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{
"id": "jvasp-94850",
"created_at": "2022-09-04T14:36:18.062013Z",
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"structure_string": "Na5 Sn2\n1.0\n-2.707327 -4.689229 0.000000\n2.707327 -4.689229 0.000000\n-0.000000 -3.126152 7.487023\nNa Sn\n5 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.356082 0.356082 0.931755 Na\n0.643918 0.643918 0.068245 Na\n0.213652 0.213652 0.359044 Na\n0.786348 0.786348 0.640956 Na\n0.067688 0.067688 0.796936 Sn\n0.932312 0.932312 0.203063 Sn\n",
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{
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"structure_string": "Ba1 Ca2 Sn1\n1.0\n4.248662 0.000000 0.000000\n0.000000 4.248662 -0.000000\n0.000000 -0.000000 8.596681\nBa Ca Sn\n1 2 1\ndirect\n0.500000 0.500000 0.704606 Ba\n0.000000 0.000000 0.045948 Ca\n0.500000 0.500000 0.297091 Ca\n0.000000 0.000000 0.452355 Sn\n",
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{
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"structure_string": "Li2 Ca6\n1.0\n7.426781 -0.000000 0.000000\n-3.713390 6.431781 0.000000\n-0.000000 -0.000000 6.060517\nLi Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.168341 0.336683 0.250000 Ca\n0.663317 0.831658 0.250000 Ca\n0.168341 0.831658 0.250000 Ca\n0.831658 0.663317 0.750000 Ca\n0.336683 0.168341 0.750000 Ca\n0.831658 0.168341 0.750000 Ca\n",
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{
"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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"elements": [
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"density": 4.314833340087135,
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"formula_full": "Ge8 Br16",
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"spacegroup": 166
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{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.02219186768403066,
"volume": 135.18465605122591,
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{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
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"elements": [
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"Ga",
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"volume": 674.614444550487,
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{
"id": "jvasp-66549",
"created_at": "2022-09-04T14:36:10.911273Z",
"updated_at": "2022-09-04T14:36:10.911302Z",
"structure_string": "Ba1 Mg1 Tl1\n1.0\n0.000000 3.985469 3.985469\n3.985469 -0.000000 3.985469\n3.985469 3.985469 0.000000\nBa Mg Tl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
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"density_atomic": 0.023694794842276767,
"volume": 126.61008546262384,
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"formula_full": "Ba1 Mg1 Tl1",
"formula_reduced": "BaMgTl",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-100077",
"created_at": "2022-09-04T14:36:35.758023Z",
"updated_at": "2022-09-04T14:36:35.758053Z",
"structure_string": "K3 Sb1 I6\n1.0\n7.655425 0.000000 4.419862\n2.551808 7.217603 4.419862\n-0.000000 -0.000000 8.839723\nK Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sb\n0.759845 0.240155 0.240155 I\n0.240155 0.240155 0.759845 I\n0.240155 0.759845 0.759845 I\n0.240155 0.759845 0.240155 I\n0.759845 0.240155 0.759845 I\n0.759845 0.759845 0.240155 I\n",
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"density": 3.401396831622877,
"density_atomic": 0.02047382785537522,
"volume": 488.42844975736136,
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"formula_full": "K3 Sb1 I6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
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{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T14:35:56.201486Z",
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"structure_string": "Ba1 Se1 Br1\n1.0\n-0.000000 3.853697 3.853697\n3.853697 0.000000 3.853697\n3.853697 3.853697 0.000000\nBa Se Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Cd2 Ag1 Rh1\n1.0\n-0.000002 3.287063 3.287065\n3.287065 -0.000003 3.287067\n3.287066 3.287066 -0.000004\nCd Ag Rh\n2 1 1\ndirect\n0.500000 0.500001 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250001 0.250000 Ag\n0.750000 0.750002 0.750000 Rh\n",
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