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{
"id": "jvasp-109484",
"created_at": "2022-09-04T14:38:19.028322Z",
"updated_at": "2022-09-04T14:38:19.028344Z",
"structure_string": "K1 Na2 As1 F6\n1.0\n5.496889 -0.000000 3.173630\n1.832296 5.182516 3.173630\n-0.000000 -0.000000 6.347260\nK Na As F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.771743 0.228257 0.228257 F\n0.228257 0.228257 0.771743 F\n0.228257 0.771744 0.771742 F\n0.228257 0.771744 0.228256 F\n0.771743 0.228257 0.771743 F\n0.771744 0.771744 0.228256 F\n",
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{
"id": "jvasp-37486",
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{
"id": "jvasp-109275",
"created_at": "2022-09-04T14:38:19.010953Z",
"updated_at": "2022-09-04T14:38:19.010973Z",
"structure_string": "Ga3 Pb1\n1.0\n4.410306 -0.000000 2.546291\n1.470102 4.158076 2.546291\n0.000000 0.000000 5.092582\nGa Pb\n3 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750001 0.749999 Ga\n0.500000 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"volume": 93.38974225069876,
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"formula_full": "Ga3 Pb1",
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"spacegroup": 225
},
{
"id": "jvasp-117801",
"created_at": "2022-09-04T14:38:28.676340Z",
"updated_at": "2022-09-04T14:38:28.676358Z",
"structure_string": "Mg1 In1 Br1\n1.0\n5.519135 0.000000 -0.000000\n-2.759568 4.779711 0.000000\n-0.000000 0.000000 3.370062\nMg In Br\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666666 0.000000 In\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.0337450991462604,
"volume": 88.90179836180619,
"volume_molar": 17.845971451731145,
"formula_full": "Mg1 In1 Br1",
"formula_reduced": "MgInBr",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-109002",
"created_at": "2022-09-04T14:38:15.494202Z",
"updated_at": "2022-09-04T14:38:15.494229Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
"nsites": 10,
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"elements": [
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"density": 4.520527151452409,
"density_atomic": 0.02570350051283409,
"volume": 389.0520668578535,
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"formula_full": "Rb2 Tl2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 225
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{
"id": "jvasp-59034",
"created_at": "2022-09-04T14:38:17.244682Z",
"updated_at": "2022-09-04T14:38:17.244703Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.452711 -0.000000 0.000000\n0.000000 9.151371 0.000000\n0.000000 0.000000 17.763187\nRb Ag Cl\n8 4 12\ndirect\n0.250000 0.928555 0.712618 Rb\n0.750000 0.071445 0.287382 Rb\n0.250000 0.428555 0.787382 Rb\n0.750000 0.571445 0.212618 Rb\n0.750000 0.243569 0.541532 Rb\n0.250000 0.756430 0.458469 Rb\n0.750000 0.743569 0.958469 Rb\n0.250000 0.256430 0.041531 Rb\n0.750000 0.125532 0.867021 Ag\n0.250000 0.874468 0.132980 Ag\n0.750000 0.625532 0.632980 Ag\n0.250000 0.374468 0.367021 Ag\n0.250000 0.993660 0.902262 Cl\n0.750000 0.884039 0.573029 Cl\n0.250000 0.115961 0.426971 Cl\n0.750000 0.384039 0.926971 Cl\n0.250000 0.615961 0.073029 Cl\n0.750000 0.692714 0.775588 Cl\n0.250000 0.307286 0.224412 Cl\n0.750000 0.192714 0.724412 Cl\n0.250000 0.807286 0.275588 Cl\n0.250000 0.493660 0.597739 Cl\n0.750000 0.506340 0.402262 Cl\n0.750000 0.006340 0.097738 Cl\n",
"nsites": 24,
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{
"id": "jvasp-25599",
"created_at": "2022-09-04T14:38:18.976590Z",
"updated_at": "2022-09-04T14:38:18.976603Z",
