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{
"id": "jvasp-27016",
"created_at": "2022-09-04T14:38:35.762267Z",
"updated_at": "2022-09-04T14:38:35.762277Z",
"structure_string": "Nd10 Sn6\n1.0\n4.644392 -8.044323 -0.000000\n4.644392 8.044323 0.000000\n-0.000000 -0.000000 6.798118\nNd Sn\n10 6\ndirect\n0.333333 0.666667 0.000000 Nd\n0.666667 0.333333 0.500000 Nd\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.500000 Nd\n-0.000000 0.243318 0.250000 Nd\n0.756681 -0.000000 0.750000 Nd\n0.243318 0.243318 0.750000 Nd\n0.756681 0.756681 0.250000 Nd\n0.243318 -0.000000 0.250000 Nd\n-0.000000 0.756681 0.750000 Nd\n-0.000000 0.607425 0.250000 Sn\n0.392574 -0.000000 0.750000 Sn\n0.607425 0.607425 0.750000 Sn\n0.392574 0.392574 0.250000 Sn\n0.607425 -0.000000 0.250000 Sn\n-0.000000 0.392574 0.750000 Sn\n",
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{
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"updated_at": "2022-09-04T14:38:35.764105Z",
"structure_string": "Tl8 Sn2 Te6\n1.0\n7.770927 -0.000000 -4.356392\n-2.442198 7.377194 -4.356392\n0.019108 0.026452 9.143166\nTl Sn Te\n8 2 6\ndirect\n0.986223 0.486222 0.680694 Tl\n0.013777 0.513777 0.319306 Tl\n0.194471 0.986222 0.680694 Tl\n0.486223 0.694471 0.680694 Tl\n0.805529 0.013777 0.319307 Tl\n0.513778 0.305528 0.319306 Tl\n0.305528 0.805528 0.319306 Tl\n0.694472 0.194471 0.680694 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.335104 0.835103 -0.000000 Te\n0.835104 0.664896 0.000000 Te\n0.164896 0.335104 -0.000000 Te\n0.750000 0.749999 0.500000 Te\n0.250000 0.250000 0.500000 Te\n0.664896 0.164896 0.000000 Te\n",
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{
"id": "jvasp-54350",
"created_at": "2022-09-04T14:38:35.770680Z",
"updated_at": "2022-09-04T14:38:35.770715Z",
"structure_string": "Cu12 Bi4 S12\n1.0\n6.754786 0.000000 0.000000\n0.000000 7.532961 0.000000\n0.000000 0.000000 10.650028\nCu Bi S\n12 4 12\ndirect\n0.627218 0.364859 0.082625 Cu\n0.872783 0.635141 0.582625 Cu\n0.063564 0.311484 0.599313 Cu\n0.029919 0.952997 0.546737 Cu\n0.436436 0.688516 0.099313 Cu\n0.127218 0.135141 0.917375 Cu\n0.372783 0.864859 0.417375 Cu\n0.936436 0.811484 0.900687 Cu\n0.529919 0.547003 0.453263 Cu\n0.563565 0.188516 0.400687 Cu\n0.970082 0.452997 0.953263 Cu\n0.470081 0.047003 0.046737 Cu\n0.127052 0.327882 0.260624 Bi\n0.372949 0.672118 0.760624 Bi\n0.627052 0.172118 0.739377 Bi\n0.872949 0.827882 0.239377 Bi\n0.397314 0.320702 0.567291 S\n0.102686 0.679298 0.067291 S\n0.602687 0.820702 0.932709 S\n0.120829 0.944062 0.750533 S\n0.411069 0.305651 0.924853 S\n0.088931 0.694349 0.424853 S\n0.911069 0.194349 0.075147 S\n0.588931 0.805651 0.575147 S\n0.379171 0.055938 0.250532 S\n0.897314 0.179298 0.432709 S\n0.879171 0.444062 0.749468 S\n0.620830 0.555938 0.249468 S\n",
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{
"id": "jvasp-117559",
"created_at": "2022-09-04T14:38:35.771422Z",
"updated_at": "2022-09-04T14:38:35.771449Z",
