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{
"id": "mp-559493",
"created_at": "2022-09-04T14:43:56.079051Z",
"structure_string": "Ti8 P8 Cl56 O8\n1.0\n13.034221 0.000000 0.000000\n0.000000 13.162022 0.000000\n0.000000 0.000000 14.091866\nTi P Cl O\n8 8 56 8\ndirect\n0.936857 0.865646 0.000775 Ti\n0.063143 0.365646 0.499225 Ti\n0.063143 0.134354 0.999225 Ti\n0.563143 0.134354 0.500775 Ti\n0.936857 0.634354 0.500775 Ti\n0.563143 0.365646 0.000775 Ti\n0.436857 0.865646 0.499225 Ti\n0.436857 0.634354 0.999225 Ti\n0.684789 0.066790 0.716469 P\n0.184789 0.433210 0.283531 P\n0.815211 0.566790 0.716469 P\n0.815211 0.933210 0.216469 P\n0.684789 0.433210 0.216469 P\n0.315211 0.566790 0.783531 P\n0.184789 0.066790 0.783531 P\n0.315211 0.933210 0.283531 P\n0.229020 0.170422 0.023570 Cl\n0.772974 0.186293 0.743095 Cl\n0.880084 0.970099 0.338978 Cl\n0.399592 0.047927 0.541984 Cl\n0.781292 0.954773 0.684967 Cl\n0.770980 0.670422 0.476430 Cl\n0.100408 0.547927 0.541984 Cl\n0.119916 0.470099 0.161022 Cl\n0.490229 0.720962 0.431592 Cl\n0.509771 0.279038 0.568408 Cl\n0.509659 0.169529 0.353916 Cl\n0.490229 0.779038 0.931592 Cl\n0.772974 0.313707 0.243095 Cl\n0.009771 0.220962 0.431592 Cl\n0.119916 0.029901 0.661022 Cl\n0.270980 0.829578 0.523570 Cl\n0.990341 0.830471 0.853916 Cl\n0.218708 0.045227 0.315033 Cl\n0.009659 0.330471 0.646084 Cl\n0.729020 0.329578 0.976430 Cl\n0.509659 0.330471 0.853916 Cl\n0.600408 0.952073 0.458016 Cl\n0.270980 0.670422 0.023570 Cl\n0.227026 0.813707 0.256905 Cl\n0.281292 0.954773 0.815033 Cl\n0.990229 0.779038 0.568408 Cl\n0.218708 0.454773 0.815033 Cl\n0.229020 0.329578 0.523570 Cl\n0.899592 0.047927 0.958016 Cl\n0.227026 0.686293 0.756905 Cl\n0.100408 0.952073 0.041984 Cl\n0.770980 0.829578 0.976430 Cl\n0.718708 0.454773 0.684967 Cl\n0.781292 0.545227 0.184967 Cl\n0.380084 0.529901 0.661022 Cl\n0.490341 0.669529 0.146084 Cl\n0.718708 0.045227 0.184967 Cl\n0.880084 0.529901 0.838978 Cl\n0.281292 0.545227 0.315033 Cl\n0.729020 0.170422 0.476430 Cl\n0.619916 0.470099 0.338978 Cl\n0.990341 0.669529 0.353916 Cl\n0.600408 0.547927 0.958016 Cl\n0.380084 0.970099 0.161022 Cl\n0.490341 0.830471 0.646084 Cl\n0.009659 0.169529 0.146084 Cl\n0.009771 0.279038 0.931592 Cl\n0.727026 0.686293 0.743095 Cl\n0.509771 0.220962 0.068408 Cl\n0.990229 0.720962 0.068408 Cl\n0.272974 0.313707 0.256905 Cl\n0.899592 0.452073 0.458016 Cl\n0.272974 0.186293 0.756905 Cl\n0.727026 0.813707 0.243095 Cl\n0.399592 0.452073 0.041984 Cl\n0.619916 0.029901 0.838978 Cl\n0.893819 0.915313 0.141919 O\n0.606181 0.084687 0.641919 O\n0.106181 0.084687 0.858081 O\n0.893819 0.584687 0.641919 O\n0.606181 0.415313 0.141919 O\n0.393819 0.584687 0.858081 O\n0.106181 0.415313 0.358081 O\n0.393819 0.915313 0.358081 O\n",
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"density_atomic": 0.033091296997830276,
"volume": 2417.554077896839,
"volume_molar": 18.19856369000846,
"formula_full": "Ti8 P8 Cl56 O8",
"formula_reduced": "TiPCl7O",
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"updated_at": "2021-11-28T01:36:20.330000Z",
"spacegroup": 61
},
{
"id": "mp-1199642",
"created_at": "2022-09-04T14:47:11.600146Z",
