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{
"id": "mp-1029112",
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{
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{
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"created_at": "2022-09-04T14:47:09.119429Z",
"structure_string": "Sb1 Br6 N2\n1.0\n0.000000 5.400482 5.400482\n5.400482 0.000000 5.400482\n5.400482 5.400482 0.000000\nSb Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sb\n0.760440 0.239560 0.239560 Br\n0.239560 0.760440 0.760440 Br\n0.239560 0.760440 0.239560 Br\n0.760440 0.239560 0.760440 Br\n0.239560 0.239560 0.760440 Br\n0.760440 0.760440 0.239560 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"formula_full": "Sb1 Br6 N2",
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{
"id": "mp-1237097",
"created_at": "2022-09-04T14:47:09.115441Z",
"structure_string": "Be4 Ni2 N4 O12 F16\n1.0\n-5.379526 0.000000 1.149105\n-0.820611 0.000000 -7.515805\n0.000000 -12.106528 0.000000\nBe Ni N O F\n4 2 4 12 16\ndirect\n0.713499 0.548611 0.865451 Be\n0.286501 0.451389 0.134549 Be\n0.286501 0.951389 0.365451 Be\n0.713499 0.048611 0.634549 Be\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.824595 0.620320 0.219692 N\n0.175405 0.379680 0.780308 N\n0.175405 0.879680 0.719692 N\n0.824595 0.120320 0.280308 N\n0.792174 0.005147 0.938977 O\n0.207826 0.994853 0.061023 O\n0.207826 0.494853 0.438977 O\n0.792174 0.505147 0.561023 O\n0.432049 0.688140 0.581207 O\n0.567951 0.311860 0.418793 O\n0.567951 0.811860 0.081207 O\n0.432049 0.188140 0.918793 O\n0.214686 0.843220 0.806583 O\n0.785314 0.156780 0.193417 O\n0.785314 0.656780 0.306583 O\n0.214686 0.343220 0.693417 O\n0.895648 0.553404 0.765300 F\n0.104352 0.446596 0.234700 F\n0.104352 0.946596 0.265300 F\n0.895648 0.053404 0.734700 F\n0.798923 0.713677 0.942785 F\n0.201077 0.286324 0.057215 F\n0.201077 0.786323 0.442785 F\n0.798923 0.213676 0.557215 F\n0.737722 0.874151 0.566568 F\n0.262278 0.125849 0.433432 F\n0.262278 0.625849 0.066568 F\n0.737722 0.374151 0.933432 F\n0.452596 0.568840 0.820764 F\n0.547404 0.431160 0.179236 F\n0.547404 0.931160 0.320764 F\n0.452596 0.068840 0.679236 F\n",
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"formula_full": "Be4 Ni2 N4 O12 F16",
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"spacegroup": 14
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{
"id": "mp-754515",
"created_at": "2022-09-04T14:47:09.111295Z",
"structure_string": "Ba2 Mg2 Ge2\n1.0\n4.697537 0.000000 0.000000\n0.000000 4.697537 0.000000\n0.000000 0.000000 7.955978\nBa Mg Ge\n2 2 2\ndirect\n0.000000 0.500000 0.336725 Ba\n0.500000 0.000000 0.663275 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.792930 Ge\n0.500000 0.000000 0.207070 Ge\n",
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"density": 4.43165032792543,
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"volume": 175.5634038900467,
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"formula_full": "Ba2 Mg2 Ge2",
