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{
"id": "mp-27823",
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{
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{
"id": "mp-1210945",
"created_at": "2022-09-04T14:41:52.538677Z",
"structure_string": "Mg2 U2 Mo8 O32\n1.0\n6.627419 0.000000 0.000000\n0.000000 7.980773 0.000000\n0.000000 7.911092 11.607090\nMg U Mo O\n2 2 8 32\ndirect\n0.702304 0.500000 0.250000 Mg\n0.297696 0.500000 0.750000 Mg\n0.295287 0.000000 0.750000 U\n0.704713 0.000000 0.250000 U\n0.828643 0.803047 0.910887 Mo\n0.171357 0.196953 0.089113 Mo\n0.828643 0.196953 0.589113 Mo\n0.171357 0.803047 0.410887 Mo\n0.821974 0.312537 0.901450 Mo\n0.178026 0.687463 0.098550 Mo\n0.821974 0.687463 0.598550 Mo\n0.178026 0.312537 0.401450 Mo\n0.846727 0.813212 0.434066 O\n0.153273 0.186788 0.565934 O\n0.847979 0.913037 0.595894 O\n0.152021 0.086963 0.404106 O\n0.843248 0.589543 0.903616 O\n0.156752 0.410457 0.096384 O\n0.942682 0.500000 0.750000 O\n0.057318 0.500000 0.250000 O\n0.297681 0.769125 0.748382 O\n0.702319 0.230875 0.251618 O\n0.433306 0.369190 0.367946 O\n0.566694 0.630810 0.632054 O\n0.153273 0.813212 0.934066 O\n0.846727 0.186788 0.065934 O\n0.297681 0.230875 0.751618 O\n0.702319 0.769125 0.248382 O\n0.842394 0.682899 0.067600 O\n0.157606 0.317101 0.932400 O\n0.569982 0.875438 0.872328 O\n0.430018 0.124562 0.127672 O\n0.566694 0.369190 0.867946 O\n0.433306 0.630810 0.132054 O\n0.156752 0.589543 0.403616 O\n0.843248 0.410457 0.596384 O\n0.941516 0.000000 0.750000 O\n0.058484 0.000000 0.250000 O\n0.569982 0.124562 0.627672 O\n0.430018 0.875438 0.372328 O\n0.847979 0.086963 0.904106 O\n0.152021 0.913037 0.095894 O\n0.842394 0.317101 0.432400 O\n0.157606 0.682899 0.567600 O\n",
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{
"id": "mp-643105",
"created_at": "2022-09-04T14:41:57.386374Z",
"structure_string": "Ba6 Na2 Bi2 O12\n1.0\n8.847066 4.914312 0.000000\n-8.847066 4.914312 0.000000\n0.000000 1.086259 6.581512\nBa Na Bi O\n6 2 2 12\ndirect\n0.561717 0.829799 0.251576 Ba\n0.288969 0.711031 0.750000 Ba\n0.170201 0.438283 0.248424 Ba\n0.438283 0.170201 0.748424 Ba\n0.711031 0.288969 0.250000 Ba\n0.829799 0.561717 0.751576 Ba\n0.524454 0.475546 0.250000 Na\n0.475546 0.524454 0.750000 Na\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.629499 0.406676 0.508910 O\n0.826551 0.851461 0.289414 O\n0.011526 0.560227 0.069258 O\n0.370501 0.593324 0.491090 O\n0.173449 0.148539 0.710586 O\n0.988474 0.439773 0.930742 O\n0.851461 0.826551 0.789414 O\n0.560227 0.011526 0.569258 O\n0.406676 0.629499 0.008910 O\n0.148539 0.173449 0.210586 O\n0.439773 0.988474 0.430742 O\n0.593324 0.370501 0.991090 O\n",
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{
"id": "mp-17808",