"structure_string": "Sr4 V8 Te4 H4 O34\n1.0\n2.606744 10.665774 0.000000\n-2.606744 10.665774 0.000000\n0.000000 7.943854 14.531256\nSr V Te H O\n4 8 4 4 34\ndirect\n0.372059 0.664457 0.117982 Sr\n0.335543 0.627941 0.382018 Sr\n0.627941 0.335543 0.882018 Sr\n0.664457 0.372059 0.617982 Sr\n0.045113 0.306456 0.010452 V\n0.693544 0.954887 0.489548 V\n0.954887 0.693544 0.989548 V\n0.306456 0.045113 0.510452 V\n0.255198 0.000913 0.858558 V\n0.999087 0.744802 0.641442 V\n0.744802 0.999087 0.141442 V\n0.000913 0.255198 0.358558 V\n0.589322 0.747675 0.184737 Te\n0.252325 0.410678 0.315263 Te\n0.410678 0.252325 0.815263 Te\n0.747675 0.589322 0.684737 Te\n0.843180 0.075030 0.268452 H\n0.924970 0.156820 0.231548 H\n0.156820 0.924970 0.731548 H\n0.075030 0.843180 0.768452 H\n0.867854 0.565253 0.072330 O\n0.434747 0.132146 0.427670 O\n0.132146 0.434747 0.927670 O\n0.565253 0.867854 0.572330 O\n0.001114 0.998886 0.250000 O\n0.998886 0.001114 0.750000 O\n0.868722 0.499574 0.257801 O\n0.500426 0.131278 0.242199 O\n0.131278 0.500426 0.742199 O\n0.499574 0.868722 0.757801 O\n0.606510 0.545370 0.218623 O\n0.454630 0.393490 0.281377 O\n0.393490 0.454630 0.781377 O\n0.545370 0.606510 0.718623 O\n0.776413 0.449960 0.020490 O\n0.550040 0.223587 0.479510 O\n0.223587 0.550040 0.979510 O\n0.449960 0.776413 0.520490 O\n0.238298 0.035564 0.091475 O\n0.964436 0.761702 0.408525 O\n0.761702 0.964436 0.908525 O\n0.035564 0.238298 0.591475 O\n0.242660 0.125592 0.907766 O\n0.874408 0.757340 0.592234 O\n0.757340 0.874408 0.092234 O\n0.125592 0.242660 0.407766 O\n0.332711 0.772457 0.932984 O\n0.227543 0.667289 0.567016 O\n0.667289 0.227543 0.067016 O\n0.772457 0.332711 0.432984 O\n0.951638 0.257349 0.824750 O\n0.742651 0.048362 0.675250 O\n0.048362 0.742651 0.175250 O\n0.257349 0.951638 0.324750 O\n",
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"formula_full": "Sr4 V8 Te4 H4 O34",
"formula_reduced": "Sr2V4Te2H2O17",
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"updated_at": "2021-11-28T01:38:00.729000Z",
"spacegroup": 15
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{
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"created_at": "2022-09-04T14:45:18.260778Z",
"structure_string": "Na1 Pb2 I1 O6\n1.0\n0.000000 4.142326 4.142326\n4.142326 0.000000 4.142326\n4.142326 4.142326 0.000000\nNa Pb I O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 I\n0.771085 0.771085 0.228915 O\n0.228915 0.771085 0.228915 O\n0.771085 0.228915 0.228915 O\n0.228915 0.228915 0.771085 O\n0.771085 0.228915 0.771085 O\n0.228915 0.771085 0.771085 O\n",
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"formula_full": "Na1 Pb2 I1 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1041748",
"created_at": "2022-09-04T14:41:02.619300Z",
"structure_string": "Zn2 Ni1 W1 O6\n1.0\n5.403446 0.000000 0.000000\n1.330481 5.277045 0.000000\n2.001613 2.120542 5.022943\nZn Ni W O\n2 1 1 6\ndirect\n0.625737 0.130675 0.675320 Zn\n0.127487 0.623572 0.617626 Zn\n0.405368 0.415291 0.128075 Ni\n0.028840 0.018722 0.994678 W\n0.371569 0.822383 0.928327 O\n0.716917 0.271664 0.908830 O\n0.893595 0.787823 0.328905 O\n0.968691 0.918279 0.726415 O\n0.146983 0.296977 0.024614 O\n0.381622 0.378248 0.479772 O\n",
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],
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"formula_full": "Zn2 Ni1 W1 O6",
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{
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{
