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{
"id": "jvasp-90777",
"created_at": "2022-09-04T14:36:22.222799Z",
"updated_at": "2022-09-04T14:36:22.222828Z",
"structure_string": "Sr6 Mg2\n1.0\n4.340199 0.000000 0.000000\n0.000000 12.880330 0.000000\n0.000000 0.000000 6.366834\nSr Mg\n6 2\ndirect\n0.500000 0.000000 0.916670 Sr\n0.000000 0.282440 0.916654 Sr\n0.500000 0.217560 0.416654 Sr\n0.000000 0.500000 0.416670 Sr\n0.500000 0.782440 0.416654 Sr\n0.000000 0.717560 0.916654 Sr\n0.000000 0.000000 0.416688 Mg\n0.500000 0.500000 0.916688 Mg\n",
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{
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"created_at": "2022-09-04T14:37:51.960686Z",
"updated_at": "2022-09-04T14:37:51.960707Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.308397 0.000000 -0.000000\n-1.654198 2.865148 0.000005\n-0.000000 0.000074 37.545786\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666648 0.333294 0.418605 Te\n0.666645 0.333289 0.520700 Te\n0.333310 0.666620 0.093940 Mo\n0.333311 0.666622 0.469657 Mo\n0.666692 0.333382 0.281768 W\n0.666688 0.333375 0.657552 W\n0.666647 0.333291 0.049285 Se\n0.666645 0.333288 0.138694 Se\n0.333353 0.666707 0.322677 S\n0.333352 0.666705 0.698375 S\n0.333358 0.666717 0.240850 S\n0.333352 0.666707 0.616647 S\n",
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{
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"created_at": "2022-09-04T14:37:41.387776Z",
"updated_at": "2022-09-04T14:37:41.387800Z",
"structure_string": "Y6 Mn6 O18\n1.0\n2.934808 -5.083236 -0.000000\n2.934808 5.083236 -0.000000\n0.000000 -0.000000 11.926896\nY Mn O\n6 6 18\ndirect\n0.666668 0.333333 0.231203 Y\n0.333333 0.666668 0.731203 Y\n0.666668 0.333333 0.731203 Y\n0.333333 0.666668 0.231203 Y\n0.000000 0.000000 0.782938 Y\n0.000000 0.000000 0.282938 Y\n0.336536 -0.000000 0.001411 Mn\n0.336536 0.336536 0.501411 Mn\n-0.000000 0.663465 0.501411 Mn\n0.663465 0.663465 0.001411 Mn\n0.663465 -0.000000 0.501411 Mn\n-0.000000 0.336536 0.001411 Mn\n-0.000000 0.366301 0.841896 O\n-0.000000 0.299468 0.161715 O\n-0.000000 0.700533 0.661715 O\n0.299468 0.299468 0.661715 O\n0.299468 -0.000000 0.161715 O\n0.633699 -0.000000 0.341896 O\n0.633699 0.633699 0.841896 O\n-0.000000 0.633699 0.341896 O\n0.666668 0.333333 0.515997 O\n0.366301 -0.000000 0.841896 O\n0.000000 0.000000 0.482600 O\n0.000000 0.000000 0.982600 O\n0.333333 0.666668 0.015997 O\n0.700533 0.700533 0.161715 O\n0.333333 0.666668 0.515997 O\n0.666668 0.333333 0.015997 O\n0.366301 0.366301 0.341896 O\n0.700533 -0.000000 0.661715 O\n",
"nsites": 30,
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"elements": [
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"volume": 355.8585423125144,
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"formula_full": "Y6 Mn6 O18",
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"spacegroup": 185
},
{
"id": "jvasp-107402",
"created_at": "2022-09-04T14:36:50.491377Z",
"updated_at": "2022-09-04T14:36:50.491396Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n6.888433 -0.000000 3.977038\n2.296144 6.494477 3.977038\n-0.000000 -0.000000 7.954077\nK Bi Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500001 Au\n0.745808 0.254191 0.254192 Br\n0.254191 0.254191 0.745809 Br\n0.254190 0.745809 0.745810 Br\n0.254190 0.745809 0.254191 Br\n0.745808 0.254191 0.745810 Br\n0.745808 0.745809 0.254192 Br\n",
"nsites": 10,
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"elements": [
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"density": 4.4965234150696896,
"density_atomic": 0.02810254082507772,
"volume": 355.83971080210483,
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-29153",
"created_at": "2022-09-04T14:37:43.008842Z",
