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{
"id": "jvasp-87992",
"created_at": "2022-09-04T14:36:15.062624Z",
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"structure_string": "Te8 Mo2 Br2\n1.0\n6.710467 0.002891 -1.538013\n-2.309138 6.919442 -3.073602\n0.005085 0.053701 7.990969\nTe Mo Br\n8 2 2\ndirect\n0.879591 0.668248 0.827251 Te\n0.037598 0.888372 0.232578 Te\n0.962403 0.111627 0.767423 Te\n0.538008 0.238349 0.931986 Te\n0.611295 0.144826 0.311082 Te\n0.388706 0.855174 0.688918 Te\n0.120409 0.331751 0.172750 Te\n0.461993 0.761651 0.068015 Te\n0.781610 0.999804 0.001499 Mo\n0.218391 0.000195 0.998501 Mo\n0.743716 0.598435 0.415631 Br\n0.256284 0.401565 0.584370 Br\n",
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{
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"structure_string": "Ba4 Tl1 Ga1\n1.0\n0.000000 5.038496 5.038496\n5.038496 0.000000 5.038496\n5.038496 5.038496 0.000000\nBa Tl Ga\n4 1 1\ndirect\n0.125319 0.624894 0.624894 Ba\n0.624894 0.624894 0.624894 Ba\n0.624894 0.125319 0.624894 Ba\n0.624894 0.624894 0.125319 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ga\n",
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{
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"structure_string": "Ba4 Pd1 W1\n1.0\n-0.000000 4.782937 4.782937\n4.782937 -0.000000 4.782937\n4.782937 4.782937 -0.000000\nBa Pd W\n4 1 1\ndirect\n0.125496 0.624835 0.624835 Ba\n0.624835 0.624835 0.624835 Ba\n0.624835 0.125496 0.624835 Ba\n0.624835 0.624835 0.125496 Ba\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 W\n",
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"volume": 218.8335859482599,
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{
"id": "jvasp-42667",
"created_at": "2022-09-04T14:36:02.622331Z",
"updated_at": "2022-09-04T14:36:02.622353Z",
"structure_string": "Sr2 Ca2 I8\n1.0\n-5.322737 5.313168 4.760115\n5.322737 -5.313168 4.760115\n5.322737 5.313168 -4.760115\nSr Ca I\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250705 0.250000 0.000705 Ca\n0.749295 0.750001 0.999295 Ca\n0.748591 0.042493 0.291083 I\n0.693527 0.500775 0.192752 I\n0.808024 0.000775 0.807248 I\n0.748591 0.457508 0.706099 I\n0.251410 0.542493 0.293902 I\n0.306473 0.499226 0.807248 I\n0.191977 0.999226 0.192752 I\n0.251410 0.957508 0.708917 I\n",
"nsites": 12,
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"elements": [
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"density": 3.918346259269291,
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"volume": 538.475555025651,
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"spacegroup": 65
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{
"id": "jvasp-64502",
"created_at": "2022-09-04T14:36:14.915942Z",
"updated_at": "2022-09-04T14:36:14.915976Z",
"structure_string": "Ba4 Ge1 Pb1\n1.0\n0.000000 4.956763 4.956763\n4.956763 0.000000 4.956763\n4.956763 4.956763 0.000000\nBa Ge Pb\n4 1 1\ndirect\n0.125713 0.624762 0.624762 Ba\n0.624762 0.624762 0.624762 Ba\n0.624762 0.125713 0.624762 Ba\n0.624762 0.624762 0.125713 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-66108",
"created_at": "2022-09-04T14:36:02.639230Z",
"updated_at": "2022-09-04T14:36:02.639255Z",