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"structure_string": "Nb4 Zn8 O18\n1.0\n2.630193 -4.555628 0.000000\n2.630193 4.555628 0.000000\n0.000000 0.000000 14.382393\nNb Zn O\n4 8 18\ndirect\n0.000000 0.000000 0.360929 Nb\n0.000000 0.000000 0.139071 Nb\n0.000000 0.000000 0.639071 Nb\n0.000000 0.000000 0.860929 Nb\n0.333333 0.666667 0.014235 Zn\n0.666667 0.333333 0.485765 Zn\n0.666667 0.333333 0.985765 Zn\n0.333333 0.666667 0.514235 Zn\n0.333333 0.666667 0.794595 Zn\n0.666667 0.333333 0.705405 Zn\n0.666667 0.333333 0.205405 Zn\n0.333333 0.666667 0.294595 Zn\n0.285882 0.285882 0.750000 O\n0.000000 0.714118 0.750000 O\n0.714118 0.000000 0.750000 O\n0.714118 0.714118 0.250000 O\n0.000000 0.285882 0.250000 O\n0.285882 0.000000 0.250000 O\n0.680086 0.660399 0.583517 O\n0.339601 0.019687 0.583517 O\n0.980313 0.319914 0.583517 O\n0.019687 0.339601 0.916483 O\n0.319914 0.980313 0.916483 O\n0.660399 0.680086 0.916483 O\n0.339601 0.319914 0.083517 O\n0.680086 0.019687 0.083517 O\n0.980313 0.660399 0.083517 O\n0.019687 0.680086 0.416483 O\n0.660399 0.980313 0.416483 O\n0.319914 0.339601 0.416483 O\n",
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{
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{
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{
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"structure_string": "Li2 Zr4 P6 O24\n1.0\n7.878699 -4.469383 0.000000\n7.878699 4.469383 0.000000\n5.343333 0.000000 7.314237\nLi Zr P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.143318 0.143318 0.143318 Zr\n0.356682 0.356682 0.356682 Zr\n0.856682 0.856682 0.856682 Zr\n0.643318 0.643318 0.643318 Zr\n0.956409 0.543591 0.250000 P\n0.543591 0.250000 0.956409 P\n0.250000 0.956409 0.543591 P\n0.043591 0.456409 0.750000 P\n0.456409 0.750000 0.043591 P\n0.750000 0.043591 0.456409 P\n0.998315 0.386358 0.196082 O\n0.386358 0.196082 0.998315 O\n0.196082 0.998315 0.386358 O\n0.113642 0.501685 0.303918 O\n0.501685 0.303918 0.113642 O\n0.303918 0.113642 0.501685 O\n0.001685 0.613642 0.803918 O\n0.613642 0.803918 0.001685 O\n0.803918 0.001685 0.613642 O\n0.886358 0.498315 0.696082 O\n0.498315 0.696082 0.886358 O\n0.696082 0.886358 0.498315 O\n0.060404 0.272728 0.911269 O\n0.272728 0.911269 0.060404 O\n0.911269 0.060404 0.272728 O\n0.227272 0.439596 0.588731 O\n0.439596 0.588731 0.227272 O\n0.588731 0.227272 0.439596 O\n0.939596 0.727272 0.088731 O\n0.727272 0.088731 0.939596 O\n0.088731 0.939596 0.727272 O\n0.772728 0.560404 0.411269 O\n0.560404 0.411269 0.772728 O\n0.411269 0.772728 0.560404 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Li-O-P-Zr",
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"formula_full": "Li2 Zr4 P6 O24",
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"updated_at": "2021-11-28T01:35:26.411000Z",
"spacegroup": 167
},
{
"id": "mp-1099865",
"created_at": "2022-09-04T14:41:50.178615Z",
