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{
"id": "jvasp-60927",
"created_at": "2022-09-04T14:36:05.100381Z",
"updated_at": "2022-09-04T14:36:05.100409Z",
"structure_string": "K12 As4 Se16\n1.0\n9.382438 0.000000 0.000000\n0.000000 9.847314 0.000000\n0.000000 0.000000 10.943059\nK As Se\n12 4 16\ndirect\n0.858380 0.086411 0.750000 K\n0.641621 0.586411 0.250000 K\n0.141621 0.913589 0.250000 K\n0.358380 0.413589 0.750000 K\n0.933356 0.307701 0.454615 K\n0.566644 0.807701 0.545385 K\n0.066644 0.692299 0.954615 K\n0.433356 0.192299 0.045385 K\n0.066644 0.692299 0.545385 K\n0.433356 0.192299 0.454615 K\n0.933356 0.307701 0.045385 K\n0.566644 0.807701 0.954615 K\n0.223217 0.475097 0.250000 As\n0.276783 0.975097 0.750000 As\n0.776783 0.524902 0.750000 As\n0.723218 0.024902 0.250000 As\n0.503283 0.903466 0.250000 Se\n0.996718 0.403466 0.750000 Se\n0.324974 0.740758 0.750000 Se\n0.175026 0.240758 0.250000 Se\n0.675026 0.259242 0.250000 Se\n0.824974 0.759241 0.750000 Se\n0.853660 0.971506 0.429359 Se\n0.646340 0.471506 0.570641 Se\n0.353660 0.528493 0.070641 Se\n0.146340 0.028493 0.570641 Se\n0.353660 0.528493 0.429359 Se\n0.853660 0.971506 0.070641 Se\n0.646340 0.471506 0.929359 Se\n0.003282 0.596534 0.250000 Se\n0.146340 0.028493 0.929359 Se\n0.496718 0.096534 0.750000 Se\n",
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"structure_string": "Ba1 Hf1 Br1\n1.0\n8.217351 -0.477695 0.000000\n-0.563231 3.509502 0.000000\n0.000000 0.000000 3.317294\nBa Hf Br\n1 1 1\ndirect\n0.463072 0.098852 0.000000 Ba\n-0.162949 -0.214371 0.000000 Hf\n0.101854 0.417873 0.000000 Br\n",
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{
"id": "jvasp-29294",
"created_at": "2022-09-04T14:38:01.498356Z",
"updated_at": "2022-09-04T14:38:01.498381Z",
"structure_string": "In8 Te8 Cl8\n1.0\n7.168749 -0.141130 0.000000\n-0.421874 7.425980 0.000000\n0.000000 0.000000 14.258320\nIn Te Cl\n8 8 8\ndirect\n0.125797 0.793128 0.025362 In\n0.374204 0.206872 0.525362 In\n0.874204 0.206872 0.974638 In\n0.625797 0.793128 0.474638 In\n0.127008 0.815002 0.312886 In\n0.372993 0.184999 0.812886 In\n0.872993 0.184999 0.687114 In\n0.627008 0.815002 0.187114 In\n0.768850 0.594098 0.327245 Te\n0.731151 0.405902 0.827245 Te\n0.231151 0.405902 0.672755 Te\n0.268850 0.594098 0.172755 Te\n0.765639 0.163455 0.495791 Te\n0.734362 0.836546 0.995791 Te\n0.234362 0.836545 0.504209 Te\n0.265639 0.163455 0.004209 Te\n0.980981 0.064456 0.234524 Cl\n0.519020 0.935544 0.734524 Cl\n0.019020 0.935544 0.765476 Cl\n0.480980 0.064456 0.265476 Cl\n0.264871 0.387332 0.396204 Cl\n0.235129 0.612668 0.896204 Cl\n0.735130 0.612668 0.603796 Cl\n0.764871 0.387332 0.103796 Cl\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Cl-In-Te",
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"formula_full": "In8 Te8 Cl8",
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{
"id": "jvasp-16166",
"created_at": "2022-09-04T14:36:55.366724Z",
"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:45.792149Z",
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"structure_string": "Rb2 Ce1 Ag1 Cl6\n1.0\n6.620291 -0.000000 3.822227\n2.206764 6.241670 3.822227\n-0.000000 -0.000000 7.644454\nRb Ce Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.751757 0.248243 0.248243 Cl\n0.248243 0.248243 0.751757 Cl\n0.248243 0.751757 0.751757 Cl\n0.248243 0.751757 0.248244 Cl\n0.751757 0.248243 0.751757 Cl\n0.751756 0.751757 0.248244 Cl\n",
