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{
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"results": [
{
"id": "mp-1181345",
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"structure_string": "Nd2 Te1 Mo6 O42\n1.0\n8.094440 -0.373679 -3.233861\n-3.701401 10.159310 -1.854707\n-0.236206 0.204782 11.112655\nNd Te Mo O\n2 1 6 42\ndirect\n0.052137 0.263243 0.754316 Nd\n0.947863 0.736757 0.245684 Nd\n0.500000 0.500000 0.500000 Te\n0.586513 0.221181 0.459035 Mo\n0.413487 0.778819 0.540965 Mo\n0.639502 0.417735 0.270409 Mo\n0.360498 0.582265 0.729591 Mo\n0.521100 0.680045 0.295226 Mo\n0.478900 0.319955 0.704774 Mo\n0.650839 0.426260 0.624767 O\n0.349161 0.573740 0.375233 O\n0.444058 0.338741 0.353619 O\n0.555942 0.661259 0.646381 O\n0.751285 0.342118 0.406780 O\n0.248715 0.657882 0.593220 O\n0.427424 0.186290 0.538618 O\n0.572576 0.813710 0.461382 O\n0.777319 0.195422 0.585744 O\n0.222681 0.804578 0.414256 O\n0.480453 0.081743 0.321586 O\n0.519547 0.918257 0.678414 O\n0.681563 0.587862 0.450095 O\n0.318437 0.412138 0.549905 O\n0.472865 0.506051 0.188462 O\n0.527135 0.493949 0.811538 O\n0.544879 0.285801 0.125944 O\n0.455121 0.714199 0.874056 O\n0.833201 0.534689 0.265937 O\n0.166799 0.465311 0.734063 O\n0.729930 0.768696 0.288100 O\n0.270070 0.231304 0.711900 O\n0.353562 0.712852 0.175865 O\n0.646438 0.287148 0.824135 O\n0.955148 0.938580 0.610732 O\n0.044852 0.061420 0.389268 O\n0.206854 0.095199 0.903773 O\n0.793146 0.904801 0.096227 O\n0.085609 0.462920 0.950244 O\n0.914391 0.537080 0.049756 O\n0.981260 0.142391 0.414762 O\n0.018740 0.857609 0.585238 O\n0.995216 0.524773 0.894593 O\n0.004784 0.475227 0.105407 O\n0.946342 0.198010 0.930269 O\n0.053658 0.801990 0.069731 O\n0.111229 0.167091 0.125854 O\n0.888771 0.832909 0.874146 O\n0.702497 0.967955 0.109509 O\n0.297503 0.032045 0.890491 O\n0.964704 0.175305 0.048046 O\n0.035296 0.824695 0.951954 O\n",
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],
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"updated_at": "2021-11-28T01:38:00.244000Z",
"spacegroup": 2
},
{
"id": "mp-769500",
"created_at": "2022-09-04T14:47:19.747166Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.106422 0.000000 0.000000\n-1.476481 7.988268 0.000000\n-3.109670 -3.735917 9.121753\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.267274 0.226228 0.245611 Na\n0.975425 0.514880 0.245026 Na\n0.024575 0.485120 0.754974 Na\n0.732726 0.773772 0.754389 Na\n0.931015 0.180419 0.343549 Mn\n0.443618 0.693937 0.339329 Mn\n0.556382 0.306063 0.660671 Mn\n0.068985 0.819581 0.656451 Mn\n0.200695 0.948246 0.430054 P\n0.696677 0.448655 0.433009 P\n0.303323 0.551345 0.566991 P\n0.799305 0.051754 0.569946 P\n0.774669 0.031258 0.077600 C\n0.280798 0.524877 0.075600 C\n0.719202 0.475123 0.924400 C\n0.225331 0.968742 0.922400 C\n0.305528 0.045878 0.056453 O\n0.802198 0.560745 0.056532 O\n0.422320 0.668323 0.137115 O\n0.921178 0.174621 0.144273 O\n0.727947 0.982966 0.174811 O\n0.236007 0.482413 0.178636 O\n0.271383 0.827570 0.325470 O\n0.090264 0.033109 0.331166 O\n0.785895 0.342399 0.335946 O\n0.581925 0.525257 0.330354 O\n0.158204 0.404168 0.423467 O\n0.569649 0.321854 0.472777 O\n0.071696 0.820924 0.469164 O\n0.652304 0.908728 0.428741 O\n0.347696 0.091272 0.571259 O\n0.430351 0.678146 0.527223 O\n0.928304 0.179076 0.530836 O\n0.841796 0.595832 0.576533 O\n0.214105 0.657601 0.664054 O\n0.418075 0.474743 0.669646 O\n0.728617 0.172430 0.674530 O\n0.909736 0.966891 0.668834 O\n0.763993 0.517587 0.821364 O\n0.272053 0.017034 0.825189 O\n0.577680 0.331677 0.862885 O\n0.078822 0.825379 0.855727 O\n0.694472 0.954122 0.943547 O\n0.197802 0.439255 0.943468 O\n",
