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"results": [
{
"id": "jvasp-61494",
"created_at": "2022-09-04T14:35:54.674306Z",
"updated_at": "2022-09-04T14:35:54.674331Z",
"structure_string": "Tb1 B2 Ir3\n1.0\n4.734297 2.733240 -0.026184\n-4.734297 2.733240 -0.026184\n0.000000 0.030448 3.173029\nTb B Ir\n1 2 3\ndirect\n0.500000 0.500000 0.500002 Tb\n0.166675 0.833325 0.500002 B\n0.833325 0.166675 0.500002 B\n0.000000 0.000000 0.000000 Ir\n0.500000 -0.000000 0.000001 Ir\n-0.000000 0.500000 0.000001 Ir\n",
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{
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"created_at": "2022-09-04T14:38:04.622944Z",
"updated_at": "2022-09-04T14:38:04.622972Z",
"structure_string": "Tb2 B8 Ir8\n1.0\n7.675799 -0.000000 0.000000\n0.000000 7.675799 -0.000000\n-0.000000 -0.000000 3.974131\nTb B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.656906 0.224447 0.111190 B\n0.224447 0.343094 0.888810 B\n0.775553 0.656906 0.888810 B\n0.343094 0.775553 0.111190 B\n0.275553 0.156906 0.611190 B\n0.156906 0.724447 0.388810 B\n0.843094 0.275553 0.388810 B\n0.724447 0.843094 0.611190 B\n0.392046 0.162115 0.112660 Ir\n0.892046 0.662115 0.387340 Ir\n0.107954 0.337885 0.387340 Ir\n0.337885 0.892046 0.612660 Ir\n0.662115 0.107954 0.612660 Ir\n0.837885 0.392046 0.887339 Ir\n0.162115 0.607954 0.887339 Ir\n0.607954 0.837885 0.112660 Ir\n",
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"formula_full": "Tb2 B8 Ir8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 86
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{
"id": "jvasp-15885",
"created_at": "2022-09-04T14:37:45.632592Z",
"updated_at": "2022-09-04T14:37:45.632608Z",
"structure_string": "Th1 B2 Ir3\n1.0\n2.753101 -4.768511 -0.000000\n2.753101 4.768511 0.000000\n-0.000000 -0.000000 3.253098\nTh B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 -0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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"density": 16.142018662093268,
"density_atomic": 0.07024560788141211,
"volume": 85.41459289709809,
"volume_molar": 8.572978356407015,
"formula_full": "Th1 B2 Ir3",
"formula_reduced": "ThB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.731550677777778,
"spacegroup": 191
},
{
"id": "jvasp-120427",
"created_at": "2022-09-04T14:38:51.923143Z",
"updated_at": "2022-09-04T14:38:51.923170Z",
"structure_string": "Tm2 B8 Ir8\n1.0\n5.401342 0.000000 0.000000\n0.000000 5.401342 0.000000\n0.000000 0.000000 7.465205\nTm B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.500000 0.828268 0.848009 B\n0.328268 0.000000 0.348009 B\n0.671732 0.000000 0.348009 B\n0.500000 0.171732 0.848009 B\n-0.000000 0.328268 0.651992 B\n0.171732 0.500000 0.151992 B\n0.828268 0.500000 0.151992 B\n-0.000000 0.671732 0.651992 B\n0.500000 0.749150 0.145633 Ir\n0.250850 0.500000 0.854367 Ir\n0.749150 0.500000 0.854367 Ir\n-0.000000 0.750850 0.354367 Ir\n-0.000000 0.249150 0.354367 Ir\n0.249150 0.000000 0.645634 Ir\n0.750850 0.000000 0.645634 Ir\n0.500000 0.250850 0.145633 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"B",
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"chemical_system": "B-Ir-Tm",
"density": 14.959720033774763,
"density_atomic": 0.08264706085990071,
"volume": 217.79358893975342,
"volume_molar": 7.286575829004301,
"formula_full": "Tm2 B8 Ir8",
"formula_reduced": "Tm(BIr)4",
"formula_anonymous": "AB4C4",
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"spacegroup": 137
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{
"id": "jvasp-93366",
"created_at": "2022-09-04T14:36:07.855346Z",
"updated_at": "2022-09-04T14:36:07.855363Z",
"structure_string": "Tm1 B2 Ir3\n1.0\n0.035978 -0.000000 3.162150\n-5.440932 -0.000000 0.061921\n-2.720466 -4.712108 0.030960\nTm B Ir\n1 2 3\ndirect\n0.500000 0.500000 -0.000000 Tm\n0.500000 0.166677 0.666646 B\n0.500000 0.833322 0.333355 B\n-0.000000 0.000000 -0.000000 Ir\n-0.000000 0.500000 0.500000 Ir\n-0.000000 0.000000 0.500000 Ir\n",
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"elements": [
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"density": 15.712111080173157,
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"volume": 81.08251894869815,
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"formula_full": "Tm1 B2 Ir3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
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{
"id": "jvasp-15886",
"created_at": "2022-09-04T14:37:45.966093Z",
"updated_at": "2022-09-04T14:37:45.966115Z",
"structure_string": "U1 B2 Ir3\n1.0\n2.734348 -4.736029 -0.000000\n2.734348 4.736029 -0.000000\n-0.000000 -0.000000 3.174784\nU B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.499999 Ir\n0.500000 0.500000 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n",
"nsites": 6,
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"elements": [
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"density": 16.88884182155746,
"density_atomic": 0.07296909037881419,
"volume": 82.22659716396899,
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"formula_full": "U1 B2 Ir3",
"formula_reduced": "UB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.243820744444444,
