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{
"id": "jvasp-68802",
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"structure_string": "Be1 Mo1 Cl1\n1.0\n1.476792 -2.557881 0.000000\n1.476792 2.557881 -0.000000\n0.000000 0.000000 5.828474\nBe Mo Cl\n1 1 1\ndirect\n0.000000 -0.000000 0.018678 Be\n0.666666 0.333332 0.329265 Mo\n0.333332 0.666666 0.652057 Cl\n",
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{
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"structure_string": "Be1 Mo1 Br4\n1.0\n-0.000000 4.397033 4.397033\n4.397033 -0.000000 4.397033\n4.397033 4.397033 -0.000000\nBe Mo Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Mo\n0.624998 0.125006 0.624998 Br\n0.125006 0.624998 0.624998 Br\n0.624998 0.624998 0.624998 Br\n0.624998 0.624998 0.125006 Br\n",
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{
"id": "jvasp-65026",
"created_at": "2022-09-04T14:35:55.043416Z",
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"structure_string": "Be1 Ir4 W1\n1.0\n0.000000 3.607037 3.607037\n3.607037 -0.000000 3.607037\n3.607037 3.607037 0.000000\nBe Ir W\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123213 0.625596 0.625596 Ir\n0.625596 0.625596 0.625596 Ir\n0.625596 0.123213 0.625596 Ir\n0.625596 0.625596 0.123213 Ir\n0.250000 0.250000 0.250000 W\n",
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"volume": 93.860267435306,
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"formula_full": "Be1 Ir4 W1",
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{
"id": "jvasp-64961",
"created_at": "2022-09-04T14:36:06.062502Z",
"updated_at": "2022-09-04T14:36:06.062531Z",
"structure_string": "Be1 Ir4 Se1\n1.0\n-0.000000 3.675521 3.675521\n3.675521 0.000000 3.675521\n3.675521 3.675521 -0.000000\nBe Ir Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625260 0.124218 0.625260 Ir\n0.124218 0.625260 0.625260 Ir\n0.625260 0.625260 0.625260 Ir\n0.625260 0.625260 0.124218 Ir\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
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"elements": [
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],
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"density": 14.327228960434427,
"density_atomic": 0.060417747446607,
"volume": 99.30856831930687,
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"formula_full": "Be1 Ir4 Se1",
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"spacegroup": 216
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{
"id": "jvasp-65070",
"created_at": "2022-09-04T14:38:16.219284Z",
"updated_at": "2022-09-04T14:38:16.219312Z",
"structure_string": "Be1 Ir4 Rh1\n1.0\n0.000000 3.617066 3.617066\n3.617066 0.000000 3.617066\n3.617066 3.617066 0.000000\nBe Ir Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124743 0.625086 0.625086 Ir\n0.625086 0.625086 0.625086 Ir\n0.625086 0.124743 0.625086 Ir\n0.625086 0.625086 0.124743 Ir\n0.250000 0.250000 0.250000 Rh\n",
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"elements": [
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"density": 15.453257734192336,
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"volume": 94.64535306537849,
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{
"id": "jvasp-70289",
"created_at": "2022-09-04T14:36:12.902618Z",
"updated_at": "2022-09-04T14:36:12.902656Z",
"structure_string": "Be1 Ir4 Pt1\n1.0\n-0.000000 3.629706 3.629706\n3.629706 0.000000 3.629706\n3.629706 3.629706 -0.000000\nBe Ir Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374861 0.374861 0.374861 Ir\n0.374861 0.875419 0.374861 Ir\n0.374861 0.374861 0.875419 Ir\n0.875419 0.374861 0.374861 Ir\n0.750001 0.750001 0.750001 Pt\n",
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{
"id": "jvasp-65055",
"created_at": "2022-09-04T14:35:47.435821Z",
"updated_at": "2022-09-04T14:35:47.435842Z",
"structure_string": "Be1 Ir4 Pd1\n1.0\n0.000000 3.630775 3.630775\n3.630775 0.000000 3.630775\n3.630775 3.630775 -0.000000\nBe Ir Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124367 0.625212 0.625212 Ir\n0.625212 0.625212 0.625212 Ir\n0.625212 0.124367 0.625212 Ir\n0.625212 0.625212 0.124367 Ir\n0.250000 0.250000 0.250000 Pd\n",
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"formula_full": "Be1 Ir4 Pd1",
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"spacegroup": 216
},
{
"id": "jvasp-71924",
"created_at": "2022-09-04T14:35:41.789568Z",
"updated_at": "2022-09-04T14:35:41.789583Z",
"structure_string": "Be1 Ir2 Se1\n1.0\n-1.812699 1.812699 4.336261\n1.812699 -1.812699 4.336261\n1.812699 1.812699 -4.336261\nBe Ir Se\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Se\n",
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"spacegroup": 119
},
{
"id": "jvasp-70765",
"created_at": "2022-09-04T14:36:06.863935Z",
"updated_at": "2022-09-04T14:36:06.863954Z",
"structure_string": "Be1 Ir2 Br1\n1.0\n2.859279 -0.000000 0.000000\n0.000000 2.859279 -0.000000\n-0.000000 -0.000000 8.099313\nBe Ir Br\n1 2 1\ndirect\n0.000000 0.000000 0.413971 Be\n0.000000 0.000000 0.037946 Ir\n0.500000 0.500000 0.272339 Ir\n0.500000 0.500000 0.775744 Br\n",
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"spacegroup": 99
},
{
"id": "jvasp-74059",
"created_at": "2022-09-04T14:36:00.008264Z",
"updated_at": "2022-09-04T14:36:00.008295Z",
"structure_string": "Be1 Ir1 W2\n1.0\n3.124622 0.000000 0.000000\n0.000000 3.124622 -0.000000\n0.000000 -0.000000 5.791151\nBe Ir W\n1 1 2\ndirect\n0.000000 0.000000 0.506381 Be\n0.500000 0.500000 0.714495 Ir\n0.000000 0.000000 0.017516 W\n0.500000 0.500000 0.261609 W\n",
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{
"id": "jvasp-70340",
"created_at": "2022-09-04T14:36:16.018563Z",
"updated_at": "2022-09-04T14:36:16.018579Z",
"structure_string": "Be1 Ir1 W1\n1.0\n1.383203 -2.395777 0.000000\n1.383203 2.395777 -0.000000\n-0.000000 -0.000000 6.140814\nBe Ir W\n1 1 1\ndirect\n0.000000 0.000000 0.012272 Be\n0.333332 0.666666 0.313652 Ir\n0.666666 0.333332 0.674076 W\n",
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{
"id": "jvasp-70997",
"created_at": "2022-09-04T14:35:47.409746Z",
"updated_at": "2022-09-04T14:35:47.409765Z",
"structure_string": "Be1 Ir1 Se2\n1.0\n3.012999 0.000000 -0.000000\n0.000000 3.012999 0.000000\n-0.000000 0.000000 7.552613\nBe Ir Se\n1 1 2\ndirect\n0.000000 0.000000 0.544894 Be\n0.500000 0.500000 0.676192 Ir\n0.000000 0.000000 0.934026 Se\n0.500000 0.500000 0.344886 Se\n",
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]
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