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{
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{
"id": "mp-29693",
"created_at": "2022-09-04T14:45:02.823754Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.543757 0.000000 0.000000\n0.000000 9.384759 0.000000\n0.000000 0.000000 18.211823\nRb Ag Cl\n8 4 12\ndirect\n0.750000 0.578442 0.213496 Rb\n0.750000 0.239441 0.543221 Rb\n0.250000 0.260559 0.043221 Rb\n0.750000 0.739441 0.956779 Rb\n0.750000 0.078442 0.286504 Rb\n0.250000 0.921558 0.713496 Rb\n0.250000 0.421558 0.786504 Rb\n0.250000 0.760559 0.456779 Rb\n0.250000 0.377224 0.368533 Ag\n0.750000 0.622776 0.631467 Ag\n0.250000 0.877224 0.131467 Ag\n0.750000 0.122776 0.868533 Ag\n0.750000 0.505379 0.401529 Cl\n0.250000 0.494621 0.598471 Cl\n0.750000 0.005379 0.098471 Cl\n0.250000 0.994621 0.901529 Cl\n0.250000 0.316961 0.227510 Cl\n0.750000 0.683039 0.772490 Cl\n0.250000 0.816961 0.272490 Cl\n0.750000 0.183039 0.727510 Cl\n0.250000 0.123551 0.427188 Cl\n0.750000 0.376449 0.927188 Cl\n0.250000 0.623551 0.072812 Cl\n0.750000 0.876449 0.572812 Cl\n",
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{
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"structure_string": "Sb2 H72 S8 N22\n1.0\n12.916581 0.000000 0.000000\n0.000000 8.719966 0.000000\n0.000000 1.669299 9.613031\nSb H S N\n2 72 8 22\ndirect\n0.872333 0.283708 0.322564 Sb\n0.372333 0.716292 0.677436 Sb\n0.909946 0.866463 0.854262 H\n0.409946 0.133537 0.145738 H\n0.895499 0.779998 0.016233 H\n0.395499 0.220002 0.983767 H\n0.800232 0.782675 0.905931 H\n0.300232 0.217325 0.094069 H\n0.842913 0.651165 0.602673 H\n0.342913 0.348835 0.397327 H\n0.752750 0.560640 0.719486 H\n0.252750 0.439360 0.280514 H\n0.725935 0.575051 0.545802 H\n0.225935 0.424949 0.454198 H\n0.822821 0.454971 0.617833 H\n0.322821 0.545029 0.382167 H\n0.717262 0.853006 0.210149 H\n0.217262 0.146994 0.789851 H\n0.751333 0.850006 0.379008 H\n0.251333 0.149994 0.620992 H\n0.816726 0.730578 0.279572 H\n0.316726 0.269422 0.720428 H\n0.835953 0.925550 0.249819 H\n0.335953 0.074450 0.750181 H\n0.094050 0.887410 0.268808 H\n0.594050 0.112590 0.731192 H\n0.090859 0.696592 0.280829 H\n0.590859 0.303408 0.719171 H\n0.187746 0.781230 0.353354 H\n0.687746 0.218770 0.646646 H\n0.018157 0.775364 0.627240 H\n0.518157 0.224636 0.372760 H\n0.972679 0.783634 0.470728 H\n0.472679 0.216366 0.529272 H\n0.937176 0.915198 0.561752 H\n0.437176 0.084802 0.438248 H\n0.560162 0.512658 0.510378 H\n0.060162 0.487342 0.489622 H\n0.585140 0.657092 0.386938 H\n0.085140 0.342908 0.613062 H\n0.632813 0.481487 0.376153 H\n0.132813 0.518513 0.623847 H\n0.628242 0.880031 0.578033 H\n0.128242 0.119969 0.421967 H\n0.677097 0.029468 0.471602 H\n0.177097 0.970532 0.528398 H\n0.748580 0.937471 0.595646 H\n0.248580 0.062529 0.404354 H\n0.853849 0.257022 0.914763 H\n0.353849 0.742978 0.085237 H\n0.822167 0.060221 0.950336 H\n0.322167 0.939779 0.049664 H\n0.733841 0.191590 0.866188 H\n0.233841 0.808410 0.133812 H\n0.766063 0.192880 0.037835 H\n0.266063 0.807120 0.962165 H\n0.954886 0.451904 0.993579 H\n0.454886 0.548096 0.006421 H\n0.884150 0.530135 0.862502 H\n0.384150 0.469865 0.137498 H\n0.000158 0.466528 0.834059 H\n0.500158 0.533472 0.165941 H\n0.597119 0.026589 0.137201 H\n0.097119 0.973411 0.862799 H\n0.530614 0.870741 0.203975 H\n0.030614 0.129259 0.796025 H\n0.559352 0.900913 0.037036 H\n0.059352 0.099087 0.962964 H\n0.109407 0.491282 0.145006 H\n0.609407 0.508718 0.854994 H\n0.140770 0.330207 0.097216 H\n0.640770 0.669793 