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{
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"structure_string": "Bi8 Se4 O20\n1.0\n5.544918 -0.000000 -0.000000\n-2.772458 8.220124 0.000000\n0.000000 -0.000000 11.370567\nBi Se O\n8 4 20\ndirect\n0.403253 0.829984 0.612970 Bi\n0.903253 0.829984 0.387030 Bi\n0.073269 0.170016 0.612970 Bi\n0.247103 0.500000 0.876580 Bi\n0.747104 0.500000 0.123420 Bi\n0.763126 0.500000 0.615685 Bi\n0.263126 0.500000 0.384315 Bi\n0.573270 0.170016 0.387030 Bi\n0.894058 0.827915 0.863532 Se\n0.066143 0.172085 0.136468 Se\n0.394058 0.827915 0.136468 Se\n0.566143 0.172085 0.863532 Se\n0.344671 0.297186 0.073106 O\n0.047484 0.702813 0.926895 O\n0.764081 0.000000 0.500000 O\n0.264081 0.000000 0.500000 O\n0.440725 0.311438 0.795341 O\n0.169747 0.099454 0.260525 O\n0.070293 0.900546 0.739475 O\n0.547485 0.702813 0.073106 O\n0.844671 0.297186 0.926895 O\n0.138809 0.500000 0.700555 O\n0.638810 0.500000 0.299445 O\n0.062010 0.673555 0.506335 O\n0.388457 0.326445 0.493666 O\n0.562011 0.673555 0.493666 O\n0.888457 0.326445 0.506335 O\n0.629287 0.688562 0.795341 O\n0.940726 0.311438 0.204660 O\n0.129287 0.688562 0.204660 O\n0.570293 0.900546 0.260525 O\n0.669747 0.099454 0.739475 O\n",
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{
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"structure_string": "Ca4 Sn4 S12\n1.0\n0.000000 7.288451 0.110962\n9.942473 0.000000 0.000000\n0.000000 -1.334902 -7.171942\nCa Sn S\n4 4 12\ndirect\n0.763990 0.391626 0.103984 Ca\n0.736010 0.891626 0.896017 Ca\n0.236010 0.608374 0.896017 Ca\n0.263990 0.108374 0.103983 Ca\n0.011102 0.807795 0.359955 Sn\n0.488898 0.307795 0.640045 Sn\n0.988898 0.192204 0.640045 Sn\n0.511102 0.692204 0.359955 Sn\n0.564749 0.158832 0.908413 S\n0.935251 0.658832 0.091588 S\n0.434586 0.479537 0.221298 S\n0.065414 0.979537 0.778702 S\n0.565414 0.520463 0.778702 S\n0.318698 0.786440 0.571647 S\n0.681302 0.213559 0.428353 S\n0.818698 0.713559 0.571647 S\n0.064749 0.341168 0.908413 S\n0.181302 0.286441 0.428353 S\n0.934586 0.020463 0.221298 S\n0.435251 0.841168 0.091587 S\n",
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{
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"structure_string": "Mo3 Cl18\n1.0\n10.401797 0.000000 0.000000\n-5.200899 9.008220 0.000000\n-0.000000 -0.000000 5.530763\nMo Cl\n3 18\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.503682 Mo\n0.666667 0.333333 0.496318 Mo\n0.562049 0.437952 0.254692 Cl\n0.437952 0.875903 0.745308 Cl\n0.124097 0.562048 0.745308 Cl\n0.437952 0.562048 0.745308 Cl\n0.771247 0.542495 0.737731 Cl\n0.457505 0.228753 0.737731 Cl\n0.771247 0.228753 0.737731 Cl\n0.228753 0.457505 0.262268 Cl\n0.542495 0.771247 0.262268 Cl\n0.228753 0.771247 0.262268 Cl\n0.895399 0.790796 0.241458 Cl\n0.209204 0.104602 0.241458 Cl\n0.895399 0.104602 0.241458 Cl\n0.104602 0.209204 0.758542 Cl\n0.790796 0.895398 0.758542 Cl\n0.104601 0.895398 0.758542 Cl\n0.875903 0.437952 0.254692 Cl\n0.562049 0.124097 0.254692 Cl\n",