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{
"id": "mp-1228571",
"created_at": "2022-09-04T14:47:09.110062Z",
"structure_string": "Ba2 Pr2 Co4 O11\n1.0\n-2.830062 2.830062 7.681991\n2.830062 -2.830062 7.681991\n2.830062 2.830062 -7.681991\nBa Pr Co O\n2 2 4 11\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.374810 0.374810 0.000000 Co\n0.879119 0.879119 0.000000 Co\n0.625190 0.625190 0.000000 Co\n0.120881 0.120881 0.000000 Co\n0.157855 0.157855 0.525564 O\n0.632291 0.632291 0.474436 O\n0.367709 0.367709 0.525564 O\n0.842145 0.842145 0.474436 O\n0.632291 0.157855 0.000000 O\n0.157855 0.632291 0.000000 O\n0.367709 0.842145 0.000000 O\n0.842145 0.367709 0.000000 O\n0.238951 0.238951 0.000000 O\n0.761049 0.761049 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1025175",
"created_at": "2022-09-04T14:47:09.108557Z",
"structure_string": "Lu2 Cr2 C3\n1.0\n1.636673 5.226565 0.000000\n-1.636673 5.226565 0.000000\n0.000000 1.579858 5.238717\nLu Cr C\n2 2 3\ndirect\n0.390057 0.390057 0.316049 Lu\n0.609943 0.609943 0.683951 Lu\n0.154015 0.154015 0.115432 Cr\n0.845985 0.845985 0.884568 Cr\n0.721753 0.721753 0.238714 C\n0.278247 0.278247 0.761286 C\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-685395",
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"structure_string": "Li17 W19 O57\n1.0\n8.832665 0.000000 0.000000\n3.523727 8.111118 0.000000\n1.756252 3.033122 16.382807\nLi W O\n17 19 57\ndirect\n0.340507 0.739086 0.814863 Li\n0.818268 0.525478 0.868428 Li\n0.287877 0.313731 0.921286 Li\n0.764089 0.102566 0.974786 Li\n0.235911 0.897434 0.025214 Li\n0.712123 0.686269 0.078714 Li\n0.181732 0.474522 0.131572 Li\n0.659493 0.260914 0.185137 Li\n0.607149 0.840360 0.290454 Li\n0.077921 0.631396 0.342590 Li\n0.554681 0.421006 0.394758 Li\n0.025927 0.207962 0.448628 Li\n0.500000 0.000000 0.500000 Li\n0.974073 0.792038 0.551372 Li\n0.445319 0.578994 0.605242 Li\n0.922079 0.368604 0.657410 Li\n0.392851 0.159640 0.709546 Li\n0.606137 0.339664 0.788974 W\n0.079938 0.131656 0.841473 W\n0.555213 0.917923 0.894445 W\n0.024689 0.712684 0.946714 W\n0.500000 0.500000 0.000000 W\n0.975311 0.287316 0.053286 W\n0.444787 0.082077 0.105555 W\n0.920062 0.868344 0.158527 W\n0.393863 0.660336 0.211026 W\n0.870810 0.445363 0.262285 W\n0.341855 0.235523 0.315297 W\n0.818041 0.025934 0.367321 W\n0.287702 0.817195 0.420649 W\n0.764269 0.605050 0.473625 W\n0.235731 0.394950 0.526375 W\n0.712298 0.182805 0.579351 W\n0.181959 0.974066 0.632679 W\n0.658145 0.764477 0.684703 W\n0.129190 0.554637 0.737715 W\n0.597309 0.846012 0.791567 O\n0.080867 0.621877 0.842859 O\n0.103501 0.341716 0.787725 O\n0.372406 0.445419 0.761911 O\n0.554527 0.419091 0.891431 O\n0.574375 0.140065 0.842208 O\n0.839842 0.240873 0.814359 O\n0.059216 0.912672 0.897912 O\n0.025901 0.211766 0.945612 O\n0.311106 0.028774 0.871433 O\n0.500000 0.000000 0.000000 O\n0.524393 0.712053 0.949322 O\n0.787924 0.810794 0.925503 O\n0.974099 