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{
"id": "mp-1191511",
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"structure_string": "K8 Fe4 P8 O28\n1.0\n-0.000187 8.643025 5.738944\n8.643731 0.000390 -5.739852\n0.000212 8.643779 -5.740198\nK Fe P O\n8 4 8 28\ndirect\n0.568105 0.356080 0.575361 K\n0.068350 0.356411 0.075461 K\n0.575419 0.143874 0.068084 K\n0.075474 0.143500 0.568526 K\n0.068224 0.643622 0.788067 K\n0.568435 0.643914 0.288039 K\n0.788004 0.856325 0.568313 K\n0.288045 0.856167 0.068423 K\n0.999948 0.499836 0.500032 Fe\n0.499774 0.999891 0.500033 Fe\n0.499957 0.500093 0.000121 Fe\n0.000006 0.999988 0.000038 Fe\n0.690133 0.374256 0.184225 P\n0.190218 0.374356 0.684114 P\n0.683959 0.125519 0.690175 P\n0.184036 0.125743 0.190333 P\n0.441620 0.625620 0.684125 P\n0.941582 0.625745 0.184016 P\n0.184188 0.874321 0.441471 P\n0.684272 0.874434 0.941473 P\n0.264332 0.499986 0.735715 O\n0.764327 0.500057 0.235646 O\n0.735684 0.999983 0.764248 O\n0.235665 0.000028 0.264281 O\n0.822663 0.374577 0.052176 O\n0.322719 0.374899 0.551833 O\n0.551736 0.125016 0.822676 O\n0.051997 0.125354 0.322920 O\n0.573320 0.625022 0.552177 O\n0.073329 0.625469 0.051816 O\n0.052130 0.874671 0.573294 O\n0.552295 0.874941 0.073205 O\n0.840656 0.279533 0.586589 O\n0.340802 0.279632 0.086621 O\n0.586400 0.220407 0.341013 O\n0.086664 0.220402 0.840733 O\n0.133949 0.720418 0.438601 O\n0.633872 0.720457 0.938789 O\n0.438979 0.779597 0.633605 O\n0.938709 0.779640 0.133864 O\n0.438691 0.572684 0.840929 O\n0.938871 0.572680 0.340703 O\n0.340993 0.927417 0.438515 O\n0.841123 0.927512 0.938424 O\n0.586497 0.427331 0.133909 O\n0.086363 0.427388 0.634072 O\n0.633857 0.072468 0.586474 O\n0.133628 0.072738 0.086742 O\n",
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"formula_full": "K8 Fe4 P8 O28",
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"spacegroup": 113
},
{
"id": "mp-771012",
"created_at": "2022-09-04T14:41:48.104683Z",
"structure_string": "Na8 V4 As4 C4 O28\n1.0\n-0.000045 6.760966 0.000003\n0.301956 0.000003 10.731186\n9.054194 -0.000062 -5.338559\nNa V As C O\n8 4 4 4 28\ndirect\n0.499699 0.227732 0.217308 Na\n0.499695 0.727785 0.217313 Na\n0.000314 0.227735 0.217302 Na\n0.000314 0.727760 0.217313 Na\n0.500345 0.772267 0.782705 Na\n0.500295 0.272239 0.782679 Na\n0.999679 0.772281 0.782725 Na\n0.999728 0.272240 0.782684 Na\n0.750003 0.068795 0.344416 V\n0.250020 0.931137 0.655543 V\n0.749954 0.568766 0.344391 V\n0.249984 0.431241 0.655605 V\n0.249979 0.566209 0.423116 As\n0.250007 0.066246 0.423178 As\n0.749981 0.433791 0.576856 As\n0.750017 0.933748 0.576840 As\n0.749991 0.401358 0.077201 C\n0.750008 0.901405 0.077236 C\n0.250005 0.598650 0.922788 C\n0.250009 0.098591 0.922786 C\n0.250008 0.184362 0.056725 O\n0.250005 0.684402 0.056728 