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{
"id": "mp-705085",
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"structure_string": "Li2 Cr2 P8 O26\n1.0\n5.140011 0.000000 0.000000\n1.152820 7.804416 0.000000\n0.413653 2.615038 13.267962\nLi Cr P O\n2 2 8 26\ndirect\n0.950103 0.644350 0.493051 Li\n0.453330 0.335908 0.996073 Li\n0.450640 0.045842 0.755627 Cr\n0.547543 0.952142 0.242326 Cr\n0.645138 0.424972 0.678627 P\n0.313497 0.656222 0.804154 P\n0.089834 0.803082 0.138055 P\n0.009563 0.104043 0.346386 P\n0.911243 0.196248 0.857036 P\n0.677671 0.345580 0.196321 P\n0.355183 0.577000 0.319661 P\n0.987748 0.893809 0.653053 P\n0.139892 0.640035 0.231018 O\n0.460595 0.285576 0.688790 O\n0.956905 0.262255 0.249217 O\n0.263640 0.939981 0.154135 O\n0.801072 0.879805 0.141397 O\n0.511723 0.402205 0.291295 O\n0.836854 0.965065 0.334851 O\n0.706052 0.489403 0.110649 O\n0.035884 0.734685 0.751922 O\n0.156126 0.032668 0.670181 O\n0.209670 0.133350 0.856676 O\n0.690602 0.964243 0.657784 O\n0.810303 0.253634 0.952546 O\n0.925676 0.175445 0.441782 O\n0.216894 0.533092 0.416519 O\n0.763979 0.481392 0.579732 O\n0.286952 0.510578 0.888838 O\n0.172503 0.746864 0.039862 O\n0.441826 0.811035 0.824812 O\n0.752196 0.054584 0.836262 O\n0.484991 0.594689 0.712332 O\n0.549129 0.708111 0.311029 O\n0.056003 0.817470 0.561494 O\n0.547216 0.196910 0.170278 O\n0.299961 0.032204 0.344533 O\n0.869043 0.359627 0.763269 O\n",
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},
{
"id": "mp-1223761",
"created_at": "2022-09-04T14:40:53.007044Z",
"structure_string": "La2 Ga7 Au1\n1.0\n4.469230 0.000000 0.000000\n0.000000 4.469230 0.000000\n0.000000 0.000000 10.626468\nLa Ga Au\n2 7 1\ndirect\n0.000000 0.000000 0.998083 La\n0.500000 0.500000 0.494294 La\n0.000000 0.500000 0.249853 Ga\n0.500000 0.000000 0.749736 Ga\n0.500000 0.000000 0.249853 Ga\n0.000000 0.500000 0.749736 Ga\n0.000000 0.000000 0.619426 Ga\n0.000000 0.000000 0.383121 Ga\n0.500000 0.500000 0.884142 Ga\n0.500000 0.500000 0.121757 Au\n",
"nsites": 10,
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"Ga",
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],
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"density": 7.532657129646323,
"density_atomic": 0.047113530590231226,
"volume": 212.2532502812144,
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"formula_full": "La2 Ga7 Au1",
"formula_reduced": "La2Ga7Au",
"formula_anonymous": "AB2C7",
"energy": -40.23084883,
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"spacegroup": 99
},
{
"id": "mp-1330228",
"created_at": "2022-09-04T14:40:53.016991Z",
