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{
"id": "jvasp-12975",
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{
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"structure_string": "Ba4 Sb1 Br1\n1.0\n-0.000000 4.988039 4.988039\n4.988039 0.000000 4.988039\n4.988039 4.988039 0.000000\nBa Sb Br\n4 1 1\ndirect\n0.121853 0.626049 0.626049 Ba\n0.626049 0.626049 0.626049 Ba\n0.626049 0.121853 0.626049 Ba\n0.626049 0.626049 0.121853 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Br\n",
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{
"id": "jvasp-64532",
"created_at": "2022-09-04T14:38:07.068433Z",
"updated_at": "2022-09-04T14:38:07.068455Z",
"structure_string": "Ba4 Sb1 Cl1\n1.0\n0.000000 4.966721 4.966721\n4.966721 -0.000000 4.966721\n4.966721 4.966721 0.000000\nBa Sb Cl\n4 1 1\ndirect\n0.121895 0.626035 0.626035 Ba\n0.626035 0.626035 0.626035 Ba\n0.626035 0.121895 0.626035 Ba\n0.626035 0.626035 0.121895 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
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"elements": [
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"density": 4.787787678569493,
"density_atomic": 0.024485668230076477,
"volume": 245.041301042788,
"volume_molar": 24.594553448220072,
"formula_full": "Ba4 Sb1 Cl1",
"formula_reduced": "Ba4SbCl",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66256",
"created_at": "2022-09-04T14:35:55.840285Z",
"updated_at": "2022-09-04T14:35:55.840307Z",
"structure_string": "Ba4 Sb1 Ir1\n1.0\n-0.000000 4.770982 4.770982\n4.770982 0.000000 4.770982\n4.770982 4.770982 -0.000000\nBa Sb Ir\n4 1 1\ndirect\n0.126092 0.624636 0.624636 Ba\n0.624636 0.624636 0.624636 Ba\n0.624636 0.126092 0.624636 Ba\n0.624636 0.624636 0.126092 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Ir-Sb",
"density": 6.600091593317921,
"density_atomic": 0.027624722276598436,
"volume": 217.1967536876468,
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"formula_full": "Ba4 Sb1 Ir1",
"formula_reduced": "Ba4SbIr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66287",
"created_at": "2022-09-04T14:35:45.332025Z",
"updated_at": "2022-09-04T14:35:45.332052Z",
"structure_string": "Ba4 Sb1 Mo1\n1.0\n0.000000 4.945165 4.945165\n4.945165 0.000000 4.945165\n4.945165 4.945165 -0.000000\nBa Sb Mo\n4 1 1\ndirect\n0.123178 0.625607 0.625607 Ba\n0.625607 0.625607 0.625607 Ba\n0.625607 0.123178 0.625607 Ba\n0.625607 0.625607 0.123178 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"elements": [
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"volume": 241.86462655252475,
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"formula_full": "Ba4 Sb1 Mo1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66279",
"created_at": "2022-09-04T14:36:18.448600Z",
"updated_at": "2022-09-04T14:36:18.448627Z",
"structure_string": "Ba4 Sb1 Os1\n1.0\n-0.000000 4.786833 4.786833\n4.786833 0.000000 4.786833\n4.786833 4.786833 -0.000000\nBa Sb Os\n4 1 1\ndirect\n0.125885 0.624705 0.624705 Ba\n0.624705 0.624705 0.624705 Ba\n0.624705 0.125885 0.624705 Ba\n0.624705 0.624705 0.125885 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Os\n",
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"volume": 219.36878240728052,
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"formula_full": "Ba4 Sb1 Os1",
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"spacegroup": 216
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{
"id": "jvasp-66319",
"created_at": "2022-09-04T14:36:17.868363Z",
"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
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"elements": [
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"Sb",
"P"
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"density_atomic": 0.026468967594115145,
"volume": 226.68054500674904,
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"formula_full": "Ba4 Sb1 P1",
"formula_reduced": "Ba4SbP",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64275",
"created_at": "2022-09-04T14:36:00.386368Z",
"updated_at": "2022-09-04T14:36:00.386396Z",
"structure_string": "Ba4 Sb1 Pb1\n1.0\n0.000000 4.973956 4.973956\n4.973956 0.000000 4.973956\n4.973956 4.973956 0.000000\nBa Sb Pb\n4 1 1\ndirect\n0.123087 0.625638 0.625638 Ba\n0.625638 0.625638 0.625638 Ba\n0.625638 0.123087 0.625638 Ba\n0.625638 0.625638 0.123087 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pb"
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"density": 5.925709319448013,
"density_atomic": 0.024378974734517396,
"volume": 246.11371336731384,
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"formula_full": "Ba4 Sb1 Pb1",
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"spacegroup": 216
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{
"id": "jvasp-66353",
"created_at": "2022-09-04T14:36:11.327128Z",
"updated_at": "2022-09-04T14:36:11.327147Z",
"structure_string": "Ba4 Sb1 Pd1\n1.0\n0.000000 4.868960 4.868960\n4.868960 0.000000 4.868960\n4.868960 4.868960 0.000000\nBa Sb Pd\n4 1 1\ndirect\n0.124161 0.625280 0.625280 Ba\n0.625280 0.625280 0.625280 Ba\n0.625280 0.124161 0.625280 Ba\n0.625280 0.625280 0.124161 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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"elements": [
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"Sb",
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"volume": 230.85464414610234,
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"formula_full": "Ba4 Sb1 Pd1",
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{
"id": "jvasp-66589",
"created_at": "2022-09-04T14:36:10.936886Z",
"updated_at": "2022-09-04T14:36:10.936907Z",
"structure_string": "Ba4 Sb1 Pt1\n1.0\n0.000000 4.820849 4.820849\n4.820849 0.000000 4.820849\n4.820849 4.820849 -0.000000\nBa Sb Pt\n4 1 1\ndirect\n0.125484 0.624838 0.624838 Ba\n0.624838 0.624838 0.624838 Ba\n0.624838 0.125484 0.624838 Ba\n0.624838 0.624838 0.125484 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ba4 Sb1 Pt1",
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{
"id": "jvasp-66268",
"created_at": "2022-09-04T14:36:08.094683Z",
"updated_at": "2022-09-04T14:36:08.094711Z",
"structure_string": "Ba4 Sb1 Rh1\n1.0\n0.000000 4.810172 4.810172\n4.810172 0.000000 4.810172\n4.810172 4.810172 0.000000\nBa Sb Rh\n4 1 1\ndirect\n0.125146 0.624951 0.624951 Ba\n0.624951 0.624951 0.624951 Ba\n0.624951 0.125146 0.624951 Ba\n0.624951 0.624951 0.125146 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Rh\n",
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"volume": 222.5931593090044,
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"formula_full": "Ba4 Sb1 Rh1",
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{
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"created_at": "2022-09-04T14:36:08.371675Z",
"updated_at": "2022-09-04T14:36:08.371696Z",
"structure_string": "Ba4 Sb1 Ru1\n1.0\n0.000000 4.828731 4.828731\n4.828731 -0.000000 4.828731\n4.828731 4.828731 -0.000000\nBa Sb Ru\n4 1 1\ndirect\n0.124835 0.625055 0.625055 Ba\n0.625055 0.625055 0.625055 Ba\n0.625055 0.124835 0.625055 Ba\n0.625055 0.625055 0.124835 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ru\n",
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