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{
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"structure_string": "Nd8 Si4 Te4 O16\n1.0\n6.356893 -0.000000 0.000000\n0.000000 7.233075 0.000000\n0.000000 0.000000 11.270589\nNd Si Te O\n8 4 4 16\ndirect\n0.388895 0.750000 0.500000 Nd\n0.388895 0.750000 0.000000 Nd\n0.611105 0.250000 0.500000 Nd\n0.611105 0.250000 0.000000 Nd\n0.886525 0.962402 0.750000 Nd\n0.886525 0.537597 0.250000 Nd\n0.113475 0.462402 0.750000 Nd\n0.113475 0.037598 0.250000 Nd\n0.112680 0.250000 0.000000 Si\n0.887319 0.750000 0.000000 Si\n0.887319 0.750000 0.500000 Si\n0.112680 0.250000 0.500000 Si\n0.401486 0.076085 0.750000 Te\n0.401486 0.423915 0.250000 Te\n0.598514 0.576084 0.750000 Te\n0.598514 0.923915 0.250000 Te\n0.950716 0.268638 0.384536 O\n0.950716 0.231362 0.615465 O\n0.950716 0.231362 0.884536 O\n0.950716 0.268638 0.115465 O\n0.049284 0.768637 0.115465 O\n0.049284 0.768637 0.384536 O\n0.268428 0.076538 0.035802 O\n0.268428 0.423462 0.964199 O\n0.731572 0.923462 0.535802 O\n0.731572 0.923462 0.964199 O\n0.731572 0.576537 0.035802 O\n0.268428 0.423462 0.535802 O\n0.268428 0.076538 0.464198 O\n0.049284 0.731362 0.884536 O\n0.731572 0.576537 0.464198 O\n0.049284 0.731362 0.615465 O\n",
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"structure_string": "Sm6 Co16 Sn8\n1.0\n7.507943 0.000000 0.000000\n0.000000 7.728889 -4.462276\n-0.000000 0.000000 8.924552\nSm Co Sn\n6 16 8\ndirect\n0.784348 0.471006 0.942011 Sm\n0.784348 0.471006 0.528994 Sm\n0.284349 0.528994 0.057988 Sm\n0.784348 0.057989 0.528994 Sm\n0.284349 0.528994 0.471006 Sm\n0.284349 0.942012 0.471006 Sm\n0.506661 0.000000 -0.000000 Co\n0.006662 0.000000 -0.000000 Co\n0.451375 0.684864 0.842432 Co\n0.451375 0.157568 0.842432 Co\n0.951375 0.315136 0.157567 Co\n0.451375 0.157568 0.315136 Co\n0.951375 0.842433 0.157567 Co\n0.951375 0.842433 0.684863 Co\n0.261318 0.903839 0.096161 Co\n0.761317 0.807677 0.903838 Co\n0.261318 0.903839 0.807677 Co\n0.761317 0.096161 0.903838 Co\n0.761317 0.096161 0.192323 Co\n0.074508 0.333333 0.666666 Co\n0.574508 0.666667 0.333333 Co\n0.261318 0.192323 0.096161 Co\n0.080593 0.170230 0.829770 Sn\n0.951022 0.666667 0.333333 Sn\n0.451023 0.333333 0.666666 Sn\n0.580593 0.829770 0.659538 Sn\n0.580593 0.829770 0.170230 Sn\n0.080593 0.170230 0.340461 Sn\n0.580593 0.340461 0.170230 Sn\n0.080593 0.659539 0.829769 Sn\n",
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"formula_full": "Sm6 Co16 Sn8",
"formula_reduced": "Sm3(Co2Sn)4",
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},
{
"id": "jvasp-88416",
"created_at": "2022-09-04T14:36:21.768027Z",
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"formula_reduced": "Nd2MoO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 142
}
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}