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{
"id": "jvasp-41989",
"created_at": "2022-09-04T14:37:35.306693Z",
"updated_at": "2022-09-04T14:37:35.306723Z",
"structure_string": "Be3 Ir1\n1.0\n-1.640779 1.640779 3.623541\n1.640779 -1.640779 3.623541\n1.640779 1.640779 -3.623541\nBe Ir\n3 1\ndirect\n0.750002 0.250000 0.500002 Be\n0.250000 0.750002 0.500002 Be\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Ir\n",
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"volume": 39.020546618372656,
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{
"id": "jvasp-67565",
"created_at": "2022-09-04T14:35:52.758108Z",
"updated_at": "2022-09-04T14:35:52.758139Z",
"structure_string": "K1 Be1 Ir1\n1.0\n-1.559147 1.559147 5.757535\n1.559147 -1.559147 5.757535\n1.559147 1.559147 -5.757535\nK Be Ir\n1 1 1\ndirect\n0.670896 0.670896 0.000000 K\n0.931436 0.931436 0.000000 Be\n0.397665 0.397665 0.000000 Ir\n",
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"formula_full": "K1 Be1 Ir1",
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{
"id": "jvasp-72097",
"created_at": "2022-09-04T14:35:47.129707Z",
"updated_at": "2022-09-04T14:35:47.129735Z",
"structure_string": "K1 Be1 Ir2\n1.0\n-1.972119 1.972119 4.221082\n1.972119 -1.972119 4.221082\n1.972119 1.972119 -4.221082\nK Be Ir\n1 1 2\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Ir-K",
"density": 10.937796998063554,
"density_atomic": 0.060912998214511564,
"volume": 65.66742923921717,
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"formula_full": "K1 Be1 Ir2",
"formula_reduced": "KBeIr2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-41885",
"created_at": "2022-09-04T14:37:36.805762Z",
"updated_at": "2022-09-04T14:37:36.805782Z",
"structure_string": "Li1 Be2 Ir1\n1.0\n-0.000000 2.747306 2.747306\n2.747306 0.000000 2.747306\n2.747306 2.747306 -0.000000\nLi Be Ir\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Li\n0.500002 0.500002 0.500002 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 8.696060528076178,
"density_atomic": 0.096451479044868,
"volume": 41.471629461889854,
"volume_molar": 6.243699754151595,
"formula_full": "Li1 Be2 Ir1",
"formula_reduced": "LiBe2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-64990",
"created_at": "2022-09-04T14:37:41.193201Z",
"updated_at": "2022-09-04T14:37:41.193219Z",
"structure_string": "Li1 Be1 Ir4\n1.0\n0.000000 3.629012 3.629012\n3.629012 0.000000 3.629012\n3.629012 3.629012 0.000000\nLi Be Ir\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.625088 0.124736 0.625088 Ir\n0.124736 0.625088 0.625088 Ir\n0.625088 0.625088 0.625088 Ir\n0.625088 0.625088 0.124736 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Be",
"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 13.63404129070862,
"density_atomic": 0.06277056559516268,
"volume": 95.58620259528745,
"volume_molar": 9.593892779044973,
"formula_full": "Li1 Be1 Ir4",
"formula_reduced": "LiBeIr4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-67521",
"created_at": "2022-09-04T14:36:00.617604Z",
"updated_at": "2022-09-04T14:36:00.617640Z",
"structure_string": "Li1 Be2 Ir1\n1.0\n2.935361 0.000000 0.000000\n-0.000000 2.935361 0.000000\n0.000000 -0.000000 5.057807\nLi Be Ir\n1 2 1\ndirect\n0.500000 0.500000 0.750249 Li\n0.000000 0.000000 0.016388 Be\n0.500000 0.500000 0.263387 Be\n0.000000 0.000000 0.469978 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 8.27538791497203,
"density_atomic": 0.09178563114781563,
"volume": 43.57980601079295,
"volume_molar": 6.56109315226223,
"formula_full": "Li1 Be2 Ir1",
"formula_reduced": "LiBe2Ir",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-66706",