0.788234 0.054388 O\n0.000000 0.500000 0.000000 O\n0.267978 0.598538 0.974653 O\n0.475607 0.287947 0.050678 O\n0.445473 0.580909 0.108569 O\n0.732022 0.401462 0.025347 O\n0.919133 0.378123 0.157141 O\n0.940784 0.087328 0.102088 O\n0.212076 0.189206 0.074497 O\n0.402691 0.153988 0.208433 O\n0.425625 0.859935 0.157792 O\n0.688894 0.971226 0.128567 O\n0.896499 0.658284 0.212275 O\n0.856496 0.947204 0.265623 O\n0.160158 0.759127 0.185641 O\n0.367365 0.452580 0.260871 O\n0.345287 0.730946 0.313655 O\n0.627594 0.554581 0.238089 O\n0.831552 0.242465 0.316464 O\n0.815982 0.522115 0.366382 O\n0.113473 0.343030 0.289418 O\n0.317693 0.021220 0.371699 O\n0.292477 0.319147 0.421735 O\n0.572052 0.134279 0.339366 O\n0.786924 0.810153 0.422232 O\n0.758848 0.103781 0.471078 O\n0.048267 0.918686 0.398927 O\n0.264979 0.609304 0.471516 O\n0.241152 0.896219 0.528922 O\n0.526945 0.705771 0.447115 O\n0.735021 0.390696 0.528484 O\n0.707523 0.680853 0.578265 O\n0.000000 0.500000 0.500000 O\n0.184018 0.477885 0.633618 O\n0.213076 0.189847 0.577768 O\n0.473055 0.294229 0.552885 O\n0.654713 0.269054 0.686345 O\n0.682307 0.978780 0.628301 O\n0.951733 0.081314 0.601073 O\n0.143504 0.052796 0.734377 O\n0.168448 0.757535 0.683536 O\n0.427948 0.865721 0.660634 O\n0.632635 0.547420 0.739129 O\n0.886527 0.656970 0.710582 O\n",
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{
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"structure_string": "Li4 Mn4 F20\n1.0\n9.029647 0.000000 0.000000\n0.000000 5.274885 0.000000\n0.000000 4.798482 7.848784\nLi Mn F\n4 4 20\ndirect\n0.400524 0.176996 0.710724 Li\n0.099476 0.176996 0.210724 Li\n0.900524 0.823004 0.789276 Li\n0.599476 0.823004 0.289276 Li\n0.621729 0.500104 0.877568 Mn\n0.121729 0.499896 0.622432 Mn\n0.878271 0.500104 0.377568 Mn\n0.378271 0.499896 0.122432 Mn\n0.716428 0.209391 0.876457 F\n0.201202 0.187878 0.807980 F\n0.227874 0.455319 0.005408 F\n0.975993 0.527771 0.750439 F\n0.484803 0.773369 0.906584 F\n0.984803 0.226631 0.593416 F\n0.475993 0.472229 0.749561 F\n0.783572 0.209391 0.376457 F\n0.727874 0.544681 0.494592 F\n0.298798 0.187878 0.307980 F\n0.701202 0.812122 0.692020 F\n0.272126 0.455319 0.505408 F\n0.216428 0.790609 0.623543 F\n0.524007 0.527771 0.250439 F\n0.015197 0.773369 0.406584 F\n0.515197 0.226631 0.093416 F\n0.024007 0.472229 0.249561 F\n0.772126 0.544681 0.994592 F\n0.798798 0.812122 0.192020 F\n0.283572 0.790609 0.123543 F\n",
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{
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"elements": [
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],
"chemical_system": "Al-O",
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"density_atomic": 0.08875723032179399,
"volume": 1126.668775461388,
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"updated_at": "2021-11-28T01:37:54.338000Z",
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},
{
"id": "mp-1093787",
"created_at": "2022-09-04T14:47:09.097365Z",
