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{
"id": "jvasp-56360",
"created_at": "2022-09-04T14:38:36.378312Z",
"updated_at": "2022-09-04T14:38:36.378327Z",
"structure_string": "Er10 Rh6\n1.0\n4.068629 -7.047072 0.000000\n4.068629 7.047072 -0.000000\n-0.000000 -0.000000 6.199786\nEr Rh\n10 6\ndirect\n0.248877 0.248877 0.750001 Er\n0.000000 0.248877 0.250000 Er\n0.751123 0.751123 0.250000 Er\n0.000000 0.751123 0.750001 Er\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.751123 0.000000 0.750001 Er\n0.333333 0.666667 0.500000 Er\n0.248877 0.000000 0.250000 Er\n0.396889 0.000000 0.750001 Rh\n0.603111 0.603111 0.750001 Rh\n0.000000 0.603111 0.250000 Rh\n0.603111 0.000000 0.250000 Rh\n0.396889 0.396889 0.250000 Rh\n0.000000 0.396889 0.750001 Rh\n",
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{
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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.311079 0.000000 0.000000\n-1.655539 2.867502 -0.000003\n0.000000 -0.000035 37.445460\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333357 0.666715 0.708535 Te\n0.333361 0.666722 0.606412 Te\n0.333311 0.666623 0.093936 Mo\n0.666690 0.333378 0.281803 Mo\n0.666691 0.333380 0.657574 Mo\n0.333311 0.666622 0.469633 W\n0.666641 0.333279 0.049236 Se\n0.666646 0.333290 0.138771 Se\n0.333356 0.666713 0.322645 S\n0.666643 0.333285 0.428617 S\n0.666645 0.333288 0.510637 S\n0.333354 0.666709 0.240949 S\n",
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{
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"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110198 0.000000 -1.443859\n-0.554901 7.181727 -1.963942\n-0.025288 0.065302 9.675594\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401298 0.039033 0.802597 Sr\n0.334007 0.528694 0.668015 Sr\n0.973338 0.736366 0.946675 Sr\n0.200429 0.803589 0.400858 Sr\n0.799571 0.196411 0.599142 Sr\n0.026662 0.263635 0.053325 Sr\n0.665993 0.471306 0.331985 Sr\n0.598702 0.960967 0.197402 Sr\n0.186447 0.204810 0.372894 Mn\n0.813553 0.795191 0.627106 Mn\n0.500000 0.500000 0.000000 Fe\n0.724214 0.831356 0.448428 N\n0.275786 0.168644 0.551571 N\n0.822988 0.571204 0.645974 N\n0.105886 0.012929 0.211772 N\n0.894114 0.987072 0.788228 N\n0.177013 0.428797 0.354025 N\n0.476255 0.711345 0.952510 N\n0.523745 0.288655 0.047490 N\n",
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{
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"created_at": "2022-09-04T14:36:01.814778Z",
"updated_at": "2022-09-04T14:36:01.814813Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110135 0.000000 -1.443841\n-0.554881 7.181799 -1.963869\n-0.025217 0.065442 9.675724\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401297 0.039032 0.802596 Sr\n0.334008 0.528691 0.668018 Sr\n0.973339 0.736368 0.946679 Sr\n0.200431 0.803593 0.400863 Sr\n0.799568 0.196407 0.599137 Sr\n0.026660 0.263632 0.053320 Sr\n0.665990 0.471309 0.331981 Sr\n0.598702 0.960968 0.197403 Sr\n0.186444 0.204813 0.372888 Mn\n0.813555 0.795187 0.627111 Mn\n0.500000 0.500000 -0.000000 Fe\n0.724215 0.831354 0.448432 N\n0.275783 0.168646 0.551567 N\n0.822989 0.571202 0.645980 N\n0.105887 0.012931 0.211775 N\n0.894111 0.987069 0.788224 N\n0.177010 0.428798 0.354020 N\n0.476255 0.711348 0.952511 N\n0.523744 0.288651 0.047488 N\n",
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{
