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{
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"results": [
{
"id": "jvasp-111830",
"created_at": "2022-09-04T14:38:38.985219Z",
"updated_at": "2022-09-04T14:38:38.985246Z",
"structure_string": "Ba2 Pb2 S4 O16\n1.0\n5.481282 0.000000 0.000000\n0.000000 7.022145 0.000000\n0.000000 0.000000 8.691326\nBa Pb S O\n2 2 4 16\ndirect\n0.500000 0.414745 0.325106 Ba\n0.500000 0.585254 0.825106 Ba\n0.000000 0.094563 0.683075 Pb\n0.000000 0.905436 0.183075 Pb\n0.500000 0.067758 0.932354 S\n0.500000 0.932242 0.432354 S\n0.000000 0.438528 0.067167 S\n0.000000 0.561471 0.567167 S\n0.500000 0.810311 0.568584 O\n0.500000 0.189688 0.068584 O\n0.000000 0.711433 0.687557 O\n0.000000 0.288567 0.187557 O\n0.500000 0.818910 0.287587 O\n0.500000 0.181089 0.787588 O\n0.722295 0.057716 0.430922 O\n0.781927 0.436197 0.588394 O\n0.218072 0.436197 0.588394 O\n0.781927 0.563802 0.088394 O\n0.000000 0.359587 0.909941 O\n0.218072 0.563802 0.088394 O\n0.277705 0.057716 0.430922 O\n0.722295 0.942283 0.930922 O\n0.277705 0.942283 0.930922 O\n0.000000 0.640412 0.409941 O\n",
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{
"id": "jvasp-112370",
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"updated_at": "2022-09-04T14:38:39.444013Z",
"structure_string": "Er2 Lu2 B8 Ru4\n1.0\n5.259727 -0.000000 0.000000\n0.000000 5.845892 0.000000\n-0.000000 0.000000 6.321277\nEr Lu B Ru\n2 2 8 4\ndirect\n0.500000 0.489553 0.586646 Er\n0.500000 0.989553 0.413354 Er\n-0.000000 0.511195 0.914522 Lu\n-0.000000 0.011195 0.085478 Lu\n0.666433 0.131841 0.787185 B\n0.333568 0.631841 0.212816 B\n0.164748 0.867180 0.716110 B\n0.835253 0.367180 0.283891 B\n0.835253 0.867180 0.716110 B\n0.164748 0.367180 0.283891 B\n0.333568 0.131841 0.787185 B\n0.666433 0.631841 0.212816 B\n0.500000 0.316238 0.066610 Ru\n0.500000 0.816238 0.933390 Ru\n-0.000000 0.684969 0.432083 Ru\n-0.000000 0.184970 0.567918 Ru\n",
"nsites": 16,
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{
"id": "jvasp-110565",
"created_at": "2022-09-04T14:38:39.562797Z",
"updated_at": "2022-09-04T14:38:39.562825Z",
"structure_string": "Mn2 Co2 B4\n1.0\n3.006335 0.000000 0.000000\n0.000000 3.994501 0.000000\n0.000000 0.000000 5.399429\nMn Co B\n2 2 4\ndirect\n0.500001 0.374018 0.321223 Mn\n0.500001 0.625981 0.821223 Mn\n0.000000 0.134903 0.678350 Co\n0.000000 0.865097 0.178350 Co\n0.000000 0.641392 0.533049 B\n0.000000 0.358608 0.033048 B\n0.500001 0.874157 0.467379 B\n0.500001 0.125842 0.967379 B\n",
"nsites": 8,
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"density_atomic": 0.12337928383759926,
"volume": 64.84070705524745,
"volume_molar": 4.880998310807815,
"formula_full": "Mn2 Co2 B4",
"formula_reduced": "MnCoB2",
"formula_anonymous": "ABC2",
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"spacegroup": 26
},
{
"id": "jvasp-106380",
"created_at": "2022-09-04T14:38:40.397022Z",
"updated_at": "2022-09-04T14:38:40.397048Z",
"structure_string": "B4 Mo2 Ru2\n1.0\n2.965592 0.000000 0.000000\n0.000000 4.581898 0.000000\n0.000000 0.000000 6.011112\nB Mo Ru\n4 2 2\ndirect\n0.000000 0.634292 0.529447 B\n0.000000 0.365708 0.029447 B\n0.500000 0.830141 0.473294 B\n0.500000 0.169859 0.973294 B\n0.000000 0.119537 0.678854 Mo\n0.000000 0.880463 0.178854 Mo\n0.500000 0.373352 0.318404 Ru\n0.500000 0.626648 0.818404 Ru\n",
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},
{
"id": "jvasp-116648",
"created_at": "2022-09-04T14:38:41.518160Z",