"spacegroup": 191
},
{
"id": "jvasp-93949",
"created_at": "2022-09-04T14:36:04.591988Z",
"updated_at": "2022-09-04T14:36:04.592015Z",
"structure_string": "Y1 B2 Ir3\n1.0\n0.077608 0.000000 3.169715\n-5.462882 0.000000 0.134150\n-2.731442 -4.732094 0.067075\nY B Ir\n1 2 3\ndirect\n0.500001 0.500000 0.000000 Y\n0.500002 0.166668 0.666662 B\n0.500001 0.833331 0.333337 B\n0.000000 0.000000 0.000000 Ir\n0.000001 0.500000 0.500000 Ir\n0.000001 0.000000 0.500000 Ir\n",
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"elements": [
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"volume": 81.98916036569194,
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"formula_full": "Y1 B2 Ir3",
"formula_reduced": "YB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.645535652777777,
"spacegroup": 191
},
{
"id": "jvasp-22061",
"created_at": "2022-09-04T14:37:34.988287Z",
"updated_at": "2022-09-04T14:37:34.988302Z",
"structure_string": "Y2 B4 Ir4\n1.0\n5.327092 -0.010122 -1.356988\n-2.866007 4.490437 -1.356988\n0.003997 0.007276 6.186627\nY B Ir\n2 4 4\ndirect\n0.125000 0.875001 0.750000 Y\n0.875000 0.125001 0.250000 Y\n0.805554 0.194448 0.750000 B\n0.555553 0.444447 0.250000 B\n0.444447 0.555555 0.750000 B\n0.194447 0.805554 0.250000 B\n0.752480 0.502481 0.004962 Ir\n0.502481 0.752482 0.504962 Ir\n0.247520 0.497521 0.995039 Ir\n0.497520 0.247520 0.495038 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"B",
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"chemical_system": "B-Ir-Y",
"density": 11.113114536072828,
"density_atomic": 0.06760595795550751,
"volume": 147.91595744536522,
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"formula_full": "Y2 B4 Ir4",
"formula_reduced": "Y(BIr)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 70
},
{
"id": "jvasp-35336",
"created_at": "2022-09-04T14:37:28.958935Z",
"updated_at": "2022-09-04T14:37:28.958968Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n2.812069 -4.870646 -0.000000\n2.812069 4.870646 0.000000\n0.000000 -0.000000 2.937776\nYb B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500001 Yb\n0.333333 0.666667 0.500001 B\n0.666667 0.333333 0.500001 B\n-0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 -0.000000 0.000000 Ir\n",
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"elements": [
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"volume": 80.47504220025212,
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"formula_anonymous": "AB2C3",
"energy_above_hull": 3.965943194444444,
"spacegroup": 191
},
{
"id": "jvasp-61939",
"created_at": "2022-09-04T14:35:49.624227Z",
"updated_at": "2022-09-04T14:35:49.624256Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n4.870709 2.811864 -0.032785\n-4.870709 2.811864 -0.032785\n0.000000 0.034189 2.937611\nYb B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499998 Yb\n0.166662 0.833337 0.499998 B\n0.833337 0.166662 0.499998 B\n0.000000 0.000000 0.000000 Ir\n-0.000000 0.500000 -0.000001 Ir\n0.500000 -0.000000 -0.000001 Ir\n",
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"volume": 80.4766158218477,
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"formula_full": "Yb1 B2 Ir3",
"formula_reduced": "YbB2Ir3",
"formula_anonymous": "AB2C3",
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},
{
"id": "jvasp-55144",
"created_at": "2022-09-04T14:38:33.090334Z",
"updated_at": "2022-09-04T14:38:33.090359Z",
"structure_string": "Zn2 B6 Ir8\n1.0\n2.815045 0.000000 0.000000\n0.000000 2.846920 0.000000\n0.000000 0.000000 23.611404\nZn B Ir\n2 6 8\ndirect\n0.499999 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.499999 -0.000000 0.376724 B\n0.000000 0.000000 0.122168 B\n0.000000 0.000000 0.877832 B\n-0.000000 0.500000 0.239927 B\n-0.000000 0.500000 0.760073 B\n0.499999 -0.000000 0.623276 B\n0.499999 0.500000 0.915854 Ir\n0.499999 -0.000000 0.196719 Ir\n0.000000 0.000000 0.692799 Ir\n0.499999 -0.000000 0.803281 Ir\n0.499999 0.500000 0.084145 Ir\n0.000000 0.000000 0.307201 Ir\n-0.000000 0.500000 0.417125 Ir\n-0.000000 0.500000 0.582875 Ir\n",
"nsites": 16,
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"elements": [
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"chemical_system": "B-Ir-Zn",
"density": 15.211445412456122,
"density_atomic": 0.08455466346854094,
"volume": 189.22670073606162,
"volume_molar": 7.122186421143492,
"formula_full": "Zn2 B6 Ir8",
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"spacegroup": 47
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{
"id": "jvasp-8677",
"created_at": "2022-09-04T14:37:05.360188Z",
"updated_at": "2022-09-04T14:37:05.360200Z",
"structure_string": "Zn1 B2 Ir2\n1.0\n2.934399 0.000000 -0.670699\n-0.153298 2.930392 -0.670699\n-0.020627 -0.021734 6.664304\nZn B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 B\n0.249999 0.750000 0.499999 B\n0.372630 0.372632 0.745263 Ir\n0.627368 0.627369 0.254736 Ir\n",
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"formula_full": "Zn1 B2 Ir2",
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"spacegroup": 139
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}