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"created_at": "2022-09-04T14:46:10.191835Z",
"structure_string": "H12 C4 N16 O4\n1.0\n-0.450785 0.000000 -8.045170\n-4.507786 -5.974530 2.380254\n-4.507786 5.974530 2.380254\nH C N O\n12 4 16 4\ndirect\n0.756111 0.581339 0.824282 H\n0.243889 0.418661 0.175718 H\n0.743889 0.175718 0.418661 H\n0.256111 0.824282 0.581339 H\n0.736202 0.460416 0.362592 H\n0.263798 0.539584 0.637408 H\n0.763798 0.637408 0.539584 H\n0.236202 0.362592 0.460416 H\n0.764126 0.370064 0.867452 H\n0.235874 0.629936 0.132548 H\n0.735874 0.132548 0.629936 H\n0.264126 0.867452 0.370064 H\n0.750000 0.917524 0.082476 C\n0.250000 0.082476 0.917524 C\n0.750000 0.392302 0.607698 C\n0.250000 0.607698 0.392302 C\n0.740621 0.865604 0.908119 N\n0.259379 0.134396 0.091881 N\n0.759379 0.091881 0.134396 N\n0.240621 0.908119 0.865604 N\n0.758748 0.453289 0.779543 N\n0.241252 0.546711 0.220457 N\n0.741252 0.220457 0.546711 N\n0.258748 0.779543 0.453289 N\n0.750000 0.504556 0.495444 N\n0.250000 0.495444 0.504556 N\n0.755745 0.151338 0.984307 N\n0.244255 0.848662 0.015693 N\n0.744255 0.015693 0.848662 N\n0.255745 0.984307 0.151338 N\n0.750000 0.797340 0.202660 N\n0.250000 0.202660 0.797340 N\n0.746454 0.639520 0.142057 O\n0.253546 0.360480 0.857943 O\n0.753546 0.857943 0.360480 O\n0.246454 0.142057 0.639520 O\n",
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{
"id": "mp-554482",
"created_at": "2022-09-04T14:45:28.630013Z",
"structure_string": "Rb4 Mo4 H8 C8 O30\n1.0\n14.533491 0.000000 0.000000\n0.000000 7.030230 0.000000\n0.000000 0.609688 7.785578\nRb Mo H C O\n4 4 8 8 30\ndirect\n0.637196 0.127158 0.191587 Rb\n0.137196 0.372842 0.808413 Rb\n0.362804 0.872842 0.808413 Rb\n0.862804 0.627158 0.191587 Rb\n0.393070 0.383894 0.105541 Mo\n0.893070 0.116106 0.894459 Mo\n0.106930 0.883894 0.105541 Mo\n0.606930 0.616106 0.894459 Mo\n0.435475 0.725780 0.289659 H\n0.175068 0.226401 0.260312 H\n0.824932 0.773599 0.739688 H\n0.324932 0.726401 0.260312 H\n0.675069 0.273599 0.739688 H\n0.064525 0.225780 0.289659 H\n0.564525 0.274220 0.710341 H\n0.935475 0.774220 0.710341 H\n0.070014 0.760164 0.479681 C\n0.176212 0.748013 0.456876 C\n0.570014 0.739836 0.520319 C\n0.323788 0.248013 0.456876 C\n0.676212 0.751987 0.543124 C\n0.929986 0.239836 0.520319 C\n0.823788 0.251987 0.543124 C\n0.429986 0.260164 0.479681 C\n0.304740 0.469096 0.969823 O\n0.089786 0.650455 0.056516 O\n0.727279 0.814681 0.426318 O\n0.589786 0.849545 0.943484 O\n0.465564 0.200028 0.618287 O\n0.272721 0.185319 0.573682 O\n0.884176 0.820549 0.781798 O\n0.910214 0.349545 0.943484 O\n0.227279 0.685319 0.573682 O\n0.410214 0.150455 0.056516 O\n0.972554 0.167032 0.655001 O\n0.704474 0.690858 0.697663 O\n0.204474 0.809142 0.302337 O\n0.804740 0.030904 0.030177 O\n0.965564 0.299972 0.381713 O\n0.027446 0.832968 0.344999 O\n0.034436 0.700028 0.618287 O\n0.527446 0.667032 0.655001 O\n0.115824 0.179451 0.218202 O\n0.795526 0.190858 0.697663 O\n0.000000 0.000000 0.000000 O\n0.615824 0.320549 0.781798 O\n0.772721 0.314681 0.426318 O\n0.472554 0.332968 0.344999 O\n0.534436 0.799972 0.381713 O\n0.195260 0.969096 0.969823 O\n0.295526 0.309142 0.302337 O\n0.384176 0.679451 0.218202 O\n0.695260 0.530904 0.030177 O\n0.500000 0.500000 0.000000 O\n",
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