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{
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{
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{
"id": "jvasp-16564",
"created_at": "2022-09-04T14:37:58.452670Z",
"updated_at": "2022-09-04T14:37:58.452696Z",
"structure_string": "Mo2 Ir2\n1.0\n2.779497 0.000000 0.000000\n0.000000 4.459767 -0.000000\n0.000000 -0.000000 4.853367\nMo Ir\n2 2\ndirect\n0.000000 0.250000 0.829358 Mo\n0.000000 0.750001 0.170643 Mo\n0.500001 0.250000 0.324025 Ir\n0.500001 0.750001 0.675976 Ir\n",
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"formula_full": "Mo2 Ir2",
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"spacegroup": 51
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{
"id": "jvasp-16565",
"created_at": "2022-09-04T14:37:42.408341Z",
"updated_at": "2022-09-04T14:37:42.408359Z",
"structure_string": "Mo2 Ir6\n1.0\n2.775249 -4.806873 -0.000000\n2.775249 4.806873 0.000000\n0.000000 0.000000 4.423479\nMo Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Mo\n0.666667 0.333333 0.250000 Mo\n0.333149 0.166575 0.750000 Ir\n0.166575 0.833425 0.250000 Ir\n0.166575 0.333149 0.250000 Ir\n0.833425 0.666852 0.750000 Ir\n0.833425 0.166575 0.750000 Ir\n0.666852 0.833425 0.250000 Ir\n",
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"formula_full": "Mo2 Ir6",
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"spacegroup": 194
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{
"id": "jvasp-111352",
"created_at": "2022-09-04T14:38:49.996757Z",
"updated_at": "2022-09-04T14:38:49.996779Z",
"structure_string": "Mo1 Ir1\n1.0\n2.787409 0.000000 0.000000\n-1.393705 2.413966 0.000000\n-0.000000 0.000000 4.479848\nMo Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666668 0.500000 Ir\n",
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"elements": [
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{
"id": "jvasp-38447",
"created_at": "2022-09-04T14:38:00.708186Z",
"updated_at": "2022-09-04T14:38:00.708207Z",
"structure_string": "Mo3 I1\n1.0\n0.000000 3.267680 3.267680\n3.267680 0.000000 3.267680\n3.267680 3.267680 0.000000\nMo I\n3 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 I\n",
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{
"id": "jvasp-33815",
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"structure_string": "Mo2 I6\n1.0\n10.062848 0.000000 0.000000\n-5.031424 8.714681 0.000000\n-0.000000 -0.000000 3.694323\nMo I\n2 6\ndirect\n0.666667 0.333333 0.250001 Mo\n0.333333 0.666666 0.749998 Mo\n0.788690 0.211310 0.749998 I\n0.422622 0.211310 0.749998 I\n0.788689 0.577377 0.749998 I\n0.211310 0.788689 0.250001 I\n0.577378 0.788689 0.250001 I\n0.211311 0.422623 0.250001 I\n",
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{
"id": "jvasp-38450",
"created_at": "2022-09-04T14:38:07.293954Z",
"updated_at": "2022-09-04T14:38:07.293980Z",
"structure_string": "Mo3 H1\n1.0\n-1.767849 1.767849 4.409599\n1.767849 -1.767849 4.409599\n1.767849 1.767849 -4.409599\nMo H\n3 1\ndirect\n0.750002 0.249999 0.500002 Mo\n0.249999 0.750002 0.500002 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 H\n",
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},
{
"id": "jvasp-38428",
"created_at": "2022-09-04T14:37:46.367677Z",
"updated_at": "2022-09-04T14:37:46.367692Z",
"structure_string": "Mo3 H1\n1.0\n-0.000000 3.031531 3.031532\n3.031533 -0.000000 3.031532\n3.031533 3.031532 0.000000\nMo H\n3 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.499999 0.500000 Mo\n0.250001 0.250001 0.250001 Mo\n0.750001 0.750000 0.750000 H\n",
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{
"id": "jvasp-18402",
"created_at": "2022-09-04T14:35:59.818270Z",
"updated_at": "2022-09-04T14:35:59.818290Z",
"structure_string": "Mo2 H2\n1.0\n1.463076 -2.534122 -0.000000\n1.463076 2.534122 0.000000\n0.000000 -0.000000 5.116431\nMo H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.666668 0.333334 0.750000 H\n0.333334 0.666668 0.250000 H\n",
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{
"id": "jvasp-22595",
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"structure_string": "Mo2 F6\n1.0\n4.667247 0.069182 3.422627\n1.772287 4.318214 3.422627\n0.101542 0.069182 5.786818\nMo F\n2 6\ndirect\n0.500001 0.499999 0.500001 Mo\n0.000000 0.000000 0.000000 Mo\n0.370769 0.749999 0.129233 F\n0.750001 0.129231 0.370768 F\n0.870768 0.629232 0.250001 F\n0.250001 0.870766 0.629234 F\n0.629234 0.249999 0.870768 F\n0.129232 0.370767 0.750001 F\n",
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