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"formula_full": "Rb2 Ce1 Ag1 Cl6",
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{
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"created_at": "2022-09-04T14:36:53.484006Z",
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"structure_string": "Ac1 Nd1 Mg2\n1.0\n4.877854 -0.000000 2.816231\n1.625951 4.598885 2.816231\n-0.000000 -0.000000 5.632461\nAc Nd Mg\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Ac\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750001 0.750000 Mg\n",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:36:31.485380Z",
"updated_at": "2022-09-04T14:36:31.485400Z",
"structure_string": "Pr1 Dy3\n1.0\n4.587524 0.005681 -4.076645\n-0.921774 4.493967 -4.076645\n-0.004628 -0.005681 6.137132\nPr Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.749999 0.250000 0.499999 Dy\n0.250000 0.750001 0.500000 Dy\n0.500000 0.500000 -0.000001 Dy\n",
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{
"id": "jvasp-38401",
"created_at": "2022-09-04T14:38:00.258816Z",
"updated_at": "2022-09-04T14:38:00.258841Z",
"structure_string": "Pr2 Te4\n1.0\n4.538626 0.000000 -0.000000\n0.000000 4.538626 0.000000\n-0.000000 -0.000000 9.198499\nPr Te\n2 4\ndirect\n0.000000 0.500000 0.272113 Pr\n0.500000 0.000000 0.727887 Pr\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.630880 Te\n0.500000 0.000000 0.369120 Te\n",
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{
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"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
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{
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"created_at": "2022-09-04T14:37:01.732657Z",
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"structure_string": "Na1 Y3\n1.0\n4.450434 -0.093934 -4.482880\n-0.821688 4.374930 -4.482880\n0.079622 0.093934 6.316347\nNa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.749999 0.250000 0.500000 Y\n0.249999 0.750000 0.499999 Y\n0.499999 0.500000 -0.000000 Y\n",
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{
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"structure_string": "Pb2 Se2\n1.0\n4.323732 0.050792 -0.731636\n-0.174464 4.320509 -0.731636\n-1.007904 -1.061838 7.113685\nPb Se\n2 2\ndirect\n0.850389 0.850387 0.717514 Pb\n0.132873 0.132873 0.282485 Pb\n0.347533 0.347532 0.712325 Se\n0.635208 0.635208 0.287675 Se\n",
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{
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"structure_string": "Rb8 In4 S10\n1.0\n7.074328 -0.044914 2.594368\n-0.256271 8.948517 2.749740\n-0.079995 -0.037857 10.933792\nRb In S\n8 4 10\ndirect\n0.766610 0.473666 0.664058 Rb\n0.233391 0.526335 0.335942 Rb\n0.506320 0.790639 0.912057 Rb\n0.459110 0.816256 0.452509 Rb\n0.540891 0.183745 0.547491 Rb\n0.880101 0.818848 0.090111 Rb\n0.119900 0.181153 0.909889 Rb\n0.493682 0.209362 0.087943 Rb\n0.031216 -0.007070 0.341114 In\n0.123286 0.593134 0.827517 In\n0.876715 0.406866 0.172482 In\n0.968785 0.007071 0.658886 In\n0.729906 0.521068 0.351975 S\n0.735873 0.113519 0.819468 S\n0.270095 0.478933 0.648025 S\n0.219006 0.479573 0.038460 S\n0.178648 0.158553 0.429102 S\n0.821354 0.841448 0.570898 S\n0.199490 0.870668 0.768017 S\n0.800511 0.129332 0.231983 S\n0.780995 0.520428 0.961540 S\n0.264128 0.886482 0.180531 S\n",
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