 8,
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"elements": [
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"U",
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"formula_full": "Y1 U1 Pd6",
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"spacegroup": 123
},
{
"id": "mp-546500",
"created_at": "2022-09-04T14:42:25.940667Z",
"structure_string": "Na1 C1 N1 O1\n1.0\n5.174644 -1.836294 0.000000\n5.174644 1.836294 0.000000\n4.523009 0.000000 3.113086\nNa C N O\n1 1 1 1\ndirect\n0.505240 0.505240 0.505240 Na\n0.000782 0.000782 0.000782 C\n0.922202 0.922202 0.922202 N\n0.081775 0.081775 0.081775 O\n",
"nsites": 4,
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"elements": [
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"O"
],
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"density": 1.8245784368938673,
"density_atomic": 0.06761081718436945,
"volume": 59.16213065569538,
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"formula_full": "Na1 C1 N1 O1",
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"formula_anonymous": "ABCD",
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"updated_at": "2021-11-28T01:35:44.043000Z",
"spacegroup": 160
},
{
"id": "mp-1218484",
"created_at": "2022-09-04T14:42:25.944656Z",
"structure_string": "Sr2 Al4 Si4 O16\n1.0\n-2.620048 -4.538056 0.000000\n-5.240093 -0.000001 -0.000002\n-0.000005 0.000003 -15.429027\nSr Al Si O\n2 4 4 16\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666665 0.666667 0.645779 Al\n0.333335 0.333333 0.354221 Al\n0.666668 0.666667 0.145779 Al\n0.333332 0.333333 0.854221 Al\n0.333332 0.333333 0.639362 Si\n0.666668 0.666667 0.360638 Si\n0.333335 0.333333 0.139362 Si\n0.666665 0.666667 0.860638 Si\n0.666662 0.666668 0.756875 O\n0.333331 0.333332 0.743125 O\n0.333338 0.333332 0.243125 O\n0.666669 0.666668 0.256875 O\n0.398656 0.011548 0.601028 O\n0.011547 0.589794 0.601028 O\n0.589793 0.398657 0.601028 O\n0.601344 0.988452 0.398972 O\n0.988453 0.410206 0.398972 O\n0.410207 0.601343 0.398972 O\n0.589796 0.011548 0.101028 O\n0.011550 0.398657 0.101028 O\n0.398659 0.589794 0.101028 O\n0.410204 0.988452 0.898972 O\n0.988450 0.601343 0.898972 O\n0.601341 0.410206 0.898972 O\n",
"nsites": 26,
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"Si",
"O"
],
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"density_atomic": 0.07086405681913532,
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"formula_full": "Sr2 Al4 Si4 O16",
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"formula_anonymous": "AB2C2D8",
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"updated_at": "2021-11-28T01:35:50.897000Z",
"spacegroup": 165
},
{
"id": "mp-1076296",
"created_at": "2022-09-04T14:42:25.966059Z",
