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{
"id": "jvasp-64464",
"created_at": "2022-09-04T14:35:59.661386Z",
"updated_at": "2022-09-04T14:35:59.661408Z",
"structure_string": "Ba4 Tl1 Pb1\n1.0\n0.000000 5.058666 5.058666\n5.058666 -0.000000 5.058666\n5.058666 5.058666 -0.000000\nBa Tl Pb\n4 1 1\ndirect\n0.126757 0.624415 0.624415 Ba\n0.624415 0.624415 0.624415 Ba\n0.624415 0.126757 0.624415 Ba\n0.624415 0.624415 0.126757 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:03.562685Z",
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"structure_string": "Ba4 Zn1 Ga1\n1.0\n-0.000000 5.026546 5.026546\n5.026546 0.000000 5.026546\n5.026546 5.026546 -0.000000\nBa Zn Ga\n4 1 1\ndirect\n0.126217 0.624595 0.624595 Ba\n0.624595 0.624595 0.624595 Ba\n0.624595 0.126217 0.624595 Ba\n0.624595 0.624595 0.126217 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ga\n",
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{
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"structure_string": "Be1 Ga1 Cu4\n1.0\n-0.000000 3.386880 3.386880\n3.386880 0.000000 3.386880\n3.386880 3.386880 -0.000000\nBe Ga Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ga\n0.123883 0.625372 0.625372 Cu\n0.625372 0.625372 0.625372 Cu\n0.625372 0.123883 0.625372 Cu\n0.625372 0.625372 0.123883 Cu\n",
"nsites": 6,
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"volume": 77.70150382495336,
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"formula_full": "Be1 Ga1 Cu4",
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"spacegroup": 216
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{
"id": "jvasp-65137",
"created_at": "2022-09-04T14:35:48.585311Z",
"updated_at": "2022-09-04T14:35:48.585342Z",
"structure_string": "Na4 Be1 Zn1\n1.0\n-0.000000 4.308118 4.308118\n4.308118 -0.000000 4.308118\n4.308118 4.308118 -0.000000\nNa Be Zn\n4 1 1\ndirect\n0.124080 0.625307 0.625307 Na\n0.625307 0.625307 0.625307 Na\n0.625307 0.124080 0.625307 Na\n0.625307 0.625307 0.124080 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 6,
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"elements": [
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"Be",
"Zn"
],
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"volume": 159.91631225962286,
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"formula_full": "Na4 Be1 Zn1",
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"spacegroup": 216
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{
"id": "jvasp-65111",
"created_at": "2022-09-04T14:35:59.647828Z",
"updated_at": "2022-09-04T14:35:59.647851Z",
"structure_string": "Na1 Be1 In4\n1.0\n-0.000000 4.338167 4.338167\n4.338167 0.000000 4.338167\n4.338167 4.338167 0.000000\nNa Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Be\n0.124202 0.625266 0.625266 In\n0.625266 0.625266 0.625266 In\n0.625266 0.124202 0.625266 In\n0.625266 0.625266 0.124202 In\n",
"nsites": 6,
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"spacegroup": 216
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{
"id": "jvasp-21525",
"created_at": "2022-09-04T14:35:53.982430Z",
"updated_at": "2022-09-04T14:35:53.982450Z",
"structure_string": "Rb6 Zn6 F18\n1.0\n2.971187 -5.146247 -0.000000\n2.971187 5.146247 0.000000\n0.000000 -0.000000 14.572833\nRb Zn F\n6 6 18\ndirect\n0.333333 0.666668 0.595900 Rb\n0.666668 0.333333 0.095900 Rb\n0.666668 0.333333 0.404100 Rb\n0.333333 0.666668 0.904100 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666668 0.153662 Zn\n0.666668 0.333333 0.846338 Zn\n0.333333 0.666668 0.346338 Zn\n0.666668 0.333333 0.653662 Zn\n0.669034 0.834517 0.419894 F\n0.969425 0.484712 0.750000 F\n0.030576 0.515289 0.250000 F\n0.484712 0.969425 0.250000 F\n0.515289 0.484712 0.750000 F\n0.834517 0.165484 0.919894 F\n0.165484 0.330967 0.419894 F\n0.330967 0.165484 0.919894 F\n0.330967 0.165484 0.580106 F\n0.165484 0.834517 0.080106 F\n0.165484 0.330967 0.080106 F\n0.165484 0.834517 0.419894 F\n0.669034 0.834517 0.080106 F\n0.515289 0.030576 0.750000 F\n0.834517 0.165484 0.580106 F\n0.834517 0.669034 0.580106 F\n0.834517 0.669034 0.919894 F\n0.484712 0.515289 0.250000 F\n",
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"volume": 445.6507038351487,