"updated_at": "2022-09-04T14:38:41.518188Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n5.361616 -0.000000 0.000000\n0.000000 5.362650 0.000000\n-0.000000 -0.000000 7.577617\nSr Ca Mn O\n2 2 4 12\ndirect\n0.018965 0.247904 0.500000 Sr\n0.518965 0.752096 0.500000 Sr\n0.965078 0.256025 -0.000000 Ca\n0.465078 0.743975 -0.000000 Ca\n0.492623 0.246548 0.755351 Mn\n-0.007377 0.753452 0.244649 Mn\n0.492623 0.246548 0.244649 Mn\n-0.007377 0.753452 0.755351 Mn\n0.017414 0.817989 -0.000000 O\n0.517414 0.182011 -0.000000 O\n0.722132 0.532028 0.788751 O\n0.222132 0.467972 0.211249 O\n0.283067 0.969508 0.269855 O\n0.722132 0.532028 0.211249 O\n0.283067 0.969508 0.730146 O\n0.783068 0.030492 0.269855 O\n0.502904 0.294044 0.500000 O\n0.222132 0.467972 0.788751 O\n0.783068 0.030492 0.730146 O\n0.002903 0.705956 0.500000 O\n",
"nsites": 20,
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"density": 5.08462473381012,
"density_atomic": 0.09179566774436133,
"volume": 217.87520578528094,
"volume_molar": 6.5603757867646415,
"formula_full": "Sr2 Ca2 Mn4 O12",
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"spacegroup": 26
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{
"id": "jvasp-112696",
"created_at": "2022-09-04T14:38:41.851341Z",
"updated_at": "2022-09-04T14:38:41.851393Z",
"structure_string": "Ce4 Ni2 Sn4 Pt2\n1.0\n4.590813 0.000000 0.000000\n0.000000 7.391491 0.000000\n0.000000 -0.000000 7.907453\nCe Ni Sn Pt\n4 2 4 2\ndirect\n0.500000 0.481703 0.550737 Ce\n0.500000 0.981703 0.449263 Ce\n-0.000000 0.510949 0.950293 Ce\n-0.000000 0.010949 0.049707 Ce\n-0.000000 0.798700 0.663617 Ni\n-0.000000 0.298700 0.336382 Ni\n0.500000 0.311375 0.175952 Sn\n0.500000 0.811375 0.824047 Sn\n-0.000000 0.676841 0.347590 Sn\n-0.000000 0.176841 0.652410 Sn\n0.500000 0.220431 0.838963 Pt\n0.500000 0.720431 0.161037 Pt\n",
"nsites": 12,
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"elements": [
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"Pt"
],
"chemical_system": "Ce-Ni-Pt-Sn",
"density": 9.548101013140148,
"density_atomic": 0.0447221806519425,
"volume": 268.3232307787474,
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"formula_full": "Ce4 Ni2 Sn4 Pt2",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 26
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{
"id": "jvasp-111823",
"created_at": "2022-09-04T14:38:41.979762Z",
"updated_at": "2022-09-04T14:38:41.979795Z",
"structure_string": "Ce4 Al4 Pd2 Pt2\n1.0\n4.413658 0.000000 0.000000\n0.000000 7.139805 0.000000\n0.000000 0.000000 7.903677\nCe Al Pd Pt\n4 4 2 2\ndirect\n0.500000 0.471658 0.563039 Ce\n0.500000 0.971658 0.436961 Ce\n0.000000 0.524978 0.932753 Ce\n0.000000 0.024977 0.067248 Ce\n0.500000 0.349735 0.177292 Al\n0.500000 0.849735 0.822709 Al\n0.000000 0.651418 0.317033 Al\n0.000000 0.151417 0.682968 Al\n0.000000 0.779841 0.644044 Pd\n0.000000 0.279840 0.355956 Pd\n0.500000 0.222375 0.855748 Pt\n0.500000 0.722375 0.144252 Pt\n",
"nsites": 12,
"nelements": 4,
"elements": [
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],
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"density": 8.476497959836593,
"density_atomic": 0.0481800264129401,
"volume": 249.06586594931926,
"volume_molar": 12.499247527150764,
"formula_full": "Ce4 Al4 Pd2 Pt2",
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-104740",
"created_at": "2022-09-04T14:38:42.546178Z",
"updated_at": "2022-09-04T14:38:42.546195Z",