"structure_string": "Ca3 V12 Cu6 O42\n1.0\n8.869493 0.000000 0.000000\n0.000000 10.227163 0.000000\n0.000000 0.308844 10.639023\nCa V Cu O\n3 12 6 42\ndirect\n0.060843 0.000000 0.500000 Ca\n0.451720 0.683737 0.167596 Ca\n0.451720 0.316263 0.832404 Ca\n0.798527 0.541475 0.838902 V\n0.249572 0.633549 0.833720 V\n0.754288 0.130155 0.831702 V\n0.196642 0.038965 0.837959 V\n0.701905 0.211764 0.531114 V\n0.249572 0.366451 0.166280 V\n0.300850 0.706349 0.529914 V\n0.754288 0.869845 0.168298 V\n0.701905 0.788236 0.468886 V\n0.300850 0.293651 0.470086 V\n0.196642 0.961035 0.162041 V\n0.798527 0.458525 0.161098 V\n0.067863 0.659326 0.197115 Cu\n0.932839 0.839090 0.802573 Cu\n0.563762 0.500000 0.500000 Cu\n0.067863 0.340674 0.802885 Cu\n0.435872 0.000000 0.500000 Cu\n0.932839 0.160910 0.197427 Cu\n0.215856 0.211598 0.806925 O\n0.223922 0.539772 0.174878 O\n0.149423 0.000000 0.000000 O\n0.129281 0.344561 0.495448 O\n0.629950 0.829968 0.059141 O\n0.066046 0.962453 0.733117 O\n0.647108 0.192296 0.694450 O\n0.875026 0.848155 0.492146 O\n0.283908 0.122719 0.514850 O\n0.629950 0.170032 0.940859 O\n0.283908 0.877281 0.485150 O\n0.570118 0.124547 0.442910 O\n0.083212 0.278154 0.151447 O\n0.936014 0.464950 0.746486 O\n0.349646 0.315595 0.307012 O\n0.647108 0.807704 0.305550 O\n0.066046 0.037547 0.266883 O\n0.362627 0.660000 0.955357 O\n0.786811 0.710886 0.810856 O\n0.426157 0.380060 0.570502 O\n0.626643 0.518233 0.192408 O\n0.712639 0.376933 0.485784 O\n0.919286 0.777766 0.154716 O\n0.712639 0.623067 0.514216 O\n0.129281 0.655439 0.504552 O\n0.426157 0.619940 0.429498 O\n0.875026 0.151845 0.507854 O\n0.366838 0.011210 0.193915 O\n0.366838 0.988790 0.806085 O\n0.919286 0.222234 0.845284 O\n0.936014 0.535050 0.253514 O\n0.215856 0.788402 0.193075 O\n0.846462 0.500000 0.000000 O\n0.783189 0.039789 0.169760 O\n0.362627 0.340000 0.044643 O\n0.083212 0.721846 0.848553 O\n0.786811 0.289114 0.189144 O\n0.223922 0.460228 0.825122 O\n0.570118 0.875453 0.557090 O\n0.349646 0.684405 0.692988 O\n0.783189 0.960211 0.830240 O\n0.626643 0.481767 0.807592 O\n",
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"O"
],
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"density_atomic": 0.06528070389870501,
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"formula_full": "Ca3 V12 Cu6 O42",
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"formula_anonymous": "AB2C4D14",
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"spacegroup": 3
},
{
"id": "mp-531804",
"created_at": "2022-09-04T14:40:53.028790Z",
"structure_string": "Li9 Mn15 O32\n1.0\n5.871022 0.000000 0.000000\n0.009687 8.437739 0.000000\n0.151149 0.004843 11.792089\nLi Mn O\n9 15 32\ndirect\n0.755910 0.630276 0.755982 Li\n0.253858 0.117512 0.496618 Li\n0.752274 0.254621 0.872291 Li\n0.735976 0.623763 0.253568 Li\n0.252765 0.367024 0.744888 Li\n0.499818 0.997178 0.252759 Li\n0.738910 0.877275 0.492876 Li\n0.259274 0.375676 0.251626 Li\n0.755636 0.877183 0.998593 Li\n0.001207 0.008606 0.749120 Mn\n0.257986 0.748922 0.874884 Mn\n0.509389 0.006036 0.749674 Mn\n0.494229 0.497343 0.498764 Mn\n0.755428 0.246414 0.624664 Mn\n0.995407 0.998950 