"updated_at": "2022-09-04T14:37:43.008864Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.312465 0.000000 0.000000\n-1.656232 2.868696 -0.000007\n0.000000 -0.000102 37.447098\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333360 0.666719 0.708872 Te\n0.333360 0.666720 0.606029 Te\n0.333312 0.666624 0.093988 Mo\n0.333265 0.666529 0.469620 Mo\n0.666693 0.333386 0.281789 W\n0.666695 0.333393 0.657479 W\n0.666638 0.333275 0.049240 Se\n0.666648 0.333296 0.138819 Se\n0.333364 0.666729 0.322876 S\n0.666655 0.333311 0.428819 S\n0.666655 0.333311 0.510465 S\n0.333358 0.666719 0.240751 S\n",
"nsites": 12,
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{
"id": "jvasp-86676",
"created_at": "2022-09-04T14:35:41.147129Z",
"updated_at": "2022-09-04T14:35:41.147162Z",
"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.717301 0.000000 -0.894793\n-0.169728 4.714247 -0.894793\n0.550048 0.570208 15.781909\nRb Mn Cl\n3 2 7\ndirect\n0.187515 0.187516 0.375032 Rb\n0.812484 0.812485 0.624969 Rb\n0.500000 0.500000 0.000000 Rb\n0.372829 0.372830 0.745659 Mn\n0.627170 0.627171 0.254342 Mn\n0.705470 0.705471 0.410941 Cl\n0.111308 0.611309 0.222616 Cl\n0.388691 0.888692 0.777384 Cl\n0.888691 0.388692 0.777384 Cl\n0.294529 0.294530 0.589059 Cl\n0.000000 0.000000 0.000000 Cl\n0.611308 0.111309 0.222616 Cl\n",
"nsites": 12,
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"volume": 355.78003650564085,
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"formula_full": "Rb3 Mn2 Cl7",
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"formula_anonymous": "A2B3C7",
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"spacegroup": 139
},
{
"id": "jvasp-52286",
"created_at": "2022-09-04T14:37:02.549694Z",
"updated_at": "2022-09-04T14:37:02.549720Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.887072 0.000000 0.000000\n-0.000000 6.824104 0.000000\n0.000000 0.000000 10.667337\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.887898 0.750000 0.578164 Si\n0.612101 0.750000 0.078164 Si\n0.387898 0.250000 0.921836 Si\n0.112101 0.250000 0.421836 Si\n0.064182 0.750000 0.279960 Bi\n0.435817 0.750000 0.779961 Bi\n0.564182 0.250000 0.220040 Bi\n0.935817 0.250000 0.720040 Bi\n0.253015 0.062931 0.343583 O\n0.280587 0.750000 0.072585 O\n0.219413 0.750000 0.572585 O\n0.246985 0.062931 0.843583 O\n0.246985 0.437069 0.843583 O\n0.246111 0.250000 0.062411 O\n0.753889 0.750000 0.937589 O\n0.746985 0.937068 0.656417 O\n0.753014 0.562931 0.156417 O\n0.780586 0.250000 0.427415 O\n0.719413 0.250000 0.927415 O\n0.746985 0.562931 0.656417 O\n0.253015 0.437069 0.343583 O\n0.746110 0.750000 0.437589 O\n0.753014 0.937068 0.156417 O\n0.253889 0.250000 0.562411 O\n",
"nsites": 28,
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"formula_full": "Li4 Si4 Bi4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-86076",
"created_at": "2022-09-04T14:36:20.417568Z",
"updated_at": "2022-09-04T14:36:20.417597Z",
"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.717214 0.000000 -0.894776\n-0.169724 4.714160 -0.894776\n0.549961 0.570118 15.781212\nRb Mn Cl\n3 2 7\ndirect\n0.187504 0.187504 0.375009 Rb\n0.812496 0.812496 0.624990 Rb\n0.500000 0.500000 -0.000000 Rb\n0.372835 0.372835 0.745670 Mn\n0.627165 0.627165 0.254330 Mn\n0.705471 0.705471 0.410941 Cl\n0.111298 0.611298 0.222594 Cl\n0.388703 0.888703 0.777405 Cl\n0.888702 0.388703 0.777405 Cl\n0.294529 0.294529 0.589058 Cl\n0.000000 0.000000 0.000000 Cl\n0.611297 0.111298 0.222594 Cl\n",
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"formula_full": "Rb3 Mn2 Cl7",
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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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},
{
"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",
"nsites": 10,
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{
"id": "jvasp-37001",
"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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],
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},
{
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"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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}
]
}