"structure_string": "Ba1 Se1 Cl2\n1.0\n4.083224 0.000000 0.000000\n0.000000 4.083224 0.000000\n0.000000 -0.000000 7.211559\nBa Se Cl\n1 1 2\ndirect\n0.499999 0.499999 0.611658 Ba\n0.000000 0.000000 0.949800 Se\n0.000000 0.000000 0.433050 Cl\n0.499999 0.499999 0.015493 Cl\n",
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{
"id": "jvasp-5488",
"created_at": "2022-09-04T14:38:35.773660Z",
"updated_at": "2022-09-04T14:38:35.773698Z",
"structure_string": "Ta4 Zn6 O16\n1.0\n5.793311 -0.239197 2.103182\n-0.154079 5.796200 2.103182\n-0.215390 -0.212250 9.584435\nTa Zn O\n4 6 16\ndirect\n0.223968 0.939338 0.872344 Ta\n0.776032 0.060662 0.127656 Ta\n0.939338 0.223967 0.372344 Ta\n0.060662 0.776032 0.627656 Ta\n0.365906 0.318716 0.494418 Zn\n0.681283 0.634093 0.005582 Zn\n0.634094 0.681283 0.505582 Zn\n0.318716 0.365906 0.994418 Zn\n0.762335 0.237665 0.750000 Zn\n0.237665 0.762335 0.250000 Zn\n0.985356 0.715807 0.855539 O\n0.284193 0.014644 0.644462 O\n0.141443 0.938601 0.395856 O\n0.820305 0.573962 0.645452 O\n0.938601 0.141443 0.895856 O\n0.715807 0.985356 0.355539 O\n0.014644 0.284193 0.144461 O\n0.420490 0.691629 0.908043 O\n0.308371 0.579511 0.591957 O\n0.579511 0.308371 0.091957 O\n0.691629 0.420490 0.408043 O\n0.573962 0.820305 0.145452 O\n0.179695 0.426037 0.354548 O\n0.426037 0.179695 0.854548 O\n0.858557 0.061399 0.604144 O\n0.061399 0.858557 0.104144 O\n",
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"volume": 326.87329818909393,
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"formula_full": "Ta4 Zn6 O16",
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"spacegroup": 15
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{
"id": "jvasp-119584",
"created_at": "2022-09-04T14:38:35.776583Z",
"updated_at": "2022-09-04T14:38:35.776613Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.655250 -0.008768 1.599535\n1.528385 4.702429 0.564065\n0.027954 -0.061514 7.495676\nLi Mn Co O\n6 2 2 10\ndirect\n-0.000001 0.500001 0.500001 Li\n0.596267 0.499977 0.307413 Li\n0.199885 0.499987 0.100218 Li\n0.800113 0.500014 0.899784 Li\n0.403731 0.500023 0.692590 Li\n0.500000 0.000000 0.500001 Li\n0.900299 0.000000 0.699418 Mn\n0.099700 0.000000 0.300584 Mn\n0.300483 -0.000001 0.899039 Co\n0.699516 0.000001 0.100962 Co\n0.140482 0.225365 0.712661 O\n0.646923 0.774610 0.712621 O\n0.221022 0.769048 0.499965 O\n0.859516 0.774636 0.287341 O\n0.443069 0.779902 0.101285 O\n0.044409 0.779898 0.898648 O\n0.353075 0.225390 0.287381 O\n0.955589 0.220103 0.101355 O\n0.556929 0.220099 0.898718 O\n0.778976 0.230953 0.500037 O\n",
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"volume": 163.9889054832716,
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"formula_full": "Li6 Mn2 Co2 O10",
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"formula_anonymous": "ABC3D5",
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},
{
"id": "jvasp-37585",
"created_at": "2022-09-04T14:38:35.778636Z",
"updated_at": "2022-09-04T14:38:35.778656Z",