"created_at": "2022-09-04T14:35:44.255152Z",
"updated_at": "2022-09-04T14:35:44.255171Z",
"structure_string": "Mg1 Be1 Ir1\n1.0\n1.431154 -2.478831 -0.000000\n1.431154 2.478831 0.000000\n0.000000 0.000000 6.055742\nMg Be Ir\n1 1 1\ndirect\n0.666666 0.333332 0.334247 Mg\n0.000000 0.000000 0.964866 Be\n0.333332 0.666666 0.700887 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mg",
"density": 8.71627297863442,
"density_atomic": 0.06982173034603764,
"volume": 42.96656621272419,
"volume_molar": 8.625023656896172,
"formula_full": "Mg1 Be1 Ir1",
"formula_reduced": "MgBeIr",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-71720",
"created_at": "2022-09-04T14:36:03.944578Z",
"updated_at": "2022-09-04T14:36:03.944604Z",
"structure_string": "Mg1 Be1 Ir2\n1.0\n-1.832256 1.832256 4.066326\n1.832256 -1.832256 4.066326\n1.832256 1.832256 -4.066326\nMg Be Ir\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 4,
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"elements": [
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"Be",
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"density": 12.703760428019569,
"density_atomic": 0.07325301452316635,
"volume": 54.60526131296611,
"volume_molar": 8.221014246581609,
"formula_full": "Mg1 Be1 Ir2",
"formula_reduced": "MgBeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5250768375,
"spacegroup": 119
},
{
"id": "jvasp-74376",
"created_at": "2022-09-04T14:36:07.429693Z",
"updated_at": "2022-09-04T14:36:07.429727Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n2.831063 0.000000 0.000000\n0.000000 2.831063 -0.000000\n0.000000 -0.000000 5.399978\nMn Be Ir\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Mn\n0.000000 0.000000 0.764931 Be\n0.000000 0.000000 0.235069 Be\n0.499999 0.499999 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Be",
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],
"chemical_system": "Be-Ir-Mn",
"density": 10.174143003524629,
"density_atomic": 0.09242063180066613,
"volume": 43.28037930564298,
"volume_molar": 6.516013408119328,
"formula_full": "Mn1 Be2 Ir1",
"formula_reduced": "MnBe2Ir",
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"spacegroup": 123
},
{
"id": "jvasp-64945",
"created_at": "2022-09-04T14:35:42.374480Z",
"updated_at": "2022-09-04T14:35:42.374511Z",
"structure_string": "Mn1 Be1 Ir4\n1.0\n0.000000 3.597077 3.597077\n3.597077 -0.000000 3.597077\n3.597077 3.597077 0.000000\nMn Be Ir\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Mn\n0.000000 0.000000 0.000000 Be\n0.374817 0.374817 0.374817 Ir\n0.374817 0.875549 0.374817 Ir\n0.374817 0.374817 0.875549 Ir\n0.875549 0.374817 0.374817 Ir\n",
"nsites": 6,
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],
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"formula_full": "Mn1 Be1 Ir4",
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"spacegroup": 216
},
{
"id": "jvasp-74975",
"created_at": "2022-09-04T14:35:42.666231Z",
"updated_at": "2022-09-04T14:35:42.666251Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n-1.776300 1.776300 3.457555\n1.776300 -1.776300 3.457555\n1.776300 1.776300 -3.457555\nMn Be Ir\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Ir\n",
"nsites": 4,
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},
{
"id": "jvasp-108658",
"created_at": "2022-09-04T14:38:28.686918Z",
"updated_at": "2022-09-04T14:38:28.686948Z",
"structure_string": "Mn1 Be1 Ir2\n1.0\n3.579108 -0.000000 2.066399\n1.193036 3.374415 2.066399\n-0.000000 -0.000000 4.132798\nMn Be Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500000 Be\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750000 Ir\n",
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}