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],
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"density_atomic": 0.0744890667813454,
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"updated_at": "2021-11-28T01:38:05.124000Z",
"spacegroup": 2
},
{
"id": "mp-554071",
"created_at": "2022-09-04T14:46:52.035197Z",
"structure_string": "Na16 Nb4 Cu8 S42\n1.0\n6.824540 0.000000 0.000000\n0.000000 7.861235 0.000000\n0.000000 0.000000 30.121535\nNa Nb Cu S\n16 4 8 42\ndirect\n0.442498 0.239314 0.759064 Na\n0.857384 0.248348 0.852769 Na\n0.836506 0.235017 0.142391 Na\n0.240283 0.000000 0.500000 Na\n0.142616 0.748348 0.647231 Na\n0.163494 0.264983 0.642391 Na\n0.557502 0.260686 0.259064 Na\n0.163494 0.735017 0.357609 Na\n0.142616 0.251652 0.352769 Na\n0.759717 0.500000 0.000000 Na\n0.540027 0.500000 0.500000 Na\n0.836506 0.764983 0.857609 Na\n0.557502 0.739314 0.740936 Na\n0.459973 0.000000 0.000000 Na\n0.442498 0.760686 0.240936 Na\n0.857384 0.751652 0.147231 Na\n0.460011 0.500574 0.107261 Nb\n0.460011 0.499426 0.892739 Nb\n0.539989 0.999426 0.607261 Nb\n0.539989 0.000574 0.392739 Nb\n0.225678 0.751342 0.068937 Cu\n0.223761 0.251745 0.067311 Cu\n0.774322 0.748658 0.568937 Cu\n0.225678 0.248658 0.931063 Cu\n0.774322 0.251342 0.431063 Cu\n0.223761 0.748255 0.932689 Cu\n0.776239 0.751745 0.432689 Cu\n0.776239 0.248255 0.567311 Cu\n0.413943 0.996220 0.321792 S\n0.195698 0.848549 0.791571 S\n0.004730 0.012298 0.247611 S\n0.078560 0.219120 0.999250 S\n0.686349 0.491522 0.339175 S\n0.881417 0.999802 0.395954 S\n0.921440 0.280880 0.499250 S\n0.437708 0.233741 0.567381 S\n0.876179 0.499452 0.606208 S\n0.195698 0.151451 0.208429 S\n0.565427 0.259857 0.929874 S\n0.253928 0.499580 0.710935 S\n0.921440 0.719120 0.500750 S\n0.434573 0.759857 0.570126 S\n0.586057 0.496220 0.178208 S\n0.094026 0.500000 0.500000 S\n0.313651 0.008478 0.839175 S\n0.413943 0.003780 0.678208 S\n0.905974 0.000000 0.000000 S\n0.078560 0.780880 0.000750 S\n0.118583 0.499802 0.104046 S\n0.434573 0.240143 0.429874 S\n0.746072 0.999580 0.789065 S\n0.123821 0.000548 0.106208 S\n0.118583 0.500198 0.895954 S\n0.995270 0.487702 0.747611 S\n0.876179 0.500548 0.393792 S\n0.804302 0.348549 0.708429 S\n0.995270 0.512298 0.252389 S\n0.565427 0.740143 0.070126 S\n0.804302 0.651451 0.291571 S\n0.686349 0.508478 0.660825 S\n0.437708 0.766259 0.432619 S\n0.253928 0.500420 0.289065 S\n0.004730 0.987702 0.752389 S\n0.881417 0.000198 0.604046 S\n0.562292 0.266259 0.067381 S\n0.123821 0.999452 0.893792 S\n0.586057 0.503780 0.821792 S\n0.562292 0.733741 0.932619 S\n0.313651 0.991522 0.160825 S\n0.746072 0.000420 0.210935 S\n",
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"elements": [
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],
"chemical_system": "Cu-Na-Nb-S",
"density": 2.666069856317152,
"density_atomic": 0.04331684105346863,
"volume": 1615.999650426833,
"volume_molar": 13.902539089973118,
"formula_full": "Na16 Nb4 Cu8 S42",
"formula_reduced": "Na8Nb2Cu4S21",
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"updated_at": "2021-11-28T01:37:42.548000Z",
"spacegroup": 18
},
{
"id": "mp-1194752",
"created_at": "2022-09-04T14:43:23.267557Z",