"structure_string": "Sm12 Co4\n1.0\n6.296137 -0.000000 0.000000\n-0.000000 6.968986 0.000000\n0.000000 0.000000 9.649086\nSm Co\n12 4\ndirect\n0.146080 0.457960 0.750000 Sm\n0.175044 0.173462 0.068351 Sm\n0.175044 0.173462 0.431649 Sm\n0.324956 0.673463 0.068351 Sm\n0.324956 0.673463 0.431649 Sm\n0.353920 0.957960 0.750000 Sm\n0.646081 0.042041 0.250000 Sm\n0.675045 0.326538 0.568352 Sm\n0.675045 0.326538 0.931649 Sm\n0.824956 0.826538 0.568352 Sm\n0.824956 0.826538 0.931649 Sm\n0.853920 0.542041 0.250000 Sm\n0.059464 0.885558 0.250000 Co\n0.440536 0.385557 0.250000 Co\n0.559464 0.614443 0.750000 Co\n0.940536 0.114443 0.750000 Co\n",
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"formula_full": "Sm12 Co4",
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{
"id": "jvasp-49225",
"created_at": "2022-09-04T14:38:35.785524Z",
"updated_at": "2022-09-04T14:38:35.785549Z",
"structure_string": "Pr8 S12\n1.0\n4.092196 0.000000 0.000000\n0.000000 7.545010 0.000000\n0.000000 0.000000 15.767722\nPr S\n8 12\ndirect\n0.250000 0.764922 0.455690 Pr\n0.750001 0.235078 0.544310 Pr\n0.250000 0.264922 0.044310 Pr\n0.750001 0.735078 0.955690 Pr\n0.250000 0.644145 0.704016 Pr\n0.750001 0.355855 0.295984 Pr\n0.250000 0.144145 0.795984 Pr\n0.750001 0.855854 0.204016 Pr\n0.250000 0.008372 0.609636 S\n0.750001 0.991628 0.390364 S\n0.750001 0.626647 0.567077 S\n0.250000 0.373352 0.432923 S\n0.750001 0.126647 0.932923 S\n0.750001 0.354621 0.719183 S\n0.750001 0.854621 0.780817 S\n0.250000 0.145378 0.219183 S\n0.750001 0.491628 0.109636 S\n0.250000 0.645378 0.280817 S\n0.250000 0.873352 0.067077 S\n0.250000 0.508372 0.890364 S\n",
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{
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"created_at": "2022-09-04T14:38:35.785728Z",
"updated_at": "2022-09-04T14:38:35.785751Z",
"structure_string": "Cr12 O28\n1.0\n5.284221 0.000000 0.000000\n0.000000 10.309131 0.000000\n-0.000000 0.000000 9.314880\nCr O\n12 28\ndirect\n0.249900 0.016686 0.312684 Cr\n0.750100 0.983314 0.687316 Cr\n0.250100 0.016686 0.812684 Cr\n0.249900 0.483314 0.312684 Cr\n0.250145 0.750000 0.703645 Cr\n0.750145 0.250000 0.796355 Cr\n0.749900 0.516686 0.187316 Cr\n0.249854 0.750000 0.203645 Cr\n0.250100 0.483314 0.812684 Cr\n0.750100 0.516686 0.687316 Cr\n0.749900 0.983314 0.187316 Cr\n0.749854 0.250000 0.296355 Cr\n0.749785 0.250000 0.467244 O\n0.020139 0.617160 0.761301 O\n0.250215 0.750000 0.532756 O\n0.750215 0.250000 0.967244 O\n0.249785 0.750000 0.032756 O\n0.249997 0.460813 0.480221 O\n0.750003 0.539186 0.519779 O\n0.749997 0.960814 0.019779 O\n0.249997 0.039187 0.480221 O\n0.749997 0.539186 0.019779 O\n0.520139 0.382840 0.738699 O\n0.250003 0.460813 0.980221 O\n0.979861 0.117160 0.238699 O\n0.480117 0.617166 0.761367 O\n0.979861 0.382840 0.238699 O\n0.479861 0.617160 0.261301 O\n0.020139 0.882840 0.761301 O\n0.520139 0.117160 0.738699 O\n0.250003 0.039187 0.980221 O\n0.980117 0.382834 0.738634 O\n0.519883 0.117166 0.238634 O\n0.019883 0.882834 0.261366 O\n0.519883 0.382834 0.238634 O\n0.019883 0.617166 0.261366 O\n0.480117 0.882834 0.761367 O\n0.980117 0.117166 0.738634 O\n0.479861 0.882840 0.261301 O\n0.750003 0.960814 0.519779 O\n",
