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{
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{
"id": "jvasp-66126",
"created_at": "2022-09-04T14:35:42.943620Z",
"updated_at": "2022-09-04T14:35:42.943658Z",
"structure_string": "Ba1 Ca1 Hg1\n1.0\n-0.000000 3.935268 3.935268\n3.935268 0.000000 3.935268\n3.935268 3.935268 0.000000\nBa Ca Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-69196",
"created_at": "2022-09-04T14:36:12.266740Z",
"updated_at": "2022-09-04T14:36:12.266767Z",
"structure_string": "K1 Ba2 Ni1\n1.0\n0.000000 4.180299 4.180299\n4.180299 0.000000 4.180299\n4.180299 4.180299 -0.000000\nK Ba Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ni\n",
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{
"id": "jvasp-98223",
"created_at": "2022-09-04T14:36:08.638299Z",
"updated_at": "2022-09-04T14:36:08.638327Z",
"structure_string": "Hg4 P2 Cl4\n1.0\n5.609505 -0.031704 2.020616\n-0.198053 5.606097 2.020616\n-0.023776 -0.024492 7.781881\nHg P Cl\n4 2 4\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.287446 0.287447 0.430060 Hg\n0.712553 0.712554 0.569941 Hg\n0.359627 0.359627 0.086705 P\n0.640372 0.640374 0.913296 P\n0.273115 0.726886 0.500000 Cl\n0.726884 0.273116 0.500000 Cl\n0.894631 0.894632 0.216915 Cl\n0.105368 0.105369 0.783086 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.81280364655865,
"density_atomic": 0.04077811986083252,
"volume": 245.22955040909142,
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"formula_full": "Hg4 P2 Cl4",
"formula_reduced": "Hg2PCl2",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-22732",
"created_at": "2022-09-04T14:36:12.049666Z",
"updated_at": "2022-09-04T14:36:12.049691Z",
"structure_string": "Cs1 K2 Bi1\n1.0\n-0.000000 4.369830 4.369830\n4.369830 0.000000 4.369830\n4.369830 4.369830 -0.000000\nCs K Bi\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.250001 0.250001 0.250001 Bi\n",
"nsites": 4,
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"elements": [
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"K",
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],
"chemical_system": "Bi-Cs-K",
"density": 4.179843450571394,
"density_atomic": 0.023968252431354472,
"volume": 166.88742791974823,
"volume_molar": 25.12548955017695,
"formula_full": "Cs1 K2 Bi1",
"formula_reduced": "CsK2Bi",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-105668",
"created_at": "2022-09-04T14:35:42.695671Z",
"updated_at": "2022-09-04T14:35:42.695694Z",
"structure_string": "Rb2 Cu1 Sb1 Cl6\n1.0\n6.312934 -0.000000 3.644774\n2.104312 5.951891 3.644774\n-0.000000 -0.000000 7.289548\nRb Cu Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741346 0.258654 0.258654 Cl\n0.258654 0.258654 0.741346 Cl\n0.258653 0.741346 0.741346 Cl\n0.258653 0.741346 0.258653 Cl\n0.741346 0.258654 0.741346 Cl\n0.741346 0.741346 0.258653 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cu-Rb-Sb",
"density": 3.4494011910142963,
"density_atomic": 0.03651011340203833,
"volume": 273.8967115736679,
"volume_molar": 16.494445507977492,
"formula_full": "Rb2 Cu1 Sb1 Cl6",
"formula_reduced": "Rb2CuSbCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-71266",
"created_at": "2022-09-04T14:36:09.923245Z",
"updated_at": "2022-09-04T14:36:09.923263Z",
"structure_string": "Na2 Be1 Hg1\n1.0\n3.397199 0.000000 0.000000\n0.000000 3.397199 -0.000000\n-0.000000 0.000000 8.358065\nNa Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.945488 Na\n0.500000 0.500000 0.301004 Na\n0.000000 0.000000 0.589193 Be\n0.500000 0.500000 0.664314 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.399782089591882,
"density_atomic": 0.04146792189668439,
"volume": 96.46010258160112,
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},
{
"id": "jvasp-105687",
"created_at": "2022-09-04T14:35:56.429241Z",
"updated_at": "2022-09-04T14:35:56.429262Z",
"structure_string": "Rb3 In1 Br6\n1.0\n7.138301 0.000000 4.121300\n2.379433 6.730055 4.121300\n0.000000 0.000000 8.242600\nRb In Br\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.770014 0.229985 0.229986 Br\n0.229986 0.229985 0.770015 Br\n0.229985 0.770014 0.770015 Br\n0.229985 0.770014 0.229986 Br\n0.770014 0.229985 0.770015 Br\n0.770014 0.770014 0.229986 Br\n",
"nsites": 10,
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"elements": [
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"In",
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],
"chemical_system": "Br-In-Rb",
"density": 3.5671384047968875,
"density_atomic": 0.02525354230036673,
"volume": 395.9840517048882,
"volume_molar": 23.846716980819544,
"formula_full": "Rb3 In1 Br6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-64262",
"created_at": "2022-09-04T14:35:51.931977Z",
"updated_at": "2022-09-04T14:35:51.932004Z",
"structure_string": "Ba4 Tl1 Cu1\n1.0\n-0.000000 5.095941 5.095941\n5.095941 0.000000 5.095941\n5.095941 5.095941 -0.000000\nBa Tl Cu\n4 1 1\ndirect\n0.124424 0.625192 0.625192 Ba\n0.625192 0.625192 0.625192 Ba\n0.625192 0.124424 0.625192 Ba\n0.625192 0.625192 0.124424 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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"Tl",
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],
"chemical_system": "Ba-Cu-Tl",
"density": 5.127363513520181,
"density_atomic": 0.022669820491632506,
"volume": 264.66905647597065,
"volume_molar": 26.564571881911412,
"formula_full": "Ba4 Tl1 Cu1",
"formula_reduced": "Ba4TlCu",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64056",
"created_at": "2022-09-04T14:35:53.435865Z",
"updated_at": "2022-09-04T14:35:53.435889Z",
"structure_string": "Ba1 Na1 Cd1\n1.0\n0.000000 4.091036 4.091036\n4.091036 0.000000 4.091036\n4.091036 4.091036 0.000000\nBa Na Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.3071093755848957,
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"volume": 136.9398662105077,
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"formula_full": "Ba1 Na1 Cd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-65670",
"created_at": "2022-09-04T14:36:21.865158Z",
"updated_at": "2022-09-04T14:36:21.865182Z",
"structure_string": "Ba2 Ga1 Se1\n1.0\n0.000000 4.045055 4.045055\n4.045055 0.000000 4.045055\n4.045055 4.045055 0.000000\nBa Ga Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Se\n",
"nsites": 4,
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],
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"formula_full": "Ba2 Ga1 Se1",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-19873",
"created_at": "2022-09-04T14:35:47.584073Z",
"updated_at": "2022-09-04T14:35:47.584103Z",
"structure_string": "Ba2 Sn2\n1.0\n4.705200 0.000000 0.000000\n0.000000 4.908254 -2.087532\n0.000000 0.020312 6.861727\nBa Sn\n2 2\ndirect\n0.250000 0.864317 0.728638 Ba\n0.750000 0.135682 0.271363 Ba\n0.250000 0.574414 0.148830 Sn\n0.750000 0.425584 0.851170 Sn\n",
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"volume": 158.66640624472956,
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},
{
"id": "jvasp-13017",
"created_at": "2022-09-04T14:37:03.774211Z",
"updated_at": "2022-09-04T14:37:03.774221Z",
"structure_string": "Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n",
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}