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{
"id": "jvasp-92193",
"created_at": "2022-09-04T14:36:12.014887Z",
"updated_at": "2022-09-04T14:36:12.014912Z",
"structure_string": "Rb1 Y1 Mg6\n1.0\n7.019341 -0.000253 0.000000\n-3.509889 6.078801 0.000000\n0.000000 0.000000 5.339966\nRb Y Mg\n1 1 6\ndirect\n0.416651 0.083349 0.750001 Rb\n0.083334 0.416666 0.250000 Y\n0.049730 0.899867 0.250000 Mg\n0.600132 0.450270 0.250000 Mg\n0.600170 0.899830 0.250000 Mg\n0.414207 0.582159 0.750001 Mg\n0.917841 0.085793 0.750001 Mg\n0.917933 0.582068 0.750001 Mg\n",
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{
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"updated_at": "2022-09-04T14:36:09.764900Z",
"structure_string": "K2 Ba1 Pb1\n1.0\n4.158195 0.000000 0.000000\n-0.000000 5.866564 0.000000\n0.000000 0.000000 7.581774\nK Ba Pb\n2 1 1\ndirect\n0.000000 0.000000 0.789846 K\n0.000000 0.000000 0.210154 K\n0.500001 0.500000 0.500000 Ba\n0.500001 0.500000 0.000000 Pb\n",
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{
"id": "jvasp-105599",
"created_at": "2022-09-04T14:36:31.638172Z",
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"structure_string": "K2 Y1 Ag1 Br6\n1.0\n6.805918 -0.000000 3.929399\n2.268640 6.416681 3.929399\n-0.000000 -0.000000 7.858797\nK Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.029137129742798317,
"volume": 343.20470438484597,
"volume_molar": 20.668270392997318,
"formula_full": "K2 Y1 Ag1 Br6",
"formula_reduced": "K2YAgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-1300",
"created_at": "2022-09-04T14:36:14.997271Z",
"updated_at": "2022-09-04T14:36:14.997301Z",
"structure_string": "Mg1 S1\n1.0\n3.190881 0.000000 1.842256\n1.063627 3.008392 1.842256\n0.000000 0.000000 3.684512\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 S\n",
"nsites": 2,
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"elements": [
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"volume": 35.36918140091593,
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"formula_full": "Mg1 S1",
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"spacegroup": 225
},
{
"id": "jvasp-100522",
"created_at": "2022-09-04T14:36:31.254187Z",
"updated_at": "2022-09-04T14:36:31.254219Z",
"structure_string": "Er3 Mg3 In3\n1.0\n7.447301 0.000000 -0.000000\n-3.723651 6.449551 0.000000\n-0.000000 0.000000 4.621467\nEr Mg In\n3 3 3\ndirect\n0.565627 -0.000000 0.000000 Er\n0.000000 0.565627 0.000000 Er\n0.434373 0.434373 0.000000 Er\n0.242377 -0.000000 0.500000 Mg\n0.000000 0.242377 0.500000 Mg\n0.757623 0.757623 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
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"elements": [
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"density": 6.875833541670471,
"density_atomic": 0.040544716182326336,
"volume": 221.9771365404982,
"volume_molar": 14.853084019429106,
"formula_full": "Er3 Mg3 In3",
"formula_reduced": "ErMgIn",
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"spacegroup": 189
},
{
"id": "jvasp-65592",
"created_at": "2022-09-04T14:36:15.076474Z",
"updated_at": "2022-09-04T14:36:15.076493Z",
"structure_string": "Ba2 Ga1 Pb1\n1.0\n-0.000000 4.198947 4.198947\n4.198947 0.000000 4.198947\n4.198947 4.198947 -0.000000\nBa Ga Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-69111",
"created_at": "2022-09-04T14:36:12.474186Z",
"updated_at": "2022-09-04T14:36:12.474206Z",
"structure_string": "Ba2 Pb1 Br1\n1.0\n-0.000000 4.240894 4.240894\n4.240894 -0.000000 4.240894\n4.240894 4.240894 -0.000000\nBa Pb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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{
"id": "jvasp-74384",
"created_at": "2022-09-04T14:36:15.079271Z",
"updated_at": "2022-09-04T14:36:15.079297Z",
"structure_string": "K2 Be1 Tl1\n1.0\n-2.747954 2.747954 3.881617\n2.747954 -2.747954 3.881617\n2.747954 2.747954 -3.881617\nK Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-99481",
"created_at": "2022-09-04T14:36:15.164701Z",
"updated_at": "2022-09-04T14:36:15.164722Z",
"structure_string": "Rb2 Tl1 Cu1 F6\n1.0\n5.357272 -0.000000 3.093022\n1.785757 5.050884 3.093022\n-0.000000 -0.000000 6.186045\nRb Tl Cu F\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Cu\n0.732492 0.267508 0.267508 F\n0.267508 0.267508 0.732491 F\n0.267509 0.732491 0.732491 F\n0.267509 0.732491 0.267508 F\n0.732492 0.267508 0.732491 F\n0.732492 0.732491 0.267508 F\n",
"nsites": 10,
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"density": 5.48449220411683,
"density_atomic": 0.059741460224207066,
"volume": 167.3879406775536,
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"formula_full": "Rb2 Tl1 Cu1 F6",
"formula_reduced": "Rb2TlCuF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102858",
"created_at": "2022-09-04T14:36:33.080460Z",
"updated_at": "2022-09-04T14:36:33.080482Z",
"structure_string": "K2 Li1 Er1 Cl6\n1.0\n6.224713 -0.000000 3.593840\n2.074904 5.868716 3.593840\n-0.000000 0.000000 7.187679\nK Li Er Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.745848 0.254152 0.254152 Cl\n0.254151 0.254152 0.745849 Cl\n0.254151 0.745849 0.745849 Cl\n0.254151 0.745849 0.254152 Cl\n0.745848 0.254152 0.745849 Cl\n0.745847 0.745849 0.254152 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.03808455633364515,
"volume": 262.57362465755364,
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},
{
"id": "jvasp-64631",
"created_at": "2022-09-04T14:36:09.741195Z",
"updated_at": "2022-09-04T14:36:09.741222Z",
"structure_string": "Ba1 Sr2 Ga1\n1.0\n-0.000000 4.260862 4.260862\n4.260862 0.000000 4.260862\n4.260862 4.260862 -0.000000\nBa Sr Ga\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ga\n",
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},
{
"id": "jvasp-99721",
"created_at": "2022-09-04T14:36:31.216508Z",
"updated_at": "2022-09-04T14:36:31.216538Z",
"structure_string": "Na2 Tl1 Ga1 F6\n1.0\n5.463215 -0.000000 3.154189\n1.821072 5.150770 3.154189\n-0.000000 -0.000000 6.308378\nNa Tl Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.785632 0.214368 0.214368 F\n0.214368 0.214368 0.785632 F\n0.214368 0.785632 0.785632 F\n0.214368 0.785632 0.214368 F\n0.785632 0.214368 0.785632 F\n0.785632 0.785632 0.214368 F\n",
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