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},
{
"id": "jvasp-59058",
"created_at": "2022-09-04T14:38:35.791649Z",
"updated_at": "2022-09-04T14:38:35.791658Z",
"structure_string": "Ba8 I12 O2\n1.0\n5.476473 -9.485529 -0.000000\n5.476473 9.485529 0.000000\n-0.000000 -0.000000 8.462760\nBa I O\n8 12 2\ndirect\n0.406870 0.203435 0.128198 Ba\n0.203435 0.406870 0.628198 Ba\n0.203435 0.796565 0.628198 Ba\n0.796565 0.203435 0.128198 Ba\n0.796565 0.593130 0.128198 Ba\n0.593130 0.796565 0.628198 Ba\n0.666667 0.333333 0.525309 Ba\n0.333333 0.666667 0.025309 Ba\n0.467871 0.935741 0.325924 I\n0.532129 0.467871 0.825924 I\n0.935741 0.467871 0.825924 I\n0.064258 0.532129 0.325924 I\n0.467871 0.532129 0.325924 I\n0.532129 0.064258 0.825924 I\n0.136874 0.863126 0.013655 I\n0.863125 0.726251 0.513655 I\n0.863126 0.136874 0.513655 I\n0.136874 0.273748 0.013655 I\n0.273748 0.136874 0.513655 I\n0.726251 0.863125 0.013655 I\n0.666667 0.333333 0.223247 O\n0.333333 0.666667 0.723247 O\n",
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"volume": 879.2341081138464,
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},
{
"id": "jvasp-31193",
"created_at": "2022-09-04T14:38:35.794753Z",
"updated_at": "2022-09-04T14:38:35.794792Z",
"structure_string": "Mg2 I4 O12\n1.0\n0.000000 5.516847 0.001270\n5.034839 0.000000 0.000000\n0.000000 -0.051257 -9.492116\nMg I O\n2 4 12\ndirect\n0.765439 0.078713 0.754657 Mg\n0.234561 0.578713 0.245344 Mg\n0.733787 0.999511 0.099897 I\n0.266213 0.499511 0.900104 I\n0.261193 0.012630 0.567750 I\n0.738807 0.512630 0.432250 I\n0.982065 0.841063 0.622835 O\n0.017935 0.341063 0.377166 O\n0.088287 0.297279 0.775521 O\n0.150342 0.361848 0.066007 O\n0.340830 0.795665 0.419642 O\n0.551192 0.309096 0.894090 O\n0.448808 0.809096 0.105910 O\n0.659170 0.295665 0.580359 O\n0.849658 0.861848 0.933993 O\n0.911713 0.797279 0.224480 O\n0.465045 0.851195 0.696764 O\n0.534955 0.351195 0.303237 O\n",
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"spacegroup": 4
},
{
"id": "jvasp-26926",
"created_at": "2022-09-04T14:38:35.799534Z",
"updated_at": "2022-09-04T14:38:35.799562Z",
"structure_string": "Re1 H8 Br6 N2\n1.0\n6.360560 -0.000000 3.672272\n2.120186 5.996794 3.672272\n-0.000000 -0.000000 7.344542\nRe H Br N\n1 8 6 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.307689 0.076935 0.307688 H\n0.076935 0.307688 0.307688 H\n0.923066 0.692311 0.692311 H\n0.692312 0.692311 0.692311 H\n0.692312 0.923065 0.692311 H\n0.307689 0.307688 0.076934 H\n0.307689 0.307688 0.307688 H\n0.692312 0.692311 0.923065 H\n0.243696 0.756304 0.243695 Br\n0.756305 0.243695 0.243695 Br\n0.243696 0.756304 0.756304 Br\n0.243696 0.243695 0.756304 Br\n0.756305 0.756304 0.243695 Br\n0.756305 0.243695 0.756304 Br\n0.250000 0.250000 0.250000 N\n0.750001 0.750000 0.749999 N\n",
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}
]
}