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{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
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{
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"updated_at": "2022-09-04T14:36:38.894977Z",
"structure_string": "Zn2 Pd1 Au1\n1.0\n0.000000 3.125584 3.125584\n3.125584 0.000000 3.125584\n3.125584 3.125584 0.000000\nZn Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499998 0.499998 0.499998 Zn\n0.749999 0.749999 0.749999 Pd\n0.250001 0.250001 0.250001 Au\n",
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{
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"structure_string": "Rb3 Al1 I6\n1.0\n7.485691 -0.000000 4.321866\n2.495231 7.057577 4.321866\n-0.000000 -0.000000 8.643732\nRb Al I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.774466 0.225534 0.225534 I\n0.225534 0.225534 0.774466 I\n0.225534 0.774467 0.774467 I\n0.225534 0.774467 0.225534 I\n0.774466 0.225534 0.774467 I\n0.774466 0.774467 0.225534 I\n",
"nsites": 10,
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"volume": 456.6556277465423,
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"formula_full": "Rb3 Al1 I6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-99962",
"created_at": "2022-09-04T14:36:33.612444Z",
"updated_at": "2022-09-04T14:36:33.612470Z",
"structure_string": "Mg1 Cd1 S2\n1.0\n3.797691 0.000000 0.000000\n0.000000 3.797691 0.000000\n0.000000 0.000000 5.377312\nMg Cd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
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"elements": [
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"volume": 77.55405072713596,
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-94746",
"created_at": "2022-09-04T14:36:11.138551Z",
"updated_at": "2022-09-04T14:36:11.138564Z",
"structure_string": "Mg6 Al1 Cd1\n1.0\n6.239797 -0.022038 0.000000\n-3.138983 5.392803 0.000000\n0.000000 0.000000 5.151614\nMg Al Cd\n6 1 1\ndirect\n0.163858 0.838572 0.250000 Mg\n0.661428 0.336142 0.250000 Mg\n0.665575 0.834424 0.250000 Mg\n0.334747 0.658387 0.749999 Mg\n0.841613 0.165252 0.749999 Mg\n0.834057 0.665943 0.749999 Mg\n0.158443 0.341557 0.250000 Al\n0.340281 0.159719 0.749999 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.7377786903018775,
"density_atomic": 0.04624399945207979,
"volume": 172.99541767121542,
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"spacegroup": 38
},
{
"id": "jvasp-65705",
"created_at": "2022-09-04T14:36:13.712589Z",
"updated_at": "2022-09-04T14:36:13.712610Z",
"structure_string": "Ba1 Y1 Hg2\n1.0\n4.227155 0.000000 0.000000\n0.000000 4.227155 0.000000\n-0.000000 0.000000 7.455483\nBa Y Hg\n1 1 2\ndirect\n0.500001 0.500001 0.795453 Ba\n0.000000 0.000000 0.407125 Y\n0.000000 0.000000 0.009122 Hg\n0.500001 0.500001 0.288300 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.820425389612304,
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"spacegroup": 99
},
{
"id": "jvasp-100095",
"created_at": "2022-09-04T14:36:38.929925Z",
"updated_at": "2022-09-04T14:36:38.929952Z",
"structure_string": "Rb2 Nd1 Cu1 Cl6\n1.0\n6.409200 -0.000000 3.700354\n2.136400 6.042652 3.700354\n0.000000 0.000000 7.400707\nRb Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759191 0.240809 0.240809 Cl\n0.240809 0.240809 0.759191 Cl\n0.240809 0.759190 0.759191 Cl\n0.240809 0.759190 0.240809 Cl\n0.759191 0.240809 0.759190 Cl\n0.759191 0.759190 0.240809 Cl\n",
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"density_atomic": 0.034889551108455624,
"volume": 286.6187635637553,
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"formula_full": "Rb2 Nd1 Cu1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-64496",
"created_at": "2022-09-04T14:36:12.948332Z",
"updated_at": "2022-09-04T14:36:12.948361Z",
"structure_string": "Ba4 Mg1 Cu1\n1.0\n-0.000000 5.107614 5.107614\n5.107614 -0.000000 5.107614\n5.107614 5.107614 -0.000000\nBa Mg Cu\n4 1 1\ndirect\n0.126142 0.624619 0.624619 Ba\n0.624619 0.624619 0.624619 Ba\n0.624619 0.126142 0.624619 Ba\n0.624619 0.624619 0.126142 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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],
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"volume": 266.49201569649034,
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"formula_full": "Ba4 Mg1 Cu1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-69315",
"created_at": "2022-09-04T14:36:20.661403Z",
"updated_at": "2022-09-04T14:36:20.661434Z",
"structure_string": "Ba1 Cu1 Cl2\n1.0\n4.257683 0.000000 0.000000\n0.000000 4.263983 0.000000\n0.000000 0.000000 5.975445\nBa Cu Cl\n1 1 2\ndirect\n0.500000 0.500000 0.799926 Ba\n0.000000 0.000000 0.408753 Cu\n0.000000 0.000000 0.982306 Cl\n0.500000 0.500000 0.309017 Cl\n",
"nsites": 4,
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},
{
"id": "jvasp-69040",
"created_at": "2022-09-04T14:36:18.577842Z",
"updated_at": "2022-09-04T14:36:18.577864Z",
"structure_string": "Ba2 Mg1 Te1\n1.0\n0.000000 4.252888 4.252888\n4.252888 0.000000 4.252888\n4.252888 4.252888 -0.000000\nBa Mg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n",
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},
{
"id": "jvasp-99732",
"created_at": "2022-09-04T14:36:33.552485Z",
"updated_at": "2022-09-04T14:36:33.552511Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.610067 0.000000 0.000000\n0.000000 6.610067 -0.000000\n-0.000000 0.000000 6.610067\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249093 0.249093 0.249093 Te\n0.750908 0.750908 0.249093 Te\n0.249093 0.750908 0.750908 Te\n0.750908 0.249093 0.750908 Te\n",
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},
{
"id": "jvasp-102944",
"created_at": "2022-09-04T14:36:33.488041Z",
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"structure_string": "In2 Hg6\n1.0\n6.677200 -0.000054 -0.000000\n-3.338646 5.782598 0.000000\n0.000000 0.000000 5.552941\nIn Hg\n2 6\ndirect\n0.333329 0.666668 0.750000 In\n0.666668 0.333330 0.250000 In\n0.165978 0.331947 0.250000 Hg\n0.668076 0.834031 0.250000 Hg\n0.165985 0.834029 0.250000 Hg\n0.834031 0.668077 0.750000 Hg\n0.331947 0.165979 0.750000 Hg\n0.834029 0.165986 0.750000 Hg\n",
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}