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{
"id": "jvasp-39471",
"created_at": "2022-09-04T14:37:53.736929Z",
"updated_at": "2022-09-04T14:37:53.736946Z",
"structure_string": "Ir1 Ru1\n1.0\n1.372469 -2.377187 -0.000000\n1.372469 2.377187 0.000000\n0.000000 0.000000 4.363124\nIr Ru\n1 1\ndirect\n0.333333 0.666667 0.000000 Ir\n0.666667 0.333333 0.500000 Ru\n",
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{
"id": "jvasp-106362",
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"structure_string": "Ir1 Ru1\n1.0\n2.601449 -0.001207 3.936283\n1.182303 2.317261 3.936283\n-0.001972 -0.001207 4.718247\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.499999 0.500000 Ru\n",
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{
"id": "jvasp-39451",
"created_at": "2022-09-04T14:38:03.348095Z",
"updated_at": "2022-09-04T14:38:03.348118Z",
"structure_string": "Ir3 Ru1\n1.0\n-1.931517 1.931517 3.866365\n1.931517 -1.931517 3.866365\n1.931517 1.931517 -3.866365\nIr Ru\n3 1\ndirect\n0.749999 0.250000 0.499999 Ir\n0.250000 0.749999 0.499999 Ir\n0.499998 0.499998 0.000000 Ir\n0.000000 0.000000 0.000000 Ru\n",
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"spacegroup": 139
},
{
"id": "jvasp-41931",
"created_at": "2022-09-04T14:37:36.198638Z",
"updated_at": "2022-09-04T14:37:36.198654Z",
"structure_string": "Ir2 Ru6\n1.0\n2.735611 -4.738217 -0.000000\n2.735611 4.738217 -0.000000\n0.000000 0.000000 4.324424\nIr Ru\n2 6\ndirect\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.749999 Ir\n0.165693 0.834307 0.749999 Ru\n0.668613 0.834306 0.749999 Ru\n0.165693 0.331387 0.749999 Ru\n0.834307 0.165693 0.250000 Ru\n0.331387 0.165693 0.250000 Ru\n0.834306 0.668613 0.250000 Ru\n",
"nsites": 8,
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"density": 14.67679444572653,
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"volume": 112.105663289163,
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"formula_full": "Ir2 Ru6",
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"spacegroup": 194
},
{
"id": "jvasp-41817",
"created_at": "2022-09-04T14:37:37.414535Z",
"updated_at": "2022-09-04T14:37:37.414553Z",
"structure_string": "Ir4 S6\n1.0\n-6.051712 -0.000001 -0.000001\n3.025856 -5.240937 0.000000\n-3.025857 1.746979 5.285744\nIr S\n4 6\ndirect\n0.647964 0.352036 0.056107 Ir\n0.852035 0.147964 0.443894 Ir\n0.147964 0.852035 0.556107 Ir\n0.352035 0.647964 0.943893 Ir\n0.546898 0.750000 0.250000 S\n0.250000 0.046899 0.250000 S\n0.953100 0.453101 0.250000 S\n0.046899 0.546899 0.750000 S\n0.749999 0.953101 0.750000 S\n0.453101 0.249999 0.750000 S\n",
"nsites": 10,
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"elements": [
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"S"
],
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"density": 9.521287505460661,
"density_atomic": 0.05964947349632288,
"volume": 167.64607319822287,
"volume_molar": 10.095882506609614,
"formula_full": "Ir4 S6",
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"formula_anonymous": "A2B3",
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"spacegroup": 167
},
{
"id": "jvasp-22453",
"created_at": "2022-09-04T14:38:31.153167Z",
"updated_at": "2022-09-04T14:38:31.153194Z",
"structure_string": "Ir3 Se8\n1.0\n6.056862 -0.006231 -0.039707\n-0.039927 6.056734 -0.039707\n-0.006196 -0.006231 6.056989\nIr Se\n3 8\ndirect\n0.499999 0.000000 0.500000 Ir\n-0.000001 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.379560 0.115765 0.879052 Se\n0.115764 0.879051 0.379560 Se\n0.879051 0.379561 0.115764 Se\n0.373438 0.373439 0.373439 Se\n0.626560 0.626561 0.626561 Se\n0.120947 0.620439 0.884235 Se\n0.884234 0.120948 0.620439 Se\n0.620439 0.884234 0.120947 Se\n",