0.250271 Mn\n0.995230 0.498574 0.497747 Mn\n0.235136 0.751951 0.372000 Mn\n0.245569 0.756966 0.622081 Mn\n0.249118 0.129495 0.006326 Mn\n0.504838 0.497853 0.003140 Mn\n0.751799 0.249716 0.130379 Mn\n0.751586 0.242138 0.374868 Mn\n0.998735 0.498789 0.001128 Mn\n0.249074 0.747536 0.127569 Mn\n0.752225 0.500642 0.897751 O\n0.032955 0.771772 0.751033 O\n0.257008 0.491391 0.895527 O\n0.252331 0.011639 0.857142 O\n0.256706 0.991168 0.639579 O\n0.488684 0.774556 0.758330 O\n0.525313 0.231276 0.736585 O\n0.539194 0.244682 0.498929 O\n0.753536 0.007319 0.855368 O\n0.758583 0.012419 0.636574 O\n0.755793 0.477605 0.614770 O\n0.747920 0.480160 0.390148 O\n0.982826 0.231680 0.736631 O\n0.980125 0.265187 0.497153 O\n0.997025 0.725591 0.489961 O\n0.013452 0.764846 0.246927 O\n0.233329 0.515775 0.384646 O\n0.221934 0.974641 0.364361 O\n0.243105 0.513591 0.606802 O\n0.238572 0.974368 0.134319 O\n0.452762 0.751250 0.492376 O\n0.451867 0.745032 0.250396 O\n0.541727 0.251470 0.254974 O\n0.522768 0.270931 0.016305 O\n0.764519 0.020058 0.363808 O\n0.770936 0.026490 0.132056 O\n0.751128 0.489324 0.114230 O\n0.982512 0.232623 0.251254 O\n0.979446 0.273790 0.010909 O\n0.030720 0.732199 0.000270 O\n0.245994 0.514533 0.113616 O\n0.475849 0.732197 0.005454 O\n",
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"formula_full": "Li9 Mn15 O32",
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{
"id": "mp-1199640",
"created_at": "2022-09-04T14:40:53.199643Z",
"structure_string": "Fe4 As2 H38 S2 O36\n1.0\n7.546856 0.009127 -1.223190\n-1.331187 9.368325 -4.418288\n0.112768 0.026210 11.037048\nFe As H S O\n4 2 38 2 36\ndirect\n0.692907 0.199324 0.723206 Fe\n0.307093 0.800676 0.276794 Fe\n0.865720 0.178686 0.419972 Fe\n0.134280 0.821314 0.580028 Fe\n0.268813 0.117666 0.544899 As\n0.731187 0.882334 0.455101 As\n0.694414 0.061525 0.877239 H\n0.305586 0.938475 0.122761 H\n0.517895 0.137313 0.899788 H\n0.482105 0.862687 0.100212 H\n0.423719 0.585322 0.850339 H\n0.576281 0.414678 0.149661 H\n0.383887 0.422133 0.815450 H\n0.616113 0.577867 0.184550 H\n0.863184 0.479595 0.211866 H\n0.136816 0.520405 0.788134 H\n0.036043 0.399431 0.191627 H\n0.963957 0.600569 0.808373 H\n0.022563 0.227235 0.900396 H\n0.977437 0.772765 0.099604 H\n0.038093 0.132691 0.743213 H\n0.961907 0.867309 0.256787 H\n0.799527 0.445773 0.480001 H\n0.200473 0.554227 0.519999 H\n0.919888 0.403765 0.360966 H\n0.080112 0.596235 0.639034 H\n0.023722 0.109847 0.193454 H\n0.976278 0.890153 0.806546 H\n0.820889 0.027197 0.154748 H\n0.179111 0.972803 0.845252 H\n0.691901 0.430848 0.970385 H\n0.308099 0.569152 0.029615 H\n0.760352 0.498170 0.877108 H\n0.239648 0.501830 0.122892 H\n0.375882 0.408763 0.384324 H\n0.624118 0.591237 0.615676 H\n0.254700 0.344982 0.458282 H\n0.745300 0.655018 0.541718 H\n0.885156 0.356429 0.658906 H\n0.114844 0.643571 0.341094 H\n0.497415 0.101066 0.353883 H\n0.502585 