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{
"id": "jvasp-101378",
"created_at": "2022-09-04T14:36:42.491687Z",
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{
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"structure_string": "Ba4 Cd1 Hg1\n1.0\n-0.000000 5.075244 5.075244\n5.075244 0.000000 5.075244\n5.075244 5.075244 0.000000\nBa Cd Hg\n4 1 1\ndirect\n0.124623 0.625126 0.625126 Ba\n0.625126 0.625126 0.625126 Ba\n0.625126 0.124623 0.625126 Ba\n0.625126 0.625126 0.124623 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:10.040882Z",
"updated_at": "2022-09-04T14:36:10.040906Z",
"structure_string": "K1 Mg6 V1\n1.0\n6.534310 0.000333 0.000000\n-3.266868 5.659044 0.000000\n0.000000 0.000000 5.233848\nK Mg V\n1 6 1\ndirect\n0.416681 0.083319 0.750000 K\n0.066454 0.908211 0.250000 Mg\n0.591788 0.433544 0.250000 Mg\n0.591805 0.908193 0.250000 Mg\n0.398564 0.574276 0.750000 Mg\n0.925723 0.101435 0.750000 Mg\n0.925659 0.574340 0.750000 Mg\n0.083322 0.416677 0.250000 V\n",
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"formula_full": "K1 Mg6 V1",
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{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
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"elements": [
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"formula_full": "Sr8 Cl12 O2",
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{
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"created_at": "2022-09-04T14:35:43.978087Z",
"updated_at": "2022-09-04T14:35:43.978111Z",
"structure_string": "Ba4 Mg1 In1\n1.0\n0.000000 5.125451 5.125451\n5.125451 -0.000000 5.125451\n5.125451 5.125451 -0.000000\nBa Mg In\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
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{
"id": "jvasp-107183",
"created_at": "2022-09-04T14:36:48.838099Z",
"updated_at": "2022-09-04T14:36:48.838130Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n4.149285 -0.000000 2.395591\n1.383095 3.911983 2.395591\n0.000000 0.000000 4.791181\nLi Tl Cd\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Li\n0.749998 0.749999 0.750001 Li\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 Cd\n",
"nsites": 4,
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{
"id": "jvasp-102074",
"created_at": "2022-09-04T14:36:43.144181Z",
"updated_at": "2022-09-04T14:36:43.144204Z",
"structure_string": "Rb2 Hg1 Sb1 Cl6\n1.0\n6.685230 -0.000000 3.859719\n2.228410 6.302894 3.859719\n0.000000 0.000000 7.719438\nRb Hg Sb Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.758444 0.241556 0.241557 Cl\n0.241556 0.241556 0.758444 Cl\n0.241557 0.758443 0.758444 Cl\n0.241557 0.758443 0.241557 Cl\n0.758444 0.241556 0.758444 Cl\n0.758444 0.758443 0.241557 Cl\n",
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"formula_full": "Rb2 Hg1 Sb1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-71071",
"created_at": "2022-09-04T14:35:54.646943Z",
"updated_at": "2022-09-04T14:35:54.646956Z",
"structure_string": "Mg1 Be1 Zn2\n1.0\n2.848777 0.000000 -0.000000\n0.000000 2.848777 0.000000\n0.000000 0.000000 7.249615\nMg Be Zn\n1 1 2\ndirect\n0.500001 0.500001 0.724602 Mg\n0.000000 0.000000 0.471022 Be\n0.000000 0.000000 0.018630 Zn\n0.500001 0.500001 0.285746 Zn\n",
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},
{
"id": "jvasp-53094",
"created_at": "2022-09-04T14:36:06.202842Z",
"updated_at": "2022-09-04T14:36:06.202863Z",
"structure_string": "Cd3 As1 I3\n1.0\n0.000000 7.427256 -0.021753\n4.575404 0.000000 0.000000\n0.000000 -0.097946 -7.746333\nCd As I\n3 1 3\ndirect\n0.396769 0.500000 0.864201 Cd\n0.958054 0.000000 0.685427 Cd\n0.921914 0.500000 0.117869 Cd\n0.052620 0.500000 0.811726 As\n0.073514 0.000000 0.317539 I\n0.553488 0.000000 0.668455 I\n0.551640 0.500000 0.201449 I\n",
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{
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"structure_string": "Sc2 F6\n1.0\n4.815510 0.123325 2.953807\n1.713681 4.501960 2.953806\n0.174089 0.123325 5.646575\nSc F\n2 6\ndirect\n0.500000 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Sc\n0.642806 0.250002 0.857195 F\n0.250000 0.857195 0.642807 F\n0.857193 0.642807 0.250001 F\n0.357194 0.750001 0.142807 F\n0.750000 0.142807 0.357194 F\n0.142806 0.357195 0.750001 F\n",
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{
"id": "jvasp-64393",
"created_at": "2022-09-04T14:36:02.450628Z",
"updated_at": "2022-09-04T14:36:02.450663Z",
"structure_string": "Ba1 Na1 In1\n1.0\n-0.000000 4.062557 4.062557\n4.062557 0.000000 4.062557\n4.062557 4.062557 0.000000\nBa Na In\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n",
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{
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"created_at": "2022-09-04T14:37:42.597731Z",
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"structure_string": "Pr1 Cd1 Hg2\n1.0\n0.000000 3.677682 3.677682\n3.677682 -0.000000 3.677682\n3.677682 3.677682 0.000000\nPr Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250001 0.250001 0.250001 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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