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"structure_string": "Si8 O16\n1.0\n6.606101 0.000000 0.000000\n0.000000 6.606101 0.000000\n0.000000 -0.000000 8.147309\nSi O\n8 16\ndirect\n0.239825 0.463282 0.402674 Si\n0.239825 0.536718 0.902674 Si\n0.463282 0.760175 0.597327 Si\n0.536718 0.239825 0.597327 Si\n0.536718 0.760175 0.097327 Si\n0.760175 0.463282 0.902674 Si\n0.463282 0.239825 0.097327 Si\n0.760175 0.536718 0.402674 Si\n0.333695 0.692749 0.432195 O\n0.000000 0.500000 0.381908 O\n0.500000 0.000000 0.118092 O\n0.670054 0.329946 0.750000 O\n0.329946 0.329946 0.250000 O\n0.333695 0.307250 0.932195 O\n0.307250 0.333695 0.567805 O\n0.000000 0.500000 0.881908 O\n0.670054 0.670054 0.250000 O\n0.666305 0.692749 0.932195 O\n0.692749 0.333695 0.067805 O\n0.307250 0.666305 0.067805 O\n0.692749 0.666305 0.567805 O\n0.329946 0.670054 0.750000 O\n0.666305 0.307250 0.432195 O\n0.500000 0.000000 0.618092 O\n",
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{
"id": "jvasp-97689",
"created_at": "2022-09-04T14:36:11.974691Z",
"updated_at": "2022-09-04T14:36:11.974718Z",
"structure_string": "Ca8 Ru4 O16\n1.0\n5.368336 -0.000000 0.000000\n0.000000 5.471050 0.000000\n0.000000 0.000000 12.108209\nCa Ru O\n8 4 16\ndirect\n0.989916 0.950774 0.651349 Ca\n0.489915 0.549226 0.348651 Ca\n0.010085 0.450774 0.848651 Ca\n0.510085 0.049226 0.151349 Ca\n0.489915 0.950774 0.848651 Ca\n0.989916 0.549226 0.151349 Ca\n0.510085 0.450774 0.651349 Ca\n0.010085 0.049226 0.348651 Ca\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.305131 0.697765 0.524040 O\n0.805132 0.802235 0.475960 O\n0.438754 0.980628 0.333180 O\n0.805132 0.697765 0.975960 O\n0.305131 0.802235 0.024040 O\n0.194869 0.197765 0.524040 O\n0.694869 0.302235 0.475960 O\n0.938754 0.980628 0.166821 O\n0.438754 0.519372 0.833180 O\n0.061247 0.480628 0.333180 O\n0.561247 0.019372 0.666821 O\n0.061247 0.019372 0.833180 O\n0.561247 0.480628 0.166821 O\n0.938754 0.519372 0.666821 O\n0.194869 0.302235 0.024040 O\n0.694869 0.197765 0.975960 O\n",
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{
"id": "jvasp-28999",
"created_at": "2022-09-04T14:37:43.067423Z",
"updated_at": "2022-09-04T14:37:43.067449Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.320621 0.000000 0.000000\n-1.660311 2.875756 -0.000007\n0.000000 -0.000098 37.242677\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666642 0.333285 0.042817 Te\n0.666642 0.333284 0.145164 Te\n0.333311 0.666622 0.093787 Mo\n0.666683 0.333366 0.281958 Mo\n0.333324 0.666648 0.469680 W\n0.666683 0.333366 0.657414 W\n0.333356 0.666714 0.326987 Se\n0.333355 0.666712 0.237041 Se\n0.333361 0.666725 0.698368 S\n0.666646 0.333291 0.428379 S\n0.666636 0.333270 0.510908 S\n0.333361 0.666723 0.616249 S\n",
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{
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"created_at": "2022-09-04T14:35:44.995272Z",
"updated_at": "2022-09-04T14:35:44.995293Z",
"structure_string": "Ba2 Ti8 O18\n1.0\n3.816067 -0.000000 0.000000\n-0.000000 6.356528 0.000000\n0.000000 0.000000 14.661951\nBa Ti O\n2 8 18\ndirect\n0.750000 0.711288 0.250000 Ba\n0.250000 0.288713 0.750000 Ba\n0.250000 0.805589 0.037579 Ti\n0.750000 0.194411 0.962421 Ti\n0.250000 0.805589 0.462421 Ti\n0.750000 0.194411 0.537579 Ti\n0.250000 0.251749 0.128453 Ti\n0.750000 0.748251 0.871547 Ti\n0.250000 0.251749 0.371547 Ti\n0.750000 0.748251 0.628453 Ti\n0.750000 0.257844 0.100216 O\n0.250000 0.742157 0.899784 O\n0.750000 0.257844 0.399784 O\n0.250000 0.742157 0.600216 O\n0.750000 0.657893 0.750000 O\n0.750000 0.849220 0.489694 O\n0.250000 0.150781 0.510306 O\n0.250000 0.955229 0.151613 O\n0.750000 0.044771 0.848387 O\n0.250000 0.955229 0.348387 O\n0.750000 0.044771 0.651613 O\n0.250000 0.560042 0.094272 O\n0.750000 0.439958 0.905727 O\n0.250000 0.560042 0.405727 O\n0.750000 0.439958 0.594272 O\n0.250000 0.342108 0.250000 O\n0.250000 0.150781 0.989694 O\n0.750000 0.849220 0.010306 O\n",