0.898934 0.646117 H\n0.548582 0.202469 0.282350 H\n0.451418 0.797531 0.717650 H\n0.287293 0.204561 0.086152 S\n0.712707 0.795439 0.913848 S\n0.132605 0.219575 0.495893 O\n0.867395 0.780425 0.504107 O\n0.804661 0.264005 0.606141 O\n0.195339 0.735995 0.393859 O\n0.153406 0.024190 0.610998 O\n0.846594 0.975810 0.389002 O\n0.639083 0.144624 0.876474 O\n0.360917 0.855376 0.123526 O\n0.442090 0.230805 0.671312 O\n0.557910 0.769195 0.328688 O\n0.210336 0.105535 0.135656 O\n0.789664 0.894465 0.864344 O\n0.331629 0.119251 0.949911 O\n0.668371 0.880749 0.050089 O\n0.723121 0.407449 0.879160 O\n0.276879 0.592551 0.120840 O\n0.348958 0.007463 0.403146 O\n0.651042 0.992537 0.596854 O\n0.906344 0.111154 0.223313 O\n0.093656 0.888846 0.776687 O\n0.450956 0.294413 0.186349 O\n0.549044 0.705587 0.813651 O\n0.958124 0.185743 0.804541 O\n0.041876 0.814257 0.195459 O\n0.596096 0.144601 0.327984 O\n0.403904 0.855399 0.672016 O\n0.155212 0.300858 0.070973 O\n0.844788 0.699142 0.929026 O\n0.873580 0.371974 0.425764 O\n0.126420 0.628026 0.574236 O\n0.346218 0.515657 0.866169 O\n0.653782 0.484343 0.133831 O\n0.980950 0.472692 0.260649 O\n0.019050 0.527308 0.739351 O\n0.315250 0.433002 0.461442 O\n0.684750 0.566998 0.538558 O\n",
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{
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"structure_string": "Sr10 V6 Br2 O24\n1.0\n5.227794 -9.054805 0.000000\n5.227794 9.054805 0.000000\n0.000000 0.000000 7.381413\nSr V Br O\n10 6 2 24\ndirect\n0.333333 0.666667 0.497524 Sr\n0.666667 0.333333 0.997524 Sr\n0.666667 0.333333 0.502476 Sr\n0.333333 0.666667 0.002476 Sr\n0.740841 0.740273 0.250000 Sr\n0.999432 0.259159 0.250000 Sr\n0.259727 0.000568 0.250000 Sr\n0.259159 0.259727 0.750000 Sr\n0.000568 0.740841 0.750000 Sr\n0.740273 0.999432 0.750000 Sr\n0.965460 0.594028 0.250000 V\n0.628568 0.034540 0.250000 V\n0.405972 0.371432 0.250000 V\n0.034540 0.405972 0.750000 V\n0.371432 0.965460 0.750000 V\n0.594028 0.628568 0.750000 V\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Br\n0.156763 0.667111 0.250000 O\n0.510347 0.843237 0.250000 O\n0.332889 0.489653 0.250000 O\n0.843237 0.332889 0.750000 O\n0.489653 0.156763 0.750000 O\n0.667111 0.510347 0.750000 O\n0.868094 0.400303 0.250000 O\n0.532208 0.131906 0.250000 O\n0.599697 0.467792 0.250000 O\n0.131906 0.599697 0.750000 O\n0.467792 0.868094 0.750000 O\n0.400303 0.532208 0.750000 O\n0.903098 0.647138 0.437201 O\n0.744040 0.096902 0.437201 O\n0.352862 0.255960 0.437201 O\n0.096902 0.352862 0.937201 O\n0.255960 0.903098 0.937201 O\n0.647138 0.744040 0.937201 O\n0.096902 0.352862 0.562799 O\n0.255960 0.903098 0.562799 O\n0.647138 0.744040 0.562799 O\n0.903098 0.647138 0.062799 O\n0.744040 0.096902 0.062799 O\n0.352862 0.255960 0.062799 O\n",
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{
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