"structure_string": "Ba24 Sr8 Co4 Cu28 O80\n1.0\n-0.006732 -0.000500 11.422947\n11.450068 0.000901 -0.006006\n-5.719350 16.153358 -5.708503\nBa Sr Co Cu O\n24 8 4 28 80\ndirect\n0.307769 0.058831 0.117514 Ba\n0.307727 0.058340 0.620761 Ba\n0.307475 0.551650 0.119031 Ba\n0.798341 0.056918 0.119757 Ba\n0.805627 0.551461 0.117433 Ba\n0.805626 0.552634 0.616038 Ba\n0.181846 0.445307 0.383866 Ba\n0.187839 0.951781 0.385490 Ba\n0.181966 0.943928 0.878486 Ba\n0.698112 0.445310 0.386012 Ba\n0.685439 0.444032 0.880355 Ba\n0.689957 0.948795 0.384351 Ba\n0.686268 0.938740 0.881523 Ba\n0.064483 0.318659 0.119123 Ba\n0.056106 0.807785 0.117073 Ba\n0.548338 0.316469 0.118828 Ba\n0.548236 0.812516 0.117573 Ba\n0.554094 0.811895 0.618689 Ba\n0.437787 0.184509 0.384120 Ba\n0.440571 0.695276 0.387544 Ba\n0.440298 0.689424 0.882052 Ba\n0.937033 0.186414 0.879993 Ba\n0.939707 0.688267 0.384091 Ba\n0.929701 0.690739 0.880517 Ba\n0.301740 0.554752 0.607151 Sr\n0.803034 0.058427 0.610192 Sr\n0.195001 0.439990 0.889358 Sr\n0.053282 0.308303 0.611654 Sr\n0.054559 0.800332 0.608875 Sr\n0.551847 0.301203 0.607028 Sr\n0.443507 0.200138 0.891755 Sr\n0.945443 0.194460 0.392006 Sr\n0.005969 0.013594 0.008214 Co\n0.994030 0.496316 0.991542 Co\n0.489125 0.998925 0.993386 Co\n0.749091 0.751941 0.011752 Co\n0.002034 0.006324 0.509217 Cu\n0.006132 0.505242 0.512626 Cu\n0.501561 0.005274 0.508544 Cu\n0.492268 0.495717 0.995331 Cu\n0.497914 0.499302 0.501553 Cu\n0.242937 0.247116 0.990379 Cu\n0.252346 0.256204 0.511746 Cu\n0.244391 0.742256 0.995641 Cu\n0.247637 0.754000 0.503845 Cu\n0.742967 0.249391 0.998797 Cu\n0.753299 0.250854 0.505898 Cu\n0.752672 0.756129 0.507065 Cu\n0.114850 0.104579 0.245174 Cu\n0.115558 0.101666 0.741136 Cu\n0.122056 0.607672 0.251293 Cu\n0.122563 0.597792 0.756926 Cu\n0.621465 0.107523 0.250853 Cu\n0.620678 0.112817 0.759869 Cu\n0.625095 0.607912 0.252586 Cu\n0.603903 0.586117 0.733022 Cu\n0.381166 0.403747 0.266972 Cu\n0.361850 0.398445 0.749481 Cu\n0.364402 0.890502 0.242353 Cu\n0.366100 0.900271 0.753579 Cu\n0.866133 0.383588 0.238417 Cu\n0.867943 0.393712 0.749241 Cu\n0.869508 0.895385 0.249949 Cu\n0.865138 0.898588 0.740933 Cu\n0.118414 0.132087 0.498858 O\n0.122026 0.127518 0.994386 O\n0.120965 0.625046 0.502565 O\n0.109797 0.610715 0.993009 O\n0.622353 0.124957 0.503781 O\n0.604334 0.111687 0.994617 O\n0.625290 0.629364 0.499734 O\n0.629961 0.633188 0.997262 O\n0.129701 0.372025 0.000338 O\n0.124451 0.380097 0.508469 O\n0.103703 0.886427 0.000156 O\n0.124125 0.877937 0.509685 O\n0.616721 0.376699 0.001102 O\n0.629503 0.367945 0.505584 O\n0.620883 0.872450 0.003701 O\n0.626345 0.887699 0.510741 O\n0.375060 0.126651 0.502132 O\n0.362984 0.128602 0.990625 O\n0.363123 0.628587 0.500095 O\n0.368640 0.614664 0.991899 O\n0.873149 0.125949 0.498635 O\n0.876871 0.108092 0.994989 O\n0.881254 0.621327 0.501543 O\n0.865784 0.620912 0.993549 O\n0.366666 0.371117 0.997387 O\n0.371097 0.374483 0.508189 O\n0.377285 0.889410 0.001409 O\n0.377041 0.882043 0.508111 O\n0.887341 0.386484 0.001425 O\n0.884389 0.377138 0.507418 O\n0.854747 0.860904 0.004569 O\n0.879595 0.883431 0.511780 O\n0.061696 0.085949 0.133319 O\n0.064944 0.097780 0.633857 O\n0.069506 0.587335 0.140273 O\n0.085335 0.594725 0.650017 O\n0.564527 0.094436 0.140880 O\n0.574994 0.107087 0.652604 O\n0.566068 0.590259 0.141233 O\n0.558035 0.572846 0.622803 O\n0.437548 