"structure_string": "La28 Sm4 Mn32 O80\n1.0\n0.000546 -0.007370 11.518861\n11.868387 0.004012 0.000512\n-5.928676 15.703989 -5.769860\nLa Sm Mn O\n28 4 32 80\ndirect\n0.295635 0.064366 0.112673 La\n0.297517 0.063995 0.610912 La\n0.297473 0.564709 0.611457 La\n0.797271 0.064817 0.611477 La\n0.797962 0.564777 0.111117 La\n0.797513 0.564484 0.611764 La\n0.185632 0.433976 0.387824 La\n0.185801 0.435928 0.889573 La\n0.184348 0.934947 0.386642 La\n0.186498 0.936663 0.888681 La\n0.685547 0.435520 0.388104 La\n0.685318 0.935013 0.388055 La\n0.685036 0.936191 0.888653 La\n0.046076 0.296992 0.111638 La\n0.047174 0.297523 0.611609 La\n0.047070 0.796640 0.611195 La\n0.547194 0.295918 0.111281 La\n0.547776 0.298395 0.613400 La\n0.545337 0.797610 0.112400 La\n0.547522 0.796044 0.611069 La\n0.435808 0.203130 0.388352 La\n0.438437 0.204213 0.888646 La\n0.434046 0.702177 0.386438 La\n0.435502 0.702066 0.888841 La\n0.933946 0.201605 0.386460 La\n0.933741 0.203535 0.888748 La\n0.935068 0.702983 0.387464 La\n0.935673 0.701971 0.889185 La\n0.292720 0.566114 0.110694 Sm\n0.795196 0.065106 0.110394 Sm\n0.684303 0.434793 0.890284 Sm\n0.046728 0.796249 0.111738 Sm\n0.000934 0.999048 0.001508 Mn\n0.001017 0.000140 0.499543 Mn\n0.000583 0.500868 0.000676 Mn\n0.000979 0.499621 0.499508 Mn\n0.501601 0.000079 0.000872 Mn\n0.500630 0.999797 0.499487 Mn\n0.501252 0.501447 0.001411 Mn\n0.500960 0.499795 0.499740 Mn\n0.251811 0.251774 0.001412 Mn\n0.250472 0.249355 0.499300 Mn\n0.250166 0.750691 0.001037 Mn\n0.250925 0.749748 0.499473 Mn\n0.750948 0.249725 0.000655 Mn\n0.750878 0.250040 0.500079 Mn\n0.752427 0.750894 0.001196 Mn\n0.750605 0.749773 0.499428 Mn\n0.102568 0.097238 0.247078 Mn\n0.108045 0.100918 0.750842 Mn\n0.107929 0.600151 0.248456 Mn\n0.107389 0.599389 0.750553 Mn\n0.608205 0.098883 0.249006 Mn\n0.607785 0.101033 0.750456 Mn\n0.603637 0.599009 0.247515 Mn\n0.608497 0.599468 0.752475 Mn\n0.356079 0.401066 0.247943 Mn\n0.359084 0.400554 0.750748 Mn\n0.353939 0.897775 0.248057 Mn\n0.357622 0.900766 0.750442 Mn\n0.856483 0.399072 0.248953 Mn\n0.855848 0.400343 0.751968 Mn\n0.857004 0.899572 0.246739 Mn\n0.857908 0.900676 0.750915 Mn\n0.108771 0.116088 0.472174 O\n0.108578 0.117504 0.973526 O\n0.108842 0.616783 0.472808 O\n0.109622 0.617865 0.975709 O\n0.609008 0.116051 0.472317 O\n0.609226 0.116329 0.973436 O\n0.609184 0.617158 0.473798 O\n0.610239 0.614915 0.971776 O\n0.138299 0.386773 0.029786 O\n0.136522 0.383545 0.526844 O\n0.133932 0.881292 0.031684 O\n0.135771 0.883157 0.525351 O\n0.633542 0.381541 0.024552 O\n0.635753 0.383124 0.526510 O\n0.639076 0.886024 0.029305 O\n0.636522 0.883944 0.526438 O\n0.358698 0.105952 0.472723 O\n0.360600 0.108400 0.974074 O\n0.359381 0.606604 0.473335 O\n0.359233 0.607414 0.973794 O\n0.859636 0.107259 0.473765 O\n0.858423 0.105040 