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{
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"results": [
{
"id": "jvasp-20618",
"created_at": "2022-09-04T14:38:14.370844Z",
"updated_at": "2022-09-04T14:38:14.370874Z",
"structure_string": "Ba1 Hg1\n1.0\n4.157748 0.000000 0.000000\n0.000000 4.157748 -0.000000\n0.000000 0.000000 4.157748\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
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"formula_full": "Ba1 Hg1",
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{
"id": "jvasp-65688",
"created_at": "2022-09-04T14:36:10.616143Z",
"updated_at": "2022-09-04T14:36:10.616157Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n4.147563 0.000000 0.000000\n-0.000000 4.147563 0.000000\n-0.000000 0.000000 8.354752\nK Ba Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.735980 Hg\n0.000000 0.000000 0.264020 Hg\n",
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{
"id": "jvasp-36396",
"created_at": "2022-09-04T14:36:43.343183Z",
"updated_at": "2022-09-04T14:36:43.343203Z",
"structure_string": "Ca2 Pb1\n1.0\n3.777171 3.777171 -0.000000\n3.777171 -0.000000 -3.777171\n0.000000 3.777171 -3.777171\nCa Pb\n2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.027835005991689477,
"volume": 107.77795416662354,
"volume_molar": 21.63513369387452,
"formula_full": "Ca2 Pb1",
"formula_reduced": "Ca2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0123999999999999,
"spacegroup": 225
},
{
"id": "jvasp-62163",
"created_at": "2022-09-04T14:36:05.475487Z",
"updated_at": "2022-09-04T14:36:05.475506Z",
"structure_string": "Rb14 Nb2 As8\n1.0\n8.550154 0.000000 0.000000\n0.000000 9.541474 0.000000\n0.000000 0.000000 10.565688\nRb Nb As\n14 2 8\ndirect\n0.131343 0.036474 0.000000 Rb\n0.296711 0.832238 0.287686 Rb\n0.796711 0.167761 0.212314 Rb\n0.296711 0.832238 0.712314 Rb\n0.121780 0.465165 0.291509 Rb\n0.621779 0.534835 0.208491 Rb\n0.621779 0.534835 0.791509 Rb\n0.796711 0.167761 0.787686 Rb\n0.840072 0.657700 0.500000 Rb\n0.340072 0.342300 0.000000 Rb\n0.101799 0.090036 0.500000 Rb\n0.601799 0.909964 0.000000 Rb\n0.631343 0.963525 0.500000 Rb\n0.121780 0.465165 0.708491 Rb\n-0.000572 0.677793 0.000000 Nb\n0.499428 0.322206 0.500000 Nb\n0.406401 0.192843 0.300304 As\n0.293116 0.685018 0.000000 As\n0.793115 0.314981 0.500000 As\n0.923357 0.421137 0.000000 As\n0.423358 0.578862 0.500000 As\n0.906400 0.807157 0.800304 As\n0.406401 0.192843 0.699696 As\n0.906400 0.807157 0.199696 As\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"As"
],
"chemical_system": "As-Nb-Rb",
"density": 3.817749546669875,
"density_atomic": 0.02784351443409194,
"volume": 861.9601543767085,
"volume_molar": 21.628522413199452,
"formula_full": "Rb14 Nb2 As8",
"formula_reduced": "Rb7NbAs4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.792940533333333,
"spacegroup": 31
},
{
"id": "jvasp-106781",
"created_at": "2022-09-04T14:36:43.548606Z",
"updated_at": "2022-09-04T14:36:43.548617Z",
"structure_string": "Mg1 In2 Te4\n1.0\n5.763380 0.005225 -5.153633\n-1.149649 5.647555 -5.153633\n-0.004264 -0.005224 7.731524\nMg In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 In\n0.250000 0.750001 0.500001 In\n0.391637 0.838130 0.003156 Te\n0.834975 0.388482 0.996846 Te\n0.611519 0.608364 0.446494 Te\n0.161871 0.165026 0.553508 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"In",
"Te"
],
"chemical_system": "In-Mg-Te",
"density": 5.048805993578256,
"density_atomic": 0.027845208174933665,
"volume": 251.3897528085791,
"volume_molar": 21.627206814783836,
"formula_full": "Mg1 In2 Te4",
"formula_reduced": "Mg(InTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2240085795238094,
"spacegroup": 82
},
{
"id": "jvasp-36964",
"created_at": "2022-09-04T14:38:03.896798Z",
"updated_at": "2022-09-04T14:38:03.896830Z",
"structure_string": "Rb2 Pb2 Br6\n1.0\n0.000000 4.441303 0.003186\n11.329881 0.000000 0.000000\n0.000000 -2.215194 -7.138474\nRb Pb Br\n2 2 6\ndirect\n0.750105 0.009551 0.500204 Rb\n0.249895 0.509551 0.499795 Rb\n0.999987 0.759544 -0.000014 Pb\n0.000012 0.259544 0.000013 Pb\n0.642164 0.707683 0.284354 Br\n0.357835 0.207683 0.715645 Br\n0.642197 0.311382 0.284396 Br\n0.357802 0.811382 0.715603 Br\n0.068663 0.009541 0.137277 Br\n0.931336 0.509541 0.862721 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.92329905311273,
"density_atomic": 0.0278455342517368,
"volume": 359.12401283434787,
"volume_molar": 21.626953555844896,