0.423671 0.378508 O\n0.431503 0.409426 0.860515 O\n0.421898 0.907295 0.351538 O\n0.425278 0.916837 0.864878 O\n0.918926 0.380672 0.342618 O\n0.933101 0.414049 0.861660 O\n0.925981 0.909628 0.359015 O\n0.924057 0.905106 0.848346 O\n0.326688 0.302859 0.160768 O\n0.317447 0.303656 0.639599 O\n0.308801 0.796602 0.128679 O\n0.323983 0.795870 0.646691 O\n0.810003 0.297343 0.124361 O\n0.829517 0.294854 0.640465 O\n0.820498 0.797023 0.139240 O\n0.821656 0.799039 0.632576 O\n0.175660 0.200870 0.352936 O\n0.183726 0.200297 0.848498 O\n0.173925 0.703531 0.360241 O\n0.182519 0.696939 0.868759 O\n0.687049 0.196619 0.361456 O\n0.683314 0.201524 0.874042 O\n0.683211 0.702974 0.363274 O\n0.666580 0.689528 0.838940 O\n0.490219 0.005308 0.248766 O\n0.482056 0.028714 0.762567 O\n0.499717 0.502099 0.253552 O\n0.458998 0.523836 0.739870 O\n0.986238 0.020030 0.257476 O\n0.972062 0.024389 0.740020 O\n0.997058 0.496622 0.249373 O\n0.975766 0.521100 0.750907 O\n0.249993 0.503479 0.254115 O\n0.211922 0.455176 0.753395 O\n0.236150 0.991957 0.246295 O\n0.215458 0.967834 0.735811 O\n0.748199 0.497947 0.249470 O\n0.715784 0.460884 0.736752 O\n0.735406 0.988935 0.245014 O\n0.733862 0.993236 0.750730 O\n",
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"formula_full": "Ba24 Sr8 Co4 Cu28 O80",
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{
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"structure_string": "Ca4 S4 O16\n1.0\n5.395802 0.000000 0.000000\n0.000000 6.885190 0.000000\n0.000000 0.000000 7.903958\nCa S O\n4 4 16\ndirect\n0.250000 0.175762 0.190566 Ca\n0.750000 0.824238 0.809434 Ca\n0.250000 0.324238 0.690566 Ca\n0.750000 0.675762 0.309434 Ca\n0.750000 0.324540 0.946870 S\n0.250000 0.824540 0.553130 S\n0.750000 0.175460 0.446870 S\n0.250000 0.675460 0.053130 S\n0.250000 0.924793 0.388821 O\n0.750000 0.075207 0.611179 O\n0.476830 0.801467 0.064876 O\n0.250000 0.537111 0.197523 O\n0.750000 0.424793 0.111179 O\n0.023170 0.801467 0.064876 O\n0.250000 0.575207 0.888821 O\n0.976830 0.301467 0.435124 O\n0.976830 0.198533 0.935124 O\n0.750000 0.037111 0.302477 O\n0.023170 0.698533 0.564876 O\n0.750000 0.462889 0.802477 O\n0.523170 0.198533 0.935124 O\n0.250000 0.962889 0.697523 O\n0.476830 0.698533 0.564876 O\n0.523170 0.301467 0.435124 O\n",
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"formula_full": "Ca4 S4 O16",
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{
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"structure_string": "Pm1 Ho1 Ru2\n1.0\n0.000000 3.439140 3.439140\n3.439140 0.000000 3.439140\n3.439140 3.439140 0.000000\nPm Ho Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Lu2 Zn4\n1.0\n-2.211906 3.473689 3.751093\n2.211906 -3.473689 3.751093\n2.211906 3.473689 -3.751093\nLu Zn\n2 4\ndirect\n0.786142 0.536142 0.250000 Lu\n0.213858 0.463858 0.750000 Lu\n0.212045 0.165682 0.046364 Zn\n0.787955 0.834318 0.953636 Zn\n0.619318 0.165682 0.453636 Zn\n0.380682 0.834318 0.546364 Zn\n",
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{
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