0.902784 H\n0.189948 0.495000 0.013327 H\n0.689948 0.505000 0.986673 H\n0.881493 0.212600 0.567296 S\n0.381493 0.787400 0.432704 S\n0.935588 0.541003 0.254057 S\n0.435588 0.458997 0.745943 S\n0.973291 0.109868 0.217841 S\n0.473291 0.890132 0.782159 S\n0.699251 0.275618 0.239872 S\n0.199251 0.724382 0.760128 S\n0.858657 0.849358 0.935170 N\n0.358657 0.150642 0.064830 N\n0.787050 0.561413 0.621880 N\n0.287050 0.438587 0.378120 N\n0.780900 0.838097 0.278970 N\n0.280900 0.161903 0.721030 N\n0.139719 0.790950 0.268343 N\n0.639719 0.209050 0.731657 N\n0.951819 0.797754 0.569123 N\n0.451819 0.202246 0.430877 N\n0.617464 0.558625 0.442562 N\n0.117464 0.441375 0.557438 N\n0.693846 0.919860 0.524177 N\n0.193846 0.080140 0.475823 N\n0.794371 0.174713 0.942083 N\n0.294371 0.825287 0.057917 N\n0.935175 0.441643 0.893583 N\n0.435175 0.558357 0.106417 N\n0.587577 0.910528 0.133583 N\n0.087577 0.089472 0.866417 N\n0.171909 0.434879 0.110523 N\n0.671909 0.565121 0.889477 N\n",
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"N"
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"density_atomic": 0.09605293354134993,
"volume": 1082.7363222095546,
"volume_molar": 6.269606286837166,
"formula_full": "Sb2 H72 S8 N22",
"formula_reduced": "SbH36S4N11",
"formula_anonymous": "AB4C11D36",
"energy": -516.65027717,
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"updated_at": "2021-11-28T01:36:50.792000Z",
"spacegroup": 4
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{
"id": "mp-997003",
"created_at": "2022-09-04T14:45:02.997756Z",
"structure_string": "La2 Au2 O4\n1.0\n1.950890 -3.379041 0.000000\n1.950890 3.379041 0.000000\n0.000000 0.000000 12.052483\nLa Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.581235 O\n0.333333 0.666667 0.081235 O\n0.333333 0.666667 0.418765 O\n0.666667 0.333333 0.918765 O\n",
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{
"id": "mp-759212",
"created_at": "2022-09-04T14:45:03.036779Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.686607 0.000000 0.000000\n0.000000 6.103655 0.000000\n0.000000 0.000000 10.174976\nLi Co Si O\n4 4 4 16\ndirect\n0.037600 0.750000 0.280886 Li\n0.462400 0.750000 0.780886 Li\n0.537600 0.250000 0.219114 Li\n0.962400 0.250000 0.719114 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.090761 0.250000 0.412744 Si\n0.409239 0.250000 0.912744 Si\n0.590761 0.750000 0.087256 Si\n0.909239 0.750000 0.587256 Si\n0.266202 0.250000 0.560309 O\n0.239748 0.024334 0.355408 O\n0.239748 0.475666 0.355408 O\n0.247534 0.750000 0.088886 O\n0.252466 0.750000 0.588886 O\n0.260252 0.475666 0.855408 O\n0.260252 0.024334 0.855408 O\n0.233798 0.250000 0.060309 O\n0.766202 0.750000 0.939691 O\n0.739748 0.524334 0.144592 O\n0.739748 0.975666 0.144592 O\n0.747534 0.250000 0.411114 O\n0.752466 0.250000 0.911114 O\n0.760252 0.975666 0.644592 O\n0.760252 0.524334 0.644592 O\n0.733798 0.750000 0.439691 O\n",
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{
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"structure_string": "K18 S6 I6\n1.0\n6.998291 -12.121396 0.000000\n6.998291 12.121396 0.000000\n0.000000 0.000000 8.213291\nK S I\n18 6 6\ndirect\n0.155524 0.000000 0.185781 K\n0.000000 0.155524 0.185781 K\n0.844476 0.000000 0.685781 K\n0.000000 0.844476 0.685781 K\n0.844476 0.844476 0.185781 K\n0.155524 0.155524 0.685781 K\n0.178102 0.511323 0.141962 K\n0.488677 0.666779 0.141962 K\n0.821898 0.488677 0.641962 K\n0.488677 0.821898 0.641962 K\n0.333221 0.821898 0.141962 K\n0.511323 0.333221 