"structure_string": "Ge4 Se2 S2\n1.0\n3.791577 -0.000000 0.000000\n0.000000 4.457095 0.000000\n-0.000000 -0.000000 10.910402\nGe Se S\n4 2 2\ndirect\n-0.000000 0.142544 0.627793 Ge\n-0.000000 0.857455 0.127793 Ge\n0.500000 0.396603 0.378631 Ge\n0.500000 0.603396 0.878630 Ge\n0.500000 0.251223 0.145274 Se\n0.500000 0.748776 0.645274 Se\n-0.000000 0.246225 0.848301 S\n-0.000000 0.753774 0.348301 S\n",
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"volume": 184.37945364336494,
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"formula_full": "Ge4 Se2 S2",
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"spacegroup": 26
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{
"id": "jvasp-112670",
"created_at": "2022-09-04T14:38:43.230656Z",
"updated_at": "2022-09-04T14:38:43.230686Z",
"structure_string": "La2 Mn4 Bi2 O12\n1.0\n5.508252 0.000041 -0.000080\n0.000103 5.609227 0.000004\n0.000120 0.000004 7.815631\nLa Mn Bi O\n2 4 2 12\ndirect\n0.492629 0.459394 0.749999 La\n0.007449 0.959560 0.749999 La\n0.002402 0.499631 0.001264 Mn\n0.497592 -0.000411 0.498730 Mn\n0.002401 0.499631 0.498736 Mn\n0.497592 -0.000411 0.001269 Mn\n0.509205 0.550486 0.250000 Bi\n0.990723 0.050497 0.250000 Bi\n0.085417 0.475426 0.250001 O\n0.414551 0.975391 0.249999 O\n0.211331 0.210047 0.540086 O\n0.288686 0.710030 0.959899 O\n0.790726 0.791114 0.041238 O\n0.211332 0.210044 0.959914 O\n0.790727 0.791112 0.458761 O\n0.709270 0.291095 0.041226 O\n0.571033 0.013113 0.750001 O\n0.288683 0.710029 0.540100 O\n0.709273 0.291097 0.458773 O\n0.928971 0.513126 0.749998 O\n",
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{
"id": "jvasp-102850",
"created_at": "2022-09-04T14:38:44.369246Z",
"updated_at": "2022-09-04T14:38:44.369265Z",
"structure_string": "W2 O4 F4\n1.0\n3.890185 -0.000000 0.000000\n0.000000 6.489797 0.000000\n0.000000 -0.000000 7.709201\nW O F\n2 4 4\ndirect\n0.950774 0.000000 0.984451 W\n0.049225 0.000000 0.484451 W\n0.493016 0.000000 0.968085 O\n0.004225 0.000000 0.716360 O\n0.506982 0.000000 0.468085 O\n0.995774 0.000000 0.216360 O\n0.014431 0.284640 0.954112 F\n0.014431 0.715360 0.954112 F\n0.985567 0.284640 0.454112 F\n0.985567 0.715360 0.454112 F\n",
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{
"id": "jvasp-105541",
"created_at": "2022-09-04T14:38:44.691738Z",
"updated_at": "2022-09-04T14:38:44.691768Z",
"structure_string": "Ce4 Si2 Ge2\n1.0\n3.992195 0.000000 0.000000\n0.000000 5.888667 0.000000\n0.000000 -0.000000 8.240887\nCe Si Ge\n4 2 2\ndirect\n-0.000000 0.130650 0.682292 Ce\n-0.000000 0.869351 0.182292 Ce\n0.500001 0.364251 0.318702 Ce\n0.500001 0.635749 0.818702 Ce\n0.500001 0.883340 0.462850 Si\n0.500001 0.116661 0.962850 Si\n-0.000000 0.617968 0.536156 Ge\n-0.000000 0.382032 0.036156 Ge\n",
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"formula_full": "Ce4 Si2 Ge2",
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"spacegroup": 26
},
{
"id": "jvasp-106718",
"created_at": "2022-09-04T14:38:44.770568Z",
"updated_at": "2022-09-04T14:38:44.770598Z",
"structure_string": "Th4 Si2 Ge2\n1.0\n4.312478 0.000000 0.000000\n0.000000 5.942591 0.000000\n0.000000 0.000000 7.898988\nTh Si Ge\n4 2 2\ndirect\n-0.000000 0.115228 0.682873 Th\n-0.000000 0.884772 0.182872 Th\n0.500000 0.380515 0.318292 Th\n0.500000 0.619485 0.818292 Th\n0.500000 0.900746 0.456480 Si\n0.500000 0.099254 0.956480 Si\n-0.000000 0.601665 0.542356 Ge\n-0.000000 0.398335 0.042356 Ge\n",
"nsites": 8,
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"volume": 202.42967948846828,
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"formula_full": "Th4 Si2 Ge2",
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"spacegroup": 26
}
]
}