"nsites": 11,
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"elements": [
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"chemical_system": "Ir-Se",
"density": 9.030272577595428,
"density_atomic": 0.04950607891419228,
"volume": 222.19493527382852,
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"formula_full": "Ir3 Se8",
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"spacegroup": 148
},
{
"id": "jvasp-123673",
"created_at": "2022-09-04T14:38:52.665037Z",
"updated_at": "2022-09-04T14:38:52.665074Z",
"structure_string": "Ir1 Se2\n1.0\n1.862071 -3.221516 -0.013289\n1.858880 3.219674 0.000000\n0.023154 -0.013368 5.162128\nIr Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Ir\n0.665505 0.666082 0.422060 Se\n0.334494 0.000576 0.911273 Se\n",
"nsites": 3,
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"volume": 61.86257610873984,
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"formula_full": "Ir1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-18731",
"created_at": "2022-09-04T14:37:04.699525Z",
"updated_at": "2022-09-04T14:37:04.699538Z",
"structure_string": "Ir6 W2\n1.0\n2.779603 -4.814414 -0.000000\n2.779603 4.814414 0.000000\n0.000000 -0.000000 4.435762\nIr W\n6 2\ndirect\n0.166512 0.333023 0.250000 Ir\n0.833487 0.666976 0.750000 Ir\n0.833488 0.166511 0.750000 Ir\n0.666976 0.833487 0.250000 Ir\n0.166511 0.833488 0.250000 Ir\n0.333023 0.166512 0.750000 Ir\n0.666666 0.333333 0.250000 W\n0.333333 0.666666 0.750000 W\n",
"nsites": 8,
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"elements": [
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"density": 21.273979435633045,
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"formula_full": "Ir6 W2",
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"energy_above_hull": 5.378735825,
"spacegroup": 194
},
{
"id": "jvasp-18730",
"created_at": "2022-09-04T14:37:02.493594Z",
"updated_at": "2022-09-04T14:37:02.493622Z",
"structure_string": "Ir2 W2\n1.0\n2.788629 0.000000 0.000000\n0.000000 4.487513 0.000000\n0.000000 0.000000 4.867524\nIr W\n2 2\ndirect\n0.500000 0.250000 0.323033 Ir\n0.500000 0.750000 0.676966 Ir\n0.000000 0.250000 0.827875 W\n0.000000 0.750000 0.172125 W\n",
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"density": 20.503509772485817,
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"volume": 60.91223860671615,
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"spacegroup": 51
},
{
"id": "jvasp-106797",
"created_at": "2022-09-04T14:36:54.365110Z",
"updated_at": "2022-09-04T14:36:54.365131Z",
"structure_string": "Ir4 W1\n1.0\n2.739866 -0.000708 11.101892\n1.349087 2.384707 11.101892\n-0.001214 -0.000708 11.434984\nIr W\n4 1\ndirect\n0.600546 0.600543 0.600541 Ir\n0.199256 0.199255 0.199255 Ir\n0.800748 0.800744 0.800741 Ir\n0.399458 0.399456 0.399455 Ir\n0.000000 0.000000 0.000000 W\n",
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},
{
"id": "jvasp-106799",
"created_at": "2022-09-04T14:36:55.070252Z",
"updated_at": "2022-09-04T14:36:55.070271Z",
"structure_string": "Ir1 W1\n1.0\n2.803992 -0.000000 0.000000\n-1.401996 2.428329 0.000000\n0.000000 0.000000 4.494176\nIr W\n1 1\ndirect\n0.333332 0.666667 0.500000 Ir\n0.000000 0.000000 0.000000 W\n",
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},
{
"id": "jvasp-114316",
"created_at": "2022-09-04T14:38:40.233443Z",
"updated_at": "2022-09-04T14:38:40.233466Z",
"structure_string": "K1 Ag1\n1.0\n5.751852 0.000000 0.000000\n0.000000 5.751852 -0.000000\n0.000000 0.000000 6.243727\nK Ag\n1 1\ndirect\n0.000000 -0.000000 0.749974 K\n0.000000 -0.000000 0.250026 Ag\n",
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