0.641962 K\n0.333221 0.511323 0.641962 K\n0.511323 0.178102 0.141962 K\n0.666779 0.178102 0.641962 K\n0.666779 0.488677 0.141962 K\n0.178102 0.666779 0.641962 K\n0.821898 0.333221 0.141962 K\n0.333333 0.666667 0.393474 S\n0.666667 0.333333 0.893474 S\n0.333333 0.666667 0.893474 S\n0.666667 0.333333 0.393474 S\n0.000000 0.000000 0.935472 S\n0.000000 0.000000 0.435472 S\n0.666503 0.000000 0.186776 I\n0.000000 0.666503 0.186776 I\n0.333497 0.000000 0.686776 I\n0.000000 0.333497 0.686776 I\n0.333497 0.333497 0.186776 I\n0.666503 0.666503 0.686776 I\n",
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{
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"structure_string": "Sr3 Ca1 I8\n1.0\n5.664109 5.645719 0.000000\n-5.664109 5.645719 0.000000\n0.000000 5.613845 7.997305\nSr Ca I\n3 1 8\ndirect\n0.749532 0.246614 0.498036 Sr\n0.498230 0.498230 0.000343 Sr\n0.246614 0.749532 0.498036 Sr\n0.999472 0.999472 0.000479 Ca\n0.876272 0.876272 0.749814 I\n0.872726 0.364552 0.755148 I\n0.629565 0.629565 0.246062 I\n0.624855 0.118975 0.247426 I\n0.370624 0.370624 0.750603 I\n0.364552 0.872726 0.755148 I\n0.120236 0.120236 0.242644 I\n0.118975 0.624855 0.247426 I\n",
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{
"id": "mp-1182022",
"created_at": "2022-09-04T14:45:08.835833Z",
"structure_string": "Bi4 Se4\n1.0\n7.639127 0.000000 0.000000\n0.000000 5.774935 0.000000\n0.000000 5.571305 6.148383\nBi Se\n4 4\ndirect\n0.816874 0.629498 0.888949 Bi\n0.683126 0.629498 0.388949 Bi\n0.183126 0.370502 0.111051 Bi\n0.316874 0.370502 0.611051 Bi\n0.849344 0.247684 0.783893 Se\n0.650656 0.247684 0.283893 Se\n0.150656 0.752316 0.216107 Se\n0.349344 0.752316 0.716107 Se\n",
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{
"id": "mp-755727",
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"structure_string": "Li8 Mn2 V4 W2 O24\n1.0\n5.339623 -2.877018 4.159185\n0.578571 6.051081 4.163873\n-5.350142 -2.863127 4.182193\nLi Mn V W O\n8 2 4 2 24\ndirect\n0.787412 0.311621 0.211229 Li\n0.287394 0.311609 0.711198 Li\n0.799266 0.773633 0.705120 Li\n0.299239 0.773565 0.205104 Li\n0.274331 0.758365 0.716964 Li\n0.774310 0.758370 0.216938 Li\n0.288319 0.308226 0.216904 Li\n0.788350 0.308212 0.716883 Li\n0.506458 0.507149 0.994416 Mn\n0.006479 0.507255 0.494404 Mn\n0.005754 0.511856 0.994152 V\n0.505819 0.511884 0.494145 V\n0.014285 0.004835 0.485822 V\n0.514302 0.004827 0.985807 V\n0.505788 0.006585 0.490866 W\n0.005788 0.006572 0.990852 W\n0.747081 0.433296 0.961098 O\n0.247127 0.433327 0.461121 O\n0.928869 0.746611 0.955146 O\n0.428874 0.746622 0.455171 O\n0.925538 0.051296 0.754077 O\n0.425541 0.051287 0.254075 O\n0.040977 0.438320 0.763935 O\n0.540998 0.438323 0.263935 O\n0.743727 0.928797 0.443013 O\n0.243713 0.928786 0.943061 O\n0.041053 0.749169 0.569758 O\n0.540971 0.749169 0.069752 O\n0.937457 0.230961 0.451464 O\n0.437459 0.230957 0.951460 O\n0.242552 0.049981 0.571437 O\n0.742533 0.049974 0.071444 O\n0.933780 0.541270 0.254868 O\n0.433786 0.541264 0.754893 O\n0.056483 0.930061 0.257091 O\n0.556450 0.930077 0.757023 O\n0.054127 0.242402 0.069876 O\n0.554209 0.242401 0.569838 O\n0.237887 0.546729 0.061669 O\n0.737918 0.546758 0.561591 O\n",
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{
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{