"structure_string": "Y2 Ag1 Au1\n1.0\n-5.632292 6.197592 8.706933\n5.632292 -6.197592 8.706933\n5.632292 6.197592 -8.706933\nY Ag Au\n2 1 1\ndirect\n0.000000 0.262638 0.262638 Y\n0.000000 0.737362 0.737362 Y\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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],
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},
{
"id": "mp-677563",
"created_at": "2022-09-04T14:47:09.094608Z",
"structure_string": "Zn3 Cu3 Hg12 As21 S36\n1.0\n8.861013 0.190232 -2.921190\n-4.377419 7.789661 -3.397322\n0.503447 -0.382181 28.229757\nZn Cu Hg As S\n3 3 12 21 36\ndirect\n0.229356 0.731356 0.833042 Zn\n0.251904 0.750513 0.499976 Zn\n0.221253 0.732972 0.162245 Zn\n0.770887 0.510482 0.759142 Cu\n0.769682 0.507855 0.417019 Cu\n0.739683 0.490095 0.081606 Cu\n0.225784 0.472195 0.913807 Hg\n0.508238 0.759624 0.754299 Hg\n0.253145 0.511496 0.587360 Hg\n0.515598 0.304287 0.923582 Hg\n0.756239 0.238216 0.832496 Hg\n0.504065 0.724184 0.407203 Hg\n0.245599 0.549408 0.252800 Hg\n0.515376 0.261843 0.588882 Hg\n0.765204 0.250917 0.498530 Hg\n0.492224 0.740618 0.100165 Hg\n0.512496 0.265425 0.250939 Hg\n0.748851 0.251811 0.163959 Hg\n0.994316 0.885026 0.693054 As\n0.009077 0.981202 0.833054 As\n0.001551 0.467548 0.671364 As\n0.986775 0.931802 0.379338 As\n0.167724 0.174783 0.716014 As\n0.540309 0.535829 0.846268 As\n0.016096 0.999693 0.492470 As\n0.008888 0.476148 0.335423 As\n0.166313 0.199132 0.385424 As\n0.467610 0.012669 0.670779 As\n0.551059 0.546336 0.515238 As\n0.990081 0.963519 0.157127 As\n0.998338 0.488637 0.004404 As\n0.023488 0.936836 0.616305 As\n0.178116 0.018598 0.297366 As\n0.459862 0.003016 0.328636 As\n0.500110 0.511353 0.169068 As\n0.857847 0.037291 0.661241 As\n0.491349 0.030357 0.009256 As\n0.846461 0.053338 0.334506 As\n0.696973 0.885509 0.949496 As\n0.998892 0.544656 0.931940 S\n0.227227 0.214297 0.926184 S\n0.994669 0.532567 0.598696 S\n0.220929 0.743210 0.750952 S\n0.999775 0.756083 0.495969 S\n0.265943 0.497141 0.831541 S\n0.522427 0.501404 0.759746 S\n0.221868 0.228172 0.585917 S\n0.470826 0.244810 0.824303 S\n0.969883 0.732577 0.165918 S\n0.232293 0.744160 0.411292 S\n0.983167 0.534877 0.259889 S\n0.793537 0.005979 0.855037 S\n0.270548 0.503947 0.496243 S\n0.509539 0.988029 0.922415 S\n0.532123 0.794073 0.670712 S\n0.496993 0.982497 0.587903 S\n0.524594 0.480613 0.425259 S\n0.199186 0.181932 0.254662 S\n0.002261 0.756846 0.847361 S\n0.488592 0.268015 0.495058 S\n0.217670 0.763117 0.080504 S\n0.223070 0.470933 0.148240 S\n0.783152 0.519552 0.679881 S\n0.742652 0.239914 0.741267 S\n0.543481 0.693545 0.321007 S\n0.446220 0.238089 0.150653 S\n0.479580 0.455412 0.079032 S\n0.783543 0.524880 0.338908 S\n0.781715 0.994854 0.504580 S\n0.744694 0.236538 0.397338 S\n0.476355 0.974876 0.246657 S\n0.557252 0.804785 0.998878 S\n0.774809 0.998514 0.178228 S\n0.782470 0.550021 0.012248 S\n0.760137 0.247170 0.072705 S\n",
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}
]
}