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"formula_full": "Rb6 Zn6 F18",
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{
"id": "jvasp-66099",
"created_at": "2022-09-04T14:35:48.586071Z",
"updated_at": "2022-09-04T14:35:48.586107Z",
"structure_string": "Ba1 Li1 Cd1\n1.0\n0.000000 3.992966 3.992966\n3.992966 -0.000000 3.992966\n3.992966 3.992966 -0.000000\nBa Li Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
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"density_atomic": 0.023561580666932286,
"volume": 127.32592275569938,
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"formula_full": "Ba1 Li1 Cd1",
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"spacegroup": 216
},
{
"id": "jvasp-64724",
"created_at": "2022-09-04T14:35:47.989652Z",
"updated_at": "2022-09-04T14:35:47.989677Z",
"structure_string": "Ba4 Ga1 Cu1\n1.0\n0.000000 4.961917 4.961917\n4.961917 0.000000 4.961917\n4.961917 4.961917 0.000000\nBa Ga Cu\n4 1 1\ndirect\n0.124271 0.625244 0.625244 Ba\n0.625244 0.625244 0.625244 Ba\n0.625244 0.124271 0.625244 Ba\n0.625244 0.625244 0.124271 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.638977498287351,
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"volume": 244.3309489819861,
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"formula_full": "Ba4 Ga1 Cu1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-92923",
"created_at": "2022-09-04T14:35:58.747117Z",
"updated_at": "2022-09-04T14:35:58.747153Z",
"structure_string": "Mg6 Cd1 B1\n1.0\n6.751773 -0.410059 0.000000\n-3.731008 5.642178 0.000000\n0.000000 0.000000 4.541465\nMg Cd B\n6 1 1\ndirect\n0.170637 0.877919 0.250000 Mg\n0.622081 0.329363 0.250000 Mg\n0.671378 0.828622 0.250000 Mg\n0.318804 0.680910 0.750001 Mg\n0.819090 0.181196 0.750001 Mg\n0.825436 0.674564 0.750001 Mg\n0.158615 0.341385 0.250000 Cd\n0.413958 0.086042 0.750001 B\n",
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"spacegroup": 38
},
{
"id": "jvasp-95419",
"created_at": "2022-09-04T14:36:03.575858Z",
"updated_at": "2022-09-04T14:36:03.575878Z",
"structure_string": "Ge8 Br16\n1.0\n6.833658 0.000000 -1.426226\n0.000000 8.063279 0.000000\n0.318048 0.000000 12.921432\nGe Br\n8 16\ndirect\n0.750042 0.874892 -0.000010 Ge\n0.749959 0.374892 0.000009 Ge\n0.249959 0.125108 0.000009 Ge\n0.250041 0.625108 -0.000009 Ge\n0.749933 0.624899 0.500112 Ge\n0.750068 0.124899 0.499887 Ge\n0.250068 0.375101 0.499887 Ge\n0.249932 0.875101 0.500112 Ge\n0.626054 0.375183 0.627889 Br\n0.873947 0.875183 0.372111 Br\n0.374046 0.874727 0.872125 Br\n0.125954 0.374727 0.127875 Br\n0.625954 0.125273 0.127875 Br\n0.874047 0.625273 0.872125 Br\n0.126077 0.875010 0.127915 Br\n0.125991 0.624988 0.627907 Br\n0.873923 0.124990 0.872085 Br\n0.626078 0.624990 0.127915 Br\n0.126053 0.124817 0.627889 Br\n0.374009 0.124988 0.372093 Br\n0.874009 0.375012 0.372093 Br\n0.625992 0.875012 0.627907 Br\n0.373923 0.375010 0.872085 Br\n0.373947 0.624817 0.372111 Br\n",
"nsites": 24,
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{
"id": "jvasp-94739",
"created_at": "2022-09-04T14:35:50.648697Z",
"updated_at": "2022-09-04T14:35:50.648707Z",
"structure_string": "Mg6 Al1 Ga1\n1.0\n6.172841 -0.025162 0.000000\n-3.108212 5.333254 0.000000\n0.000000 0.000000 5.131996\nMg Al Ga\n6 1 1\ndirect\n0.165814 0.841956 0.250000 Mg\n0.658043 0.334186 0.250000 Mg\n0.665456 0.834544 0.250000 Mg\n0.334623 0.658324 0.750001 Mg\n0.841676 0.165377 0.750001 Mg\n0.834604 0.665396 0.750001 Mg\n0.161371 0.338629 0.250000 Al\n0.338412 0.161588 0.750001 Ga\n",
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},
{
"id": "jvasp-94301",
"created_at": "2022-09-04T14:35:59.490490Z",
"updated_at": "2022-09-04T14:35:59.490505Z",
"structure_string": "Yb1 Cu4 Ag1\n1.0\n-3.541784 -3.541784 0.000000\n-3.541784 0.000000 -3.541784\n0.000000 -3.541784 -3.541784\nYb Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.873973 0.375342 0.375342 Cu\n0.375342 0.873973 0.375342 Cu\n0.375342 0.375342 0.873973 Cu\n0.375342 0.375342 0.375342 Cu\n0.749999 0.749999 0.749999 Ag\n",
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}
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}