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"structure_string": "Tm20 Ir12\n1.0\n10.741687 0.000000 0.000000\n0.000000 10.741687 0.000000\n0.000000 0.000000 6.306858\nTm Ir\n20 12\ndirect\n0.291095 0.087795 0.377294 Tm\n0.291095 0.912205 0.877294 Tm\n0.708905 0.087795 0.877294 Tm\n0.708905 0.912205 0.377294 Tm\n0.587795 0.791095 0.877294 Tm\n0.587795 0.208905 0.377294 Tm\n0.412205 0.791095 0.377294 Tm\n0.412205 0.208905 0.877294 Tm\n0.208905 0.412205 0.622706 Tm\n0.208905 0.587795 0.122706 Tm\n0.791095 0.412205 0.122706 Tm\n0.791095 0.587795 0.622706 Tm\n0.912205 0.708905 0.122706 Tm\n0.912205 0.291095 0.622706 Tm\n0.087795 0.708905 0.622706 Tm\n0.087795 0.291095 0.122706 Tm\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.846366 0.153634 0.250000 Ir\n0.846366 0.846366 0.750000 Ir\n0.153634 0.153634 0.750000 Ir\n0.153634 0.846366 0.250000 Ir\n0.653634 0.346366 0.750000 Ir\n0.653634 0.653634 0.250000 Ir\n0.346366 0.346366 0.250000 Ir\n0.346366 0.653634 0.750000 Ir\n0.500000 0.000000 0.120966 Ir\n0.500000 0.000000 0.620966 Ir\n0.000000 0.500000 0.879034 Ir\n0.000000 0.500000 0.379034 Ir\n",
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{
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"created_at": "2022-09-04T14:45:02.966018Z",
"structure_string": "Eu6 W1 O12\n1.0\n4.335032 -5.015756 0.000000\n4.335032 5.015756 0.000000\n-1.468342 0.000000 6.464850\nEu W O\n6 1 12\ndirect\n0.139281 0.303229 0.605581 Eu\n0.394419 0.860719 0.696771 Eu\n0.696771 0.394419 0.860719 Eu\n0.303229 0.605581 0.139281 Eu\n0.605581 0.139281 0.303229 Eu\n0.860719 0.696771 0.394419 Eu\n0.000000 0.000000 0.000000 W\n0.073131 0.290105 0.966995 O\n0.033005 0.926869 0.709895 O\n0.406443 0.566331 0.823639 O\n0.176361 0.593557 0.433669 O\n0.709895 0.033005 0.926869 O\n0.433669 0.176361 0.593557 O\n0.566331 0.823639 0.406443 O\n0.290105 0.966995 0.073131 O\n0.823639 0.406443 0.566331 O\n0.593557 0.433669 0.176361 O\n0.966995 0.073131 0.290105 O\n0.926869 0.709895 0.033005 O\n",
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"volume": 281.1364505021733,
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"formula_full": "Eu6 W1 O12",
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{
"id": "mp-1227783",
"created_at": "2022-09-04T14:45:02.968497Z",
"structure_string": "Ba2 Sr6 Mn6 O20\n1.0\n5.612246 0.000000 0.000000\n2.806123 6.382941 -0.017539\n0.000000 -0.034843 12.931301\nBa Sr Mn O\n2 6 6 20\ndirect\n0.966039 0.067922 0.644778 Ba\n0.033961 0.932078 0.355222 Ba\n0.530422 0.939156 0.142301 Sr\n0.469578 0.060844 0.857699 Sr\n0.759216 0.481568 0.890598 Sr\n0.240784 0.518432 0.109402 Sr\n0.740414 0.519171 0.390495 Sr\n0.259586 0.480829 0.609505 Sr\n0.630241 0.739518 0.652495 Mn\n0.369759 0.260482 0.347505 Mn\n0.867224 0.265551 0.151489 Mn\n0.132776 0.734449 0.848511 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.537019 0.925963 0.354649 O\n0.462981 0.074037 0.645351 O\n0.962431 0.075137 0.856748 O\n0.037569 0.924863 0.143252 O\n0.386050 0.781638 0.537046 O\n0.167688 0.218362 0.462954 O\n0.665464 0.214669 0.037974 O\n0.880133 0.785331 0.962026 O\n0.613950 0.218362 0.462954 O\n0.832312 0.781638 0.537046 O\n0.334536 0.785331 0.962026 O\n0.119867 0.214669 0.037974 O\n0.373456 0.759018 0.752361 O\n0.132474 0.240982 0.247639 O\n0.626544 0.240982 0.247639 O\n0.867526 0.759018 0.752361 O\n0.770429 0.459141 0.646574 O\n0.229571 0.540859 0.353426 O\n0.724388 0.551224 0.146984 O\n0.275612 0.448776 0.853016 O\n",
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"volume": 463.229847325512,
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"formula_full": "Ba2 Sr6 Mn6 O20",
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}