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{
"id": "jvasp-115699",
"created_at": "2022-09-04T14:38:45.665410Z",
"updated_at": "2022-09-04T14:38:45.665438Z",
"structure_string": "Li1 Mg1 Br1\n1.0\n-1.735011 1.735011 6.231188\n1.735011 -1.735011 6.231188\n1.735011 1.735011 -6.231188\nLi Mg Br\n1 1 1\ndirect\n0.709285 0.709285 0.000000 Li\n0.018694 0.018694 0.000000 Mg\n0.272022 0.272022 0.000000 Br\n",
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{
"id": "jvasp-114707",
"created_at": "2022-09-04T14:38:42.355013Z",
"updated_at": "2022-09-04T14:38:42.355045Z",
"structure_string": "Ca1 Cd1 O1\n1.0\n4.210691 0.000000 0.000000\n0.000000 4.210691 0.000000\n0.000000 0.000000 7.094899\nCa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.272300 Ca\n0.000000 0.000000 0.708942 Cd\n0.000000 0.000000 -0.000851 O\n",
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{
"id": "jvasp-106352",
"created_at": "2022-09-04T14:38:41.299192Z",
"updated_at": "2022-09-04T14:38:41.299228Z",
"structure_string": "Mg1 Cd1 Au2\n1.0\n3.333941 0.000000 0.000000\n0.000000 3.333941 0.000000\n-0.000000 0.000000 6.688734\nMg Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.730030 Au\n0.000000 0.000000 0.269969 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Cd-Mg",
"density": 11.852141165903264,
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"volume": 74.34636594116706,
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"formula_full": "Mg1 Cd1 Au2",
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},
{
"id": "jvasp-111234",
"created_at": "2022-09-04T14:38:46.093671Z",
"updated_at": "2022-09-04T14:38:46.093712Z",
"structure_string": "Rb2 Tl1 As1 Br6\n1.0\n6.986085 -0.000000 4.033418\n2.328695 6.586545 4.033418\n-0.000000 -0.000000 8.066837\nRb Tl As Br\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.766642 0.233358 0.233359 Br\n0.233359 0.233358 0.766642 Br\n0.233360 0.766641 0.766642 Br\n0.233360 0.766641 0.233359 Br\n0.766642 0.233358 0.766642 Br\n0.766643 0.766641 0.233359 Br\n",
"nsites": 10,
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"elements": [
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"Tl",
"As",
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],
"chemical_system": "As-Br-Rb-Tl",
"density": 4.158919694153481,
"density_atomic": 0.026940471338190972,
"volume": 371.1887544381579,
"volume_molar": 22.35350927755662,
"formula_full": "Rb2 Tl1 As1 Br6",
"formula_reduced": "Rb2TlAsBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-116313",
"created_at": "2022-09-04T14:38:41.266518Z",
"updated_at": "2022-09-04T14:38:41.266556Z",
"structure_string": "Mg2 Cl1\n1.0\n3.271829 0.000000 -1.217251\n0.000000 3.480595 0.000000\n-0.774880 0.000000 7.466535\nMg Cl\n2 1\ndirect\n-0.176919 0.000000 -0.175611 Mg\n-0.012889 0.000000 0.476260 Mg\n0.589808 0.000000 0.099351 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cl-Mg",
"density": 1.7076206242953231,
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"volume": 81.74526213233094,
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"formula_full": "Mg2 Cl1",
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"spacegroup": 6
},
{
"id": "jvasp-115714",
"created_at": "2022-09-04T14:38:45.688868Z",
"updated_at": "2022-09-04T14:38:45.688896Z",
"structure_string": "Rb2 Pd1 Br1\n1.0\n-1.940812 6.080070 5.438819\n1.940812 -6.080070 5.438819\n1.940812 6.080070 -5.438819\nRb Pd Br\n2 1 1\ndirect\n0.253588 0.000000 0.253588 Rb\n0.746412 0.000000 0.746412 Rb\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.3108744965951966,
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"volume": 256.71819200565164,
