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{
"id": "jvasp-36282",
"created_at": "2022-09-04T14:37:19.703024Z",
"updated_at": "2022-09-04T14:37:19.703041Z",
"structure_string": "Ir1 N1\n1.0\n2.324992 2.324992 0.000000\n2.324992 0.000000 -2.324992\n-0.000000 2.324992 -2.324992\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.749999 0.749999 0.749999 N\n",
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{
"id": "jvasp-79452",
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"structure_string": "Ir2 N2\n1.0\n2.749098 0.000000 0.000000\n-0.000000 2.749098 0.000000\n0.000000 0.000000 6.055650\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
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{
"id": "jvasp-16907",
"created_at": "2022-09-04T14:37:38.533824Z",
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"structure_string": "Ir2 N4\n1.0\n2.789519 0.000000 0.000000\n0.000000 4.094053 0.000000\n0.000000 -0.000000 4.932143\nIr N\n2 4\ndirect\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.371499 0.908867 N\n0.500000 0.628500 0.091132 N\n0.000000 0.128500 0.408867 N\n0.000000 0.871499 0.591132 N\n",
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"volume": 56.32723644838468,
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"formula_full": "Ir2 N4",
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},
{
"id": "jvasp-35905",
"created_at": "2022-09-04T14:37:34.843178Z",
"updated_at": "2022-09-04T14:37:34.843197Z",
"structure_string": "Ir2 N4\n1.0\n2.744606 0.000000 0.000000\n-1.372303 3.010588 -0.000000\n0.000000 0.000000 7.434965\nIr N\n2 4\ndirect\n0.728567 0.457129 0.250000 Ir\n0.271436 0.542871 0.749999 Ir\n1.002181 1.004358 0.414980 N\n-0.002178 -0.004357 0.585020 N\n-0.002178 -0.004357 0.914979 N\n1.002181 1.004358 0.085020 N\n",
"nsites": 6,
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"density": 11.905457736322225,
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"volume": 61.43420789899258,
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"formula_full": "Ir2 N4",
"formula_reduced": "IrN2",
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"spacegroup": 63
},
{
"id": "jvasp-35906",
"created_at": "2022-09-04T14:37:34.561855Z",
"updated_at": "2022-09-04T14:37:34.561874Z",
"structure_string": "Ir3 N3\n1.0\n4.109393 0.000000 -0.000000\n0.000000 4.109393 -0.000000\n0.000000 0.000000 4.109393\nIr N\n3 3\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
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"elements": [
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"density": 14.803891598620035,
"density_atomic": 0.0864605950077319,
"volume": 69.39577502865252,
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"spacegroup": 221
},
{
"id": "jvasp-79591",
"created_at": "2022-09-04T14:36:51.589614Z",
"updated_at": "2022-09-04T14:36:51.589640Z",
"structure_string": "Ir2 N2\n1.0\n-1.550639 -2.685855 0.000000\n-1.550639 2.685855 -0.000000\n0.000000 0.000000 -5.205468\nIr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.666674 0.333326 0.750000 N\n0.333326 0.666674 0.250000 N\n",
"nsites": 4,
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"elements": [
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"density": 15.795545373029734,
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"volume": 43.35937787795607,
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"formula_full": "Ir2 N2",
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"spacegroup": 194
},
{
"id": "jvasp-78788",
"created_at": "2022-09-04T14:37:11.862922Z",
"updated_at": "2022-09-04T14:37:11.862942Z",
"structure_string": "Ir1 N2\n1.0\n-1.376594 -3.016379 0.000000\n-1.376594 3.016379 0.000000\n0.000000 0.000000 -3.747529\nIr N\n1 2\ndirect\n0.288540 0.711458 0.500000 Ir\n0.022378 0.977620 0.167636 N\n0.022378 0.977620 0.832364 N\n",
"nsites": 3,
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"elements": [
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"density": 11.75058764681223,
"density_atomic": 0.0963949929432197,
"volume": 31.121948437374893,
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"formula_full": "Ir1 N2",
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"spacegroup": 38
},
{
"id": "jvasp-80019",
"created_at": "2022-09-04T14:37:16.122148Z",
"updated_at": "2022-09-04T14:37:16.122167Z",
"structure_string": "Ti2 Mo1 Ir1\n1.0\n0.000001 3.120418 3.120417\n3.120418 0.000000 3.120418\n3.120416 3.120417 0.000002\nTi Mo Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500002 Ti\n0.749999 0.749999 0.750000 Mo\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"Mo",
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],
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"density": 10.49033110898244,
"density_atomic": 0.06582519577602063,
"volume": 60.767004987126136,
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"formula_full": "Ti2 Mo1 Ir1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99603",
"created_at": "2022-09-04T14:36:39.117373Z",
"updated_at": "2022-09-04T14:36:39.117391Z",
"structure_string": "Ta2 Mo1 Ir1\n1.0\n3.929904 -0.000000 2.268931\n1.309968 3.705149 2.268931\n-0.000000 -0.000000 4.537862\nTa Mo Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.749999 Ta\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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],
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"density": 16.336491851416827,
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"volume": 66.0752634744856,
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"formula_full": "Ta2 Mo1 Ir1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-21190",
"created_at": "2022-09-04T14:38:29.348818Z",
"updated_at": "2022-09-04T14:38:29.348844Z",
"structure_string": "Mo2 Ir2 O12\n1.0\n0.000000 5.177998 0.003223\n5.274585 0.000000 0.000000\n0.000000 -5.181357 -7.439101\nMo Ir O\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Mo\n-0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.673923 0.486613 0.750086 O\n0.838554 0.202695 0.038592 O\n0.262102 0.202214 0.461889 O\n0.737898 0.702214 0.038111 O\n0.161447 0.702696 0.461408 O\n0.326077 0.986614 0.749915 O\n0.673923 0.013387 0.250086 O\n0.838553 0.297305 0.538592 O\n0.262102 0.297787 0.961889 O\n0.161446 0.797305 0.961408 O\n0.737898 0.797787 0.538111 O\n0.326077 0.513388 0.249915 O\n",
"nsites": 16,
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],
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"formula_full": "Mo2 Ir2 O12",
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},
{
"id": "jvasp-20086",
"created_at": "2022-09-04T14:35:45.749618Z",
"updated_at": "2022-09-04T14:35:45.749641Z",
"structure_string": "Mo6 Ir2\n1.0\n4.995573 0.000000 -0.000000\n0.000000 4.995573 -0.000000\n-0.000000 0.000000 4.995573\nMo Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Mo\n0.500000 0.749999 0.000000 Mo\n0.250000 0.000000 0.500000 Mo\n0.749999 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.749999 Mo\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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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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}