"structure_string": "Cd2 Au4 F24\n1.0\n6.836310 0.115850 -2.466632\n-2.281453 6.722074 -1.562537\n-0.276287 -0.376261 9.440600\nCd Au F\n2 4 24\ndirect\n0.485290 0.235290 0.250000 Cd\n0.514710 0.764710 0.750000 Cd\n0.394431 0.246939 0.646926 Au\n0.899988 0.252495 0.146926 Au\n0.605569 0.753061 0.353074 Au\n0.100012 0.747504 0.853074 Au\n0.750245 0.576517 0.431387 F\n0.816537 0.212221 0.316198 F\n0.354869 0.681141 0.931387 F\n0.396023 0.500339 0.183802 F\n0.945784 0.472182 0.720299 F\n0.603977 0.499660 0.816198 F\n0.054216 0.527818 0.279701 F\n0.251883 0.225485 0.779701 F\n0.026754 0.714009 0.022616 F\n0.748117 0.774515 0.220299 F\n0.734235 0.969372 0.012949 F\n0.183463 0.787779 0.683802 F\n0.265765 0.030627 -0.012949 F\n0.558946 0.087027 0.736403 F\n0.441053 0.912972 0.263597 F\n0.645131 0.318859 0.068613 F\n0.249754 0.423482 0.568613 F\n-0.026754 0.285991 0.977383 F\n0.191393 0.004138 0.477384 F\n0.543576 0.278714 0.512949 F\n0.149375 0.177456 0.236403 F\n0.850624 0.822543 0.763597 F\n0.456424 0.721285 0.487051 F\n0.808608 -0.004138 0.522617 F\n",
"nsites": 30,
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"volume": 425.662563354192,
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"formula_full": "Cd2 Au4 F24",
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"spacegroup": 15
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{
"id": "jvasp-109030",
"created_at": "2022-09-04T14:38:17.244126Z",
"updated_at": "2022-09-04T14:38:17.244152Z",
"structure_string": "Cd6 Pb2\n1.0\n6.471272 -0.000000 0.000000\n-3.235636 5.604287 0.000000\n-0.000000 -0.000000 5.654897\nCd Pb\n6 2\ndirect\n0.836316 0.163684 0.750000 Cd\n0.327368 0.163684 0.750000 Cd\n0.836316 0.672633 0.750000 Cd\n0.163683 0.836317 0.250000 Cd\n0.672632 0.836317 0.250000 Cd\n0.163684 0.327368 0.250000 Cd\n0.666666 0.333334 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
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},
{
"id": "jvasp-108046",
"created_at": "2022-09-04T14:38:18.993210Z",
"updated_at": "2022-09-04T14:38:18.993234Z",
"structure_string": "Yb2 Cd2 In2\n1.0\n4.909417 0.000000 0.000000\n-2.454710 4.251680 0.000000\n-0.000000 -0.000000 7.491622\nYb Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.259773 Yb\n0.000000 0.000000 0.740227 Yb\n0.333333 0.666667 0.476624 Cd\n0.666667 0.333333 0.523375 Cd\n0.666667 0.333333 0.953069 In\n0.333333 0.666667 0.046931 In\n",
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},
{
"id": "jvasp-109371",
"created_at": "2022-09-04T14:38:18.805922Z",
"updated_at": "2022-09-04T14:38:18.805951Z",
"structure_string": "Pr2 Cd2 In2\n1.0\n4.939034 0.000000 0.000000\n-2.469517 4.277329 0.000000\n-0.000000 -0.000000 7.783786\nPr Cd In\n2 2 2\ndirect\n0.000000 0.000000 0.261184 Pr\n0.000000 0.000000 0.738816 Pr\n0.333333 0.666667 0.476952 Cd\n0.666666 0.333333 0.523049 Cd\n0.666666 0.333333 0.947379 In\n0.333333 0.666667 0.052621 In\n",
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},
{
"id": "jvasp-17997",
"created_at": "2022-09-04T14:38:15.674060Z",
"updated_at": "2022-09-04T14:38:15.674079Z",
"structure_string": "Nd1 In3\n1.0\n4.714749 -0.000000 -0.000000\n0.000000 4.714749 -0.000000\n-0.000000 -0.000000 4.714749\nNd In\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
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{
"id": "jvasp-109005",
"created_at": "2022-09-04T14:38:15.529099Z",
"updated_at": "2022-09-04T14:38:15.529115Z",
"structure_string": "Rb2 Na1 In1 Br6\n1.0\n6.762561 -0.000000 3.904366\n2.254187 6.375804 3.904366\n-0.000000 -0.000000 7.808733\nRb Na In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.756363 0.243637 0.243638 Br\n0.243637 0.243637 0.756363 Br\n0.243638 0.756362 0.756363 Br\n0.243638 0.756362 0.243637 Br\n0.756363 0.243637 0.756363 Br\n0.756363 0.756362 0.243638 Br\n",
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}