"structure_string": "Ba4 Ru1 Br1\n1.0\n0.000000 4.879098 4.879098\n4.879098 0.000000 4.879098\n4.879098 4.879098 0.000000\nBa Ru Br\n4 1 1\ndirect\n0.122611 0.625797 0.625797 Ba\n0.625797 0.625797 0.625797 Ba\n0.625797 0.122611 0.625797 Ba\n0.625797 0.625797 0.122611 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:36:07.546018Z",
"updated_at": "2022-09-04T14:36:07.546036Z",
"structure_string": "Ba4 Be1 Ge1\n1.0\n-0.000000 4.929419 4.929419\n4.929419 0.000000 4.929419\n4.929419 4.929419 -0.000000\nBa Be Ge\n4 1 1\ndirect\n0.122809 0.625731 0.625731 Ba\n0.625731 0.625731 0.625731 Ba\n0.625731 0.122809 0.625731 Ba\n0.625731 0.625731 0.122809 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Ge\n",
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"density_atomic": 0.025045750539948695,
"volume": 239.56159710326216,
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"formula_full": "Ba4 Be1 Ge1",
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{
"id": "jvasp-65309",
"created_at": "2022-09-04T14:36:02.644419Z",
"updated_at": "2022-09-04T14:36:02.644447Z",
"structure_string": "Be1 In4 Mo1\n1.0\n0.000000 4.007522 4.007522\n4.007522 0.000000 4.007522\n4.007522 4.007522 0.000000\nBe In Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124778 0.625074 0.625074 In\n0.625074 0.625074 0.625074 In\n0.625074 0.124778 0.625074 In\n0.625074 0.625074 0.124778 In\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"volume": 128.72347078281277,
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"formula_full": "Be1 In4 Mo1",
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{
"id": "jvasp-64165",
"created_at": "2022-09-04T14:36:13.542724Z",
"updated_at": "2022-09-04T14:36:13.542749Z",
"structure_string": "Ba4 Cd1 Si1\n1.0\n-0.000000 4.964181 4.964181\n4.964181 0.000000 4.964181\n4.964181 4.964181 -0.000000\nBa Cd Si\n4 1 1\ndirect\n0.121672 0.626109 0.626109 Ba\n0.626109 0.626109 0.626109 Ba\n0.626109 0.121672 0.626109 Ba\n0.626109 0.626109 0.121672 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "jvasp-63885",
"created_at": "2022-09-04T14:36:03.310322Z",
"updated_at": "2022-09-04T14:36:03.310346Z",
"structure_string": "Ba4 Ti1 Pd1\n1.0\n0.000000 4.899668 4.899668\n4.899668 0.000000 4.899668\n4.899668 4.899668 0.000000\nBa Ti Pd\n4 1 1\ndirect\n0.126977 0.624341 0.624341 Ba\n0.624341 0.624341 0.624341 Ba\n0.624341 0.126977 0.624341 Ba\n0.624341 0.624341 0.126977 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-65197",
"created_at": "2022-09-04T14:36:01.850329Z",
"updated_at": "2022-09-04T14:36:01.850355Z",
"structure_string": "Be1 Cd4 Se1\n1.0\n0.000000 4.075154 4.075154\n4.075154 -0.000000 4.075154\n4.075154 4.075154 -0.000000\nBe Cd Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123764 0.625412 0.625412 Cd\n0.625412 0.625412 0.625412 Cd\n0.625412 0.123764 0.625412 Cd\n0.625412 0.625412 0.123764 Cd\n0.250000 0.250000 0.250000 Se\n",
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{
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"created_at": "2022-09-04T14:36:10.852670Z",
"updated_at": "2022-09-04T14:36:10.852698Z",
"structure_string": "Ba4 Fe1 Ni1\n1.0\n0.000000 4.806787 4.806787\n4.806787 0.000000 4.806787\n4.806787 4.806787 -0.000000\nBa Fe Ni\n4 1 1\ndirect\n0.124930 0.625024 0.625024 Ba\n0.625024 0.625024 0.625024 Ba\n0.625024 0.124930 0.625024 Ba\n0.625024 0.625024 0.124930 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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