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{
"id": "jvasp-20252",
"created_at": "2022-09-04T14:37:51.466923Z",
"updated_at": "2022-09-04T14:37:51.466943Z",
"structure_string": "Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
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{
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"structure_string": "Ti1 Mo2\n1.0\n6.733757 0.004000 1.880469\n6.236423 2.544938 0.891214\n-0.001942 0.009923 2.771683\nTi Mo\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.332099 0.332098 0.667900 Mo\n0.667901 0.667902 0.332098 Mo\n",
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{
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"created_at": "2022-09-04T14:37:17.784564Z",
"updated_at": "2022-09-04T14:37:17.784574Z",
"structure_string": "Ti1 Mo3\n1.0\n0.000000 -3.165181 0.000000\n-4.438049 0.000000 0.000000\n2.219024 1.582590 -4.482257\nTi Mo\n1 3\ndirect\n0.000000 0.500000 0.000000 Ti\n0.244295 0.244296 0.488590 Mo\n0.755705 0.755706 0.511410 Mo\n0.500000 0.000000 0.000000 Mo\n",
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"elements": [
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},
{
"id": "jvasp-37029",
"created_at": "2022-09-04T14:38:05.901646Z",
"updated_at": "2022-09-04T14:38:05.901672Z",
"structure_string": "Ti2 Mo2\n1.0\n0.000000 -2.656043 -0.000000\n-5.224700 0.000000 0.000000\n2.612350 1.328021 -4.963034\nTi Mo\n2 2\ndirect\n0.631237 0.881237 0.762476 Ti\n0.368762 0.118762 0.237523 Ti\n0.626735 0.376736 0.753472 Mo\n0.373264 0.623264 0.246527 Mo\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mo-Ti",
"density": 6.934504094008314,
"density_atomic": 0.05807861893975382,
"volume": 68.87216109854961,
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"formula_full": "Ti2 Mo2",
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"spacegroup": 74
},
{
"id": "jvasp-14741",
"created_at": "2022-09-04T14:38:11.567679Z",
"updated_at": "2022-09-04T14:38:11.567734Z",
"structure_string": "Ti1 N1\n1.0\n2.604148 -0.000000 1.503505\n0.868050 2.455213 1.503505\n0.000000 0.000000 3.007010\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500002 N\n",
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"elements": [
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"volume": 19.226034174116904,
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"formula_full": "Ti1 N1",
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"spacegroup": 225
},
{
"id": "jvasp-37594",
"created_at": "2022-09-04T14:38:35.490466Z",
"updated_at": "2022-09-04T14:38:35.490494Z",
"structure_string": "Ti3 N1\n1.0\n-1.732731 1.732731 4.298417\n1.732731 -1.732731 4.298417\n1.732731 1.732731 -4.298417\nTi N\n3 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.250000 0.749999 0.499999 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"volume": 51.62152463306853,
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"formula_full": "Ti3 N1",
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"spacegroup": 139
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{
"id": "jvasp-37595",
"created_at": "2022-09-04T14:38:35.502849Z",
"updated_at": "2022-09-04T14:38:35.502877Z",
"structure_string": "Ti3 N1\n1.0\n3.672746 0.000000 -0.000000\n0.000000 3.672746 -0.000000\n-0.000000 0.000000 3.672746\nTi N\n3 1\ndirect\n0.500001 0.000000 0.500001 Ti\n0.000000 0.500001 0.500001 Ti\n0.500001 0.500001 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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"volume": 49.541902839987415,
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},
{
"id": "jvasp-116349",
"created_at": "2022-09-04T14:38:49.595274Z",
"updated_at": "2022-09-04T14:38:49.595296Z",
"structure_string": "Ti1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 8.466836\nTi N\n1 1\ndirect\n0.000000 0.000000 0.230541 Ti\n0.000000 0.000000 -0.077360 N\n",
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"elements": [
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"volume": 237.09554610261696,
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"formula_full": "Ti1 N1",
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"spacegroup": 99
},
{
"id": "jvasp-110147",
"created_at": "2022-09-04T14:38:19.705183Z",
"updated_at": "2022-09-04T14:38:19.705195Z",
"structure_string": "Ti3 N4\n1.0\n3.797094 0.002210 -3.441599\n-0.744595 3.723373 -3.441599\n-0.001810 -0.002210 5.124697\nTi N\n3 4\ndirect\n0.250001 0.749999 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.750000 0.250000 0.500000 Ti\n0.000001 0.500000 0.500000 N\n0.260462 0.260462 -0.000000 N\n0.500000 0.000000 0.500000 N\n0.739538 0.739538 -0.000001 N\n",
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"volume": 72.40366120252338,
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"formula_full": "Ti3 N4",
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"formula_anonymous": "A3B4",
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"spacegroup": 139
},
{
"id": "jvasp-37010",
"created_at": "2022-09-04T14:38:01.579618Z",
"updated_at": "2022-09-04T14:38:01.579643Z",
"structure_string": "Ti1 N1\n1.0\n2.636069 0.000000 -0.000000\n-0.000000 2.636069 0.000000\n0.000000 0.000000 2.636069\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 N\n",
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"elements": [
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"volume": 18.317673832322317,
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"spacegroup": 221
},
{
"id": "jvasp-37011",
"created_at": "2022-09-04T14:38:03.795600Z",
"updated_at": "2022-09-04T14:38:03.795633Z",
"structure_string": "Ti1 N1\n1.0\n2.300416 2.300416 -0.000000\n2.300416 0.000000 -2.300416\n-0.000000 2.300416 -2.300416\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 N\n",
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"formula_full": "Ti1 N1",
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},
{
"id": "jvasp-16036",
"created_at": "2022-09-04T14:36:59.660265Z",
"updated_at": "2022-09-04T14:36:59.660297Z",
"structure_string": "Ti4 N2\n1.0\n4.953084 -0.000000 0.000000\n0.000000 4.953084 0.000000\n0.000000 0.000000 3.037127\nTi N\n4 2\ndirect\n0.203285 0.796714 0.500000 Ti\n0.703284 0.703284 0.000000 Ti\n0.796714 0.203285 0.500000 Ti\n0.296715 0.296715 0.000000 Ti\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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]
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