"structure_string": "Ca1 Al6 H12 S4 O28\n1.0\n11.493034 -3.528736 0.000000\n11.493034 3.528736 0.000000\n10.409597 0.000000 6.015156\nCa Al H S O\n1 6 12 4 28\ndirect\n0.500000 0.500000 0.500000 Ca\n0.249257 0.753634 0.249257 Al\n0.249257 0.249257 0.753634 Al\n0.753634 0.249257 0.249257 Al\n0.750743 0.246366 0.750743 Al\n0.750743 0.750743 0.246366 Al\n0.246366 0.750743 0.750743 Al\n0.865967 0.424270 0.865967 H\n0.865967 0.865967 0.424270 H\n0.424270 0.865967 0.865967 H\n0.134033 0.575730 0.134033 H\n0.134033 0.134033 0.575730 H\n0.575730 0.134033 0.134033 H\n0.358037 0.952754 0.358037 H\n0.358037 0.358037 0.952754 H\n0.952754 0.358037 0.358037 H\n0.641963 0.047246 0.641963 H\n0.641963 0.641963 0.047246 H\n0.047246 0.641963 0.641963 H\n0.155145 0.155145 0.155145 S\n0.844855 0.844855 0.844855 S\n0.650320 0.650320 0.650320 S\n0.349680 0.349680 0.349680 S\n0.198356 0.198356 0.198356 O\n0.801644 0.801644 0.801644 O\n0.693421 0.693421 0.693421 O\n0.306579 0.306579 0.306579 O\n0.750645 0.405072 0.750645 O\n0.750645 0.750645 0.405072 O\n0.405072 0.750645 0.750645 O\n0.249355 0.594928 0.249355 O\n0.249355 0.249355 0.594928 O\n0.594928 0.249355 0.249355 O\n0.255323 0.909985 0.255323 O\n0.255323 0.255323 0.909985 O\n0.909985 0.255323 0.255323 O\n0.744677 0.090015 0.744677 O\n0.744677 0.744677 0.090015 O\n0.090015 0.744677 0.744677 O\n0.943144 0.331971 0.943144 O\n0.943144 0.943144 0.331971 O\n0.331971 0.943144 0.943144 O\n0.056856 0.668029 0.056856 O\n0.056856 0.056856 0.668029 O\n0.668029 0.056856 0.056856 O\n0.443434 0.807001 0.443434 O\n0.443434 0.443434 0.807001 O\n0.807001 0.443434 0.443434 O\n0.556566 0.192999 0.556566 O\n0.556566 0.556566 0.192999 O\n0.192999 0.556566 0.556566 O\n",
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{
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{
"id": "mp-733612",
"created_at": "2022-09-04T14:44:50.243609Z",
"structure_string": "Rb4 H12 S8 O32\n1.0\n12.649791 0.000000 0.000000\n0.000000 7.513643 0.000000\n0.000000 0.303813 8.004072\nRb H S O\n4 12 8 32\ndirect\n0.933264 0.284784 0.657523 Rb\n0.433264 0.715216 0.842477 Rb\n0.066736 0.715216 0.342477 Rb\n0.566736 0.284784 0.157523 Rb\n0.253748 0.381359 0.119777 H\n0.753748 0.618641 0.380223 H\n0.746252 0.618641 0.880223 H\n0.246252 0.381359 0.619777 H\n0.660360 0.987001 0.727304 H\n0.160360 0.012999 0.772696 H\n0.339640 0.012999 0.272696 H\n0.839640 0.987001 0.227304 H\n0.455981 0.169184 0.608922 H\n0.955981 0.830816 0.891078 H\n0.544019 0.830816 0.391078 H\n0.044019 0.169184 0.108922 H\n0.194608 0.234349 0.335838 S\n0.694608 0.765651 0.164162 S\n0.805392 0.765651 0.664162 S\n0.305392 0.234349 0.835838 S\n0.611094 0.261685 0.667700 S\n0.111094 0.738315 0.832300 S\n0.388906 0.738315 0.332300 S\n0.888906 0.261685 0.167700 S\n0.124369 0.102198 0.262842 O\n0.624369 0.897802 0.237158 O\n0.875631 0.897802 0.737158 O\n0.375631 0.102198 0.762842 O\n0.152617 0.307935 0.489319 O\n0.652617 0.692065 0.010681 O\n0.847383 0.692065 0.510681 O\n0.347383 0.307935 0.989319 O\n0.303724 0.167413 0.358365 O\n0.803724 0.832587 0.141635 O\n0.696276 0.832587 0.641635 O\n0.196276 0.167413 0.858365 O\n0.199104 0.401168 0.209411 O\n0.699104 0.598832 0.290589 O\n0.800896 0.598832 0.790589 O\n0.300896 0.401168 0.709411 O\n0.703047 0.292785 0.564513 O\n0.203047 0.707215 0.935487 O\n0.296953 0.707215 0.435487 O\n0.796953 0.292785 0.064513 O\n0.572924 0.401843 0.769869 O\n0.072924 0.598157 0.730131 O\n0.427076 0.598157 0.230131 O\n0.927076 0.401843 0.269869 O\n0.626284 0.095654 0.788286 O\n0.126284 0.904346 0.711714 O\n0.373716 0.904346 0.211714 O\n0.873716 0.095654 0.288286 O\n0.521818 0.203987 0.542028 O\n0.021818 0.796013 0.957972 O\n0.478182 0.796013 0.457972 O\n0.978182 0.203987 0.042028 O\n",
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