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"formula_full": "Rb2 Pd1 Br1",
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},
{
"id": "jvasp-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
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"volume": 160.58637211751153,
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"formula_full": "Ba2 Al1 Ga3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-117594",
"created_at": "2022-09-04T14:38:46.336904Z",
"updated_at": "2022-09-04T14:38:46.336926Z",
"structure_string": "Ba1 Pb1 F2\n1.0\n3.735873 0.000000 0.000000\n-0.000000 3.735873 -0.000000\n-0.000000 0.000000 7.253023\nBa Pb F\n1 1 2\ndirect\n0.500000 0.500000 0.475954 Ba\n0.000000 0.000000 0.921285 Pb\n0.000000 0.000000 0.465485 F\n0.500000 0.500000 0.147275 F\n",
"nsites": 4,
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"density": 6.274863795893023,
"density_atomic": 0.03951452161619445,
"volume": 101.2286075193343,
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"spacegroup": 99
},
{
"id": "jvasp-115538",
"created_at": "2022-09-04T14:38:47.466419Z",
"updated_at": "2022-09-04T14:38:47.466452Z",
"structure_string": "Ba1 Ge1 Br2\n1.0\n4.094522 -0.000000 -0.000000\n0.000000 4.094522 0.000000\n0.000000 0.000000 7.872170\nBa Ge Br\n1 1 2\ndirect\n0.499999 0.499999 0.614787 Ba\n0.000000 0.000000 0.955173 Ge\n0.000000 0.000000 0.413093 Br\n0.499999 0.499999 0.026948 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Br-Ge",
"density": 4.652493351561745,
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"volume": 131.9777992043555,
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"formula_full": "Ba1 Ge1 Br2",
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},
{
"id": "jvasp-110711",
"created_at": "2022-09-04T14:38:48.450036Z",
"updated_at": "2022-09-04T14:38:48.450063Z",
"structure_string": "Rb2 Tl2 I6\n1.0\n7.570462 -0.000000 4.370808\n2.523487 7.137500 4.370808\n-0.000000 -0.000000 8.741617\nRb Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.750012 0.249988 0.249988 I\n0.249988 0.249988 0.750013 I\n0.249988 0.750012 0.750013 I\n0.249988 0.750012 0.249988 I\n0.750012 0.249988 0.750013 I\n0.750012 0.750012 0.249988 I\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.02117091947287777,
"volume": 472.34604112547294,
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"formula_full": "Rb2 Tl2 I6",
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"spacegroup": 221
},
{
"id": "jvasp-111235",
"created_at": "2022-09-04T14:38:46.180705Z",
"updated_at": "2022-09-04T14:38:46.180735Z",
"structure_string": "Rb3 In1 Cl6\n1.0\n6.777607 -0.000000 3.913053\n2.259202 6.389989 3.913053\n-0.000000 -0.000000 7.826107\nRb In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.771820 0.228180 0.228179 Cl\n0.228180 0.228180 0.771820 Cl\n0.228180 0.771820 0.771820 Cl\n0.228180 0.771820 0.228180 Cl\n0.771820 0.228180 0.771820 Cl\n0.771820 0.771820 0.228179 Cl\n",
"nsites": 10,
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"density": 2.8608468032885703,
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"volume": 338.9395703091607,
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"formula_full": "Rb3 In1 Cl6",
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{
"id": "jvasp-117764",
"created_at": "2022-09-04T14:38:47.698552Z",
"updated_at": "2022-09-04T14:38:47.698571Z",
"structure_string": "Rb1 Ca1 Br2\n1.0\n4.298747 0.000000 -0.000000\n0.000000 4.298747 -0.000000\n-0.000000 0.000000 8.276706\nRb Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.559362 Rb\n0.000000 -0.000000 0.032771 Ca\n0.000000 -0.000000 0.373024 Br\n0.500000 0.500000 0.044843 Br\n",
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}
]
}