0.975034 O\n0.859389 0.606778 0.473136 O\n0.854805 0.602078 0.969794 O\n0.384716 0.400325 0.031127 O\n0.385487 0.391641 0.524845 O\n0.384371 0.894303 0.026702 O\n0.386823 0.892858 0.526961 O\n0.884271 0.392932 0.025152 O\n0.886074 0.393204 0.526541 O\n0.888552 0.897231 0.033878 O\n0.885571 0.892190 0.524912 O\n0.110428 0.125532 0.142216 O\n0.105941 0.122608 0.641335 O\n0.112486 0.625813 0.141598 O\n0.105889 0.622588 0.641650 O\n0.614852 0.122889 0.142280 O\n0.605816 0.123218 0.641179 O\n0.613256 0.624462 0.141781 O\n0.606521 0.621114 0.642703 O\n0.463783 0.378060 0.357343 O\n0.472331 0.377967 0.858105 O\n0.461687 0.877219 0.357993 O\n0.464508 0.877234 0.859356 O\n0.964132 0.376835 0.358308 O\n0.969115 0.376704 0.859063 O\n0.964045 0.877645 0.356719 O\n0.965904 0.877746 0.860089 O\n0.359920 0.266766 0.142121 O\n0.357084 0.268947 0.641438 O\n0.360087 0.765446 0.141772 O\n0.356020 0.769149 0.641577 O\n0.855701 0.266409 0.140638 O\n0.854135 0.269932 0.642176 O\n0.867536 0.766254 0.142338 O\n0.856398 0.769213 0.641773 O\n0.211785 0.228009 0.356697 O\n0.218733 0.232248 0.859155 O\n0.214995 0.731481 0.358143 O\n0.213973 0.731743 0.859388 O\n0.714467 0.231170 0.358162 O\n0.715324 0.233425 0.859281 O\n0.711608 0.729865 0.357279 O\n0.716619 0.733702 0.859809 O\n0.425464 0.065181 0.250091 O\n0.424806 0.067826 0.750186 O\n0.417510 0.568253 0.244273 O\n0.424037 0.568057 0.750005 O\n0.917307 0.068144 0.244570 O\n0.924670 0.068061 0.750553 O\n0.925844 0.566205 0.249634 O\n0.923939 0.566500 0.750574 O\n0.174056 0.432774 0.249923 O\n0.175878 0.432677 0.750415 O\n0.167892 0.927809 0.244568 O\n0.174388 0.932938 0.750238 O\n0.673450 0.433197 0.249542 O\n0.673753 0.432215 0.756140 O\n0.675449 0.931986 0.250044 O\n0.674484 0.933326 0.749754 O\n",
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"Mn",
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],
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"density_atomic": 0.06708075519974703,
"volume": 2146.6663511943148,
"volume_molar": 8.97744925808872,
"formula_full": "La28 Sm4 Mn32 O80",
"formula_reduced": "La7SmMn8O20",
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},
{
"id": "mp-1216619",
"created_at": "2022-09-04T14:41:55.740191Z",
"structure_string": "Tl1 In2 Ga1 Se4\n1.0\n-3.352348 4.105558 4.117562\n3.352348 -4.105558 4.117562\n3.352348 4.105558 -4.117562\nTl In Ga Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ga\n0.500957 0.103583 0.936013 Se\n0.499043 0.435056 0.602626 Se\n0.167570 0.564944 0.063987 Se\n0.832430 0.896417 0.397374 Se\n",
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],
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"formula_full": "Tl1 In2 Ga1 Se4",
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"updated_at": "2021-11-28T01:35:41.801000Z",
"spacegroup": 23
}
]
}