O\n0.750010 0.815656 0.943295 O\n0.750012 0.315595 0.943256 O\n0.749977 0.540761 0.133567 O\n0.750007 0.040812 0.133628 O\n0.249999 0.459242 0.866406 O\n0.250018 0.959200 0.866429 O\n0.749989 0.359715 0.177748 O\n0.750009 0.859746 0.177765 O\n0.250005 0.640299 0.822245 O\n0.250010 0.140232 0.822232 O\n0.749999 0.279798 0.410754 O\n0.749994 0.779782 0.410745 O\n0.249984 0.720164 0.589244 O\n0.250001 0.220237 0.589250 O\n0.249973 0.419660 0.450057 O\n0.250008 0.919677 0.450128 O\n0.749981 0.580337 0.549899 O\n0.750013 0.080323 0.549917 O\n0.047260 0.559791 0.321742 O\n0.047296 0.059778 0.321776 O\n0.452688 0.559791 0.321736 O\n0.452716 0.059775 0.321774 O\n0.547278 0.440229 0.678238 O\n0.547305 0.940211 0.678244 O\n0.952706 0.440237 0.678241 O\n0.952721 0.940212 0.678244 O\n",
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"formula_full": "Na8 V4 As4 C4 O28",
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"updated_at": "2021-11-28T01:35:25.601000Z",
"spacegroup": 11
},
{
"id": "mp-1210321",
"created_at": "2022-09-04T14:42:12.046071Z",
"structure_string": "Na12 Mn2 S8 O32\n1.0\n0.047049 0.000000 -8.421074\n0.000000 -9.400189 0.000000\n-9.189463 0.000000 3.972140\nNa Mn S O\n12 2 8 32\ndirect\n0.911110 0.848777 0.553018 Na\n0.088890 0.151223 0.446982 Na\n0.588890 0.348777 0.446982 Na\n0.411110 0.651223 0.553018 Na\n0.532236 0.984732 0.688582 Na\n0.467764 0.015268 0.311418 Na\n0.967764 0.484732 0.311418 Na\n0.032236 0.515268 0.688582 Na\n0.816507 0.362682 0.889298 Na\n0.183493 0.637318 0.110702 Na\n0.683493 0.862682 0.110702 Na\n0.316507 0.137318 0.889298 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.775075 0.693680 0.859086 S\n0.224925 0.306320 0.140914 S\n0.724925 0.193680 0.140914 S\n0.275075 0.806320 0.859086 S\n0.655170 0.648353 0.339702 S\n0.344830 0.351647 0.660298 S\n0.844830 0.148353 0.660298 S\n0.155170 0.851647 0.339702 S\n0.841815 0.811885 0.969285 O\n0.158185 0.188115 0.030715 O\n0.658185 0.311885 0.030715 O\n0.341815 0.688115 0.969285 O\n0.923088 0.604038 0.863321 O\n0.076912 0.395962 0.136679 O\n0.576912 0.104038 0.136679 O\n0.423088 0.895962 0.863321 O\n0.001834 0.915209 0.354649 O\n0.998166 0.084791 0.645351 O\n0.498166 0.415209 0.645351 O\n0.501834 0.584791 0.354649 O\n0.679895 0.755214 0.711727 O\n0.320105 0.244786 0.288273 O\n0.820105 0.255214 0.288273 O\n0.179895 0.744786 0.711727 O\n0.658941 0.604467 0.903657 O\n0.341058 0.395533 0.096343 O\n0.841059 0.104467 0.096343 O\n0.158942 0.895533 0.903657 O\n0.817992 0.604239 0.463959 O\n0.182008 0.395761 0.536041 O\n0.682008 0.104239 0.536041 O\n0.317992 0.895761 0.463959 O\n0.329150 0.403584 0.797117 O\n0.670850 0.596416 0.202883 O\n0.170850 0.903584 0.202883 O\n0.829150 0.096416 0.797117 O\n0.858742 0.306475 0.668272 O\n0.141258 0.693525 0.331728 O\n0.641258 0.806475 0.331728 O\n0.358742 0.193525 0.668272 O\n",