"formula_full": "Rb2 Pb2 Br6",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-99679",
"created_at": "2022-09-04T14:36:35.119415Z",
"updated_at": "2022-09-04T14:36:35.119436Z",
"structure_string": "K2 Rb1 Dy1 Cl6\n1.0\n6.909239 -0.000000 3.989051\n2.303080 6.514092 3.989051\n-0.000000 -0.000000 7.978101\nK Rb Dy Cl\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 Rb\n0.000000 0.000000 0.000000 Dy\n0.768242 0.231758 0.231758 Cl\n0.231758 0.231758 0.768242 Cl\n0.231758 0.768242 0.768242 Cl\n0.231758 0.768242 0.231758 Cl\n0.768242 0.231758 0.768242 Cl\n0.768243 0.768242 0.231758 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-K-Rb",
"density": 2.492065560550936,
"density_atomic": 0.02784943355725171,
"volume": 359.0737305102603,
"volume_molar": 21.623925483510938,
"formula_full": "K2 Rb1 Dy1 Cl6",
"formula_reduced": "K2RbDyCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-8697",
"created_at": "2022-09-04T14:37:05.657034Z",
"updated_at": "2022-09-04T14:37:05.657046Z",
"structure_string": "Rb4 Br2 O1\n1.0\n5.175028 -0.000000 -1.557487\n-0.468744 5.153755 -1.557487\n0.011949 0.013086 9.415925\nRb Br O\n4 2 1\ndirect\n0.843685 0.843684 0.687366 Rb\n0.156316 0.156316 0.312633 Rb\n0.000000 0.500000 -0.000000 Rb\n0.500000 0.000000 -0.000000 Rb\n0.641692 0.641691 0.283383 Br\n0.358309 0.358309 0.716616 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Rb",
"density": 3.4201504215404097,
"density_atomic": 0.027850560340344777,
"volume": 251.34144212745645,
"volume_molar": 21.62305061875624,
"formula_full": "Rb4 Br2 O1",
"formula_reduced": "Rb4Br2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0022514285714285,
"spacegroup": 139
},
{
"id": "jvasp-65706",
"created_at": "2022-09-04T14:36:14.701549Z",
"updated_at": "2022-09-04T14:36:14.701576Z",
"structure_string": "Ba1 Sr1 In2\n1.0\n5.888512 -0.000000 -0.000000\n-0.000000 5.888512 -0.000000\n-0.000000 -0.000000 4.141433\nBa Sr In\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"Sr",
"In"
],
"chemical_system": "Ba-In-Sr",
"density": 5.256546605351207,
"density_atomic": 0.027854683153452423,
"volume": 143.60242326088795,
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"formula_full": "Ba1 Sr1 In2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-66191",
"created_at": "2022-09-04T14:36:19.399863Z",
"updated_at": "2022-09-04T14:36:19.399889Z",
"structure_string": "Ba2 Fe1 Pb1\n1.0\n-0.000000 4.156304 4.156304\n4.156304 -0.000000 4.156304\n4.156304 4.156304 0.000000\nBa Fe Pb\n2 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.217795225702151,
"density_atomic": 0.027855315393165558,
"volume": 143.5991638774056,
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"formula_full": "Ba2 Fe1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-106463",
"created_at": "2022-09-04T14:36:49.872471Z",
"updated_at": "2022-09-04T14:36:49.872503Z",
"structure_string": "Rb3 Y1 Cl6\n1.0\n6.908673 -0.000000 3.988724\n2.302891 6.513559 3.988724\n-0.000000 -0.000000 7.977448\nRb Y 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 Y\n0.768244 0.231755 0.231755 Cl\n0.231755 0.231755 0.768244 Cl\n0.231755 0.768244 0.768243 Cl\n0.231755 0.768245 0.231755 Cl\n0.768243 0.231755 0.768244 Cl\n0.768243 0.768244 0.231755 Cl\n",
"nsites": 10,
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"elements": [
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"Y",
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],
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"density": 2.5812349340564333,
"density_atomic": 0.027856274246264905,
"volume": 358.98555246816056,
"volume_molar": 21.618615277696282,
"formula_full": "Rb3 Y1 Cl6",
"formula_reduced": "Rb3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85489",
"created_at": "2022-09-04T14:35:51.704920Z",
"updated_at": "2022-09-04T14:35:51.704949Z",
"structure_string": "Ba2 Sb4\n1.0\n4.468351 0.000000 0.000000\n0.000000 5.083877 -1.046946\n0.000000 -0.008019 9.482655\nBa Sb\n2 4\ndirect\n0.250000 0.416817 0.286891 Ba\n0.750000 0.583183 0.713109 Ba\n0.250000 0.043244 0.605380 Sb\n0.750000 0.956756 0.394620 Sb\n0.250000 0.826130 0.021184 Sb\n0.750000 0.173870 0.978816 Sb\n",
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"elements": [
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],
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"volume": 215.37566296230764,
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"formula_full": "Ba2 Sb4",
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"spacegroup": 11
}
]
}