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{
"id": "jvasp-85285",
"created_at": "2022-09-04T14:36:06.567085Z",
"updated_at": "2022-09-04T14:36:06.567115Z",
"structure_string": "Sr8 Fe3 N8\n1.0\n5.129834 0.000005 -1.450277\n-0.554650 7.146485 -1.961947\n-0.029454 0.055600 9.693646\nSr Fe N\n8 3 8\ndirect\n0.028762 0.264123 0.057526 Sr\n0.800097 0.194757 0.600195 Sr\n0.404763 0.032676 0.809520 Sr\n0.666638 0.469333 0.333279 Sr\n0.333362 0.530666 0.666721 Sr\n0.595237 0.967322 0.190479 Sr\n0.971238 0.735876 0.942473 Sr\n0.199903 0.805242 0.399804 Sr\n0.187625 0.205713 0.375269 Fe\n0.500000 0.499999 -0.000001 Fe\n0.812375 0.794286 0.624730 Fe\n0.276104 0.167761 0.552214 N\n0.473326 0.720937 0.946646 N\n0.526674 0.279062 0.053354 N\n0.107585 0.015063 0.215180 N\n0.892415 0.984936 0.784819 N\n0.723896 0.832237 0.447786 N\n0.821337 0.568511 0.642672 N\n0.178663 0.431488 0.357328 N\n",
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{
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"created_at": "2022-09-04T14:37:58.066412Z",
"updated_at": "2022-09-04T14:37:58.066425Z",
"structure_string": "Rb2 In2 Br6\n1.0\n6.867823 -0.062426 3.847903\n2.225928 6.497394 3.847903\n-0.088220 -0.062426 7.871821\nRb In Br\n2 2 6\ndirect\n0.256031 0.256030 0.256031 Rb\n0.756031 0.756029 0.756030 Rb\n0.005688 0.005688 0.005688 In\n0.505688 0.505687 0.505687 In\n0.255469 0.819989 0.691323 Br\n0.819990 0.691322 0.255468 Br\n0.691323 0.255468 0.819990 Br\n0.191323 0.319989 0.755469 Br\n0.755469 0.191322 0.319990 Br\n0.319991 0.755468 0.191323 Br\n",
"nsites": 10,
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"elements": [
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],
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"spacegroup": 167
},
{
"id": "jvasp-109256",
"created_at": "2022-09-04T14:38:15.628471Z",
"updated_at": "2022-09-04T14:38:15.628500Z",
"structure_string": "Rb2 Na1 Sb1 Br6\n1.0\n6.887678 -0.000000 3.976603\n2.295893 6.493765 3.976603\n-0.000000 -0.000000 7.953205\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751327 0.248673 0.248673 Br\n0.248674 0.248673 0.751327 Br\n0.248673 0.751326 0.751327 Br\n0.248673 0.751326 0.248674 Br\n0.751327 0.248673 0.751327 Br\n0.751327 0.751326 0.248673 Br\n",
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"formula_full": "Rb2 Na1 Sb1 Br6",
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},
{
"id": "jvasp-11972",
"created_at": "2022-09-04T14:36:08.286102Z",
"updated_at": "2022-09-04T14:36:08.286123Z",
"structure_string": "Mg12 Co12\n1.0\n6.887809 0.000000 3.976678\n2.295936 6.493889 3.976678\n0.000000 0.000000 7.953358\nMg Co\n12 12\ndirect\n0.078819 0.671181 0.671181 Mg\n0.671181 0.078819 0.671181 Mg\n0.671181 0.671181 0.078819 Mg\n0.078819 0.078819 0.671181 Mg\n0.078819 0.671181 0.078819 Mg\n0.328820 0.921181 0.328819 Mg\n0.921181 0.328819 0.921181 Mg\n0.921181 0.328819 0.328819 Mg\n0.328819 0.328819 0.921181 Mg\n0.921181 0.921181 0.328819 Mg\n0.671181 0.078819 0.078819 Mg\n0.328820 0.921181 0.921181 Mg\n0.500000 0.500000 0.500000 Co\n0.299392 0.601827 0.299392 Co\n0.601827 0.299392 0.299392 Co\n0.700609 0.398174 0.700609 Co\n0.398174 0.700609 0.700609 Co\n0.700609 0.700609 0.398174 Co\n0.299392 0.299392 0.299392 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.299392 0.299392 0.601827 Co\n0.700609 0.700609 0.700609 Co\n",
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"spacegroup": 227
}
]
}