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],
"chemical_system": "Mn-Na-O-S",
"density": 2.641231199332051,
"density_atomic": 0.07441314280404657,
"volume": 725.6782601186345,
"volume_molar": 8.092845609085762,
"formula_full": "Na12 Mn2 S8 O32",
"formula_reduced": "Na6Mn(SO4)4",
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"updated_at": "2021-11-28T01:35:38.352000Z",
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{
"id": "mp-774247",
"created_at": "2022-09-04T14:46:42.598566Z",
"structure_string": "Na12 Fe4 B4 S4 O28\n1.0\n0.042827 6.921075 5.292699\n0.044745 -6.921204 5.293560\n9.009162 -0.000888 -5.194572\nNa Fe B S O\n12 4 4 4 28\ndirect\n0.531662 0.280169 0.064354 Na\n0.029249 0.780193 0.064688 Na\n0.968242 0.219336 0.935639 Na\n0.471281 0.720640 0.936279 Na\n0.732221 0.741377 0.235445 Na\n0.234645 0.243237 0.234685 Na\n0.491908 0.981382 0.234981 Na\n0.992491 0.484671 0.235089 Na\n0.008085 0.517834 0.764613 Na\n0.508233 0.017082 0.764480 Na\n0.768729 0.759638 0.765752 Na\n0.267821 0.258095 0.764045 Na\n0.423356 0.673663 0.336208 Fe\n0.076204 0.826488 0.663827 Fe\n0.929160 0.178539 0.338772 Fe\n0.576000 0.325886 0.662723 Fe\n0.774463 0.024632 0.066131 B\n0.273072 0.522813 0.061773 B\n0.726076 0.476242 0.936776 B\n0.227229 0.976879 0.937828 B\n0.692849 0.442767 0.419810 S\n0.191806 0.942128 0.419139 S\n0.805678 0.054978 0.579809 S\n0.307533 0.558420 0.579764 S\n0.314917 0.064438 0.087203 O\n0.812346 0.562493 0.086351 O\n0.185717 0.435373 0.912416 O\n0.688813 0.939241 0.915963 O\n0.927125 0.177749 0.137756 O\n0.425447 0.674438 0.133104 O\n0.574237 0.323790 0.864737 O\n0.075384 0.824713 0.867003 O\n0.717473 0.966874 0.162754 O\n0.216592 0.467285 0.160335 O\n0.782762 0.533452 0.839217 O\n0.282742 0.032872 0.839077 O\n0.568102 0.319276 0.451816 O\n0.067603 0.818076 0.451087 O\n0.929738 0.176820 0.546377 O\n0.432027 0.684015 0.549421 O\n0.665645 0.915335 0.437378 O\n0.169064 0.419961 0.435562 O\n0.833114 0.581460 0.562655 O\n0.330842 0.082051 0.561918 O\n0.596577 0.520243 0.330866 O\n0.093966 0.016944 0.328230 O\n0.767210 0.344120 0.329181 O\n0.268635 0.845115 0.329996 O\n0.730339 0.153639 0.669328 O\n0.229830 0.653567 0.669033 O\n0.902067 0.978760 0.670166 O\n0.403694 0.480811 0.668461 O\n",
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{
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"structure_string": "Rb4 Mo4 P8 O28\n1.0\n10.619962 0.000000 0.000000\n0.000000 7.697200 0.000000\n0.000000 2.394047 8.259832\nRb Mo P O\n4 4 8 28\ndirect\n0.819813 0.185753 0.441184 Rb\n0.319813 0.814247 0.058816 Rb\n0.180187 0.814247 0.558816 Rb\n0.680187 0.185753 0.941184 Rb\n0.101062 0.236612 0.742090 Mo\n0.601062 0.763388 0.757910 Mo\n0.898938 0.763388 0.257910 Mo\n0.398938 0.236612 0.242090 Mo\n0.399986 0.128057 0.674900 P\n0.899986 0.871943 0.825100 P\n0.600014 0.871943 0.325100 P\n0.100014 0.128057 0.174900 P\n0.134023 0.434831 0.308893 P\n0.634023 0.565169 0.191107 P\n0.865977 0.565169 0.691107 P\n0.365977 0.434831 0.808893 P\n0.274679 0.450386 0.264085 O\n0.774679 0.549614 0.235915 O\n0.725321 0.549614 0.735915 O\n0.225321 0.450386 0.764085 O\n0.002637 0.999062 0.278586 O\n0.502637 0.000938 0.221414 O\n0.997363 0.000938 0.721414 O\n0.497363 0.999062 0.778586 O\n0.104190 0.323694 0.480950 O\n0.604190 0.676306 0.019050 O\n0.895810 0.676306 0.519050 O\n0.395810 0.323694 0.980950 O\n0.093946 0.137991 0.997697 O\n0.593946 0.862009 0.502303 O\n0.906054 0.862009 0.002303 O\n0.406054 0.137991 0.497697 O\n0.434920 0.328014 0.691851 O\n0.934920 0.671986 0.808149 O\n0.565080 0.671986 0.308149 O\n0.065080 0.328014 0.191851 O\n0.268052 0.077000 0.748379 O\n0.768052 0.923000 0.751621 O\n0.731948 0.923000 0.251621 O\n0.231948 0.077000 0.248379 O\n0.423252 0.624414 0.761067 O\n0.923252 0.375586 0.738933 O\n0.576748 0.375586 0.238933 O\n0.076748 0.624414 0.261067 O\n",
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{
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"structure_string": "Li4 V4 P8 O28\n1.0\n10.239103 0.000000 0.000000\n0.000000 7.094580 0.000000\n0.000000 2.992704 7.523838\nLi V P O\n4 4 8 28\ndirect\n0.150136 0.629519 0.939348 Li\n0.349864 0.629519 0.439348 Li\n0.650136 0.370481 0.560652 Li\n0.849864 0.370481 0.060652 Li\n0.606404 0.730681 0.743300 V\n0.893596 0.730681 0.243300 V\n0.106404 0.269319 0.756700 V\n0.393596 0.269319 0.256700 V\n0.851014 0.971427 0.793887 P\n0.648986 0.971427 0.293887 P\n0.905768 0.638327 0.686193 P\n0.594232 0.638327 0.186193 P\n0.405768 0.361673 0.813807 P\n0.094232 0.361673 0.313807 P\n0.351014 0.028573 0.706113 P\n0.148986 0.028573 0.206113 P\n0.707435 0.001417 0.735564 O\n0.872240 0.819625 0.983348 O\n0.421685 0.828739 0.739891 O\n0.923717 0.872147 0.665668 O\n0.792565 0.001417 0.235564 O\n0.627760 0.819625 0.483348 O\n0.601659 0.627590 0.004644 O\n0.078315 0.828739 0.239891 O\n0.576283 0.872147 0.165668 O\n0.779279 0.559193 0.794075 O\n0.898341 0.627590 0.504644 O\n0.025259 0.526461 0.793660 O\n0.525259 0.473539 0.706340 O\n0.720721 0.559193 0.294075 O\n0.279279 0.440807 0.705925 O\n0.474741 0.526461 0.293660 O\n0.974741 0.473539 0.206340 O\n0.101659 0.372410 0.495356 O\n0.220721 0.440807 0.205925 O\n0.423717 0.127853 0.834332 O\n0.921685 0.171261 0.760109 O\n0.398341 0.372410 0.995356 O\n0.372240 0.180375 0.516652 O\n0.207435 0.998583 0.764436 O\n0.076283 0.127853 0.334332 O\n0.578315 0.171261 0.260109 O\n0.127760 0.180375 0.016652 O\n0.292565 0.998583 0.264436 O\n",
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{
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