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{
"id": "mp-1203216",
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"structure_string": "Na4 Co2 H24 S4 O28\n1.0\n12.084415 0.000000 0.000000\n0.000000 5.944262 0.000000\n0.000000 1.926162 8.636245\nNa Co H S O\n4 2 24 4 28\ndirect\n0.648888 0.334647 0.350085 Na\n0.148888 0.665353 0.149915 Na\n0.351112 0.665353 0.649915 Na\n0.851112 0.334647 0.850085 Na\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.432898 0.337055 0.115037 H\n0.932898 0.662945 0.384963 H\n0.567102 0.662945 0.884963 H\n0.067102 0.337055 0.615037 H\n0.352257 0.346588 0.966386 H\n0.852257 0.653412 0.533614 H\n0.647743 0.653412 0.033614 H\n0.147743 0.346588 0.466386 H\n0.413374 0.668481 0.219671 H\n0.913374 0.331519 0.280329 H\n0.586626 0.331519 0.780329 H\n0.086626 0.668481 0.719671 H\n0.373516 0.904068 0.256722 H\n0.873516 0.095932 0.243278 H\n0.626484 0.095932 0.743278 H\n0.126484 0.904068 0.756722 H\n0.609067 0.917874 0.274662 H\n0.109067 0.082126 0.225338 H\n0.390933 0.082126 0.725338 H\n0.890933 0.917874 0.774662 H\n0.694154 0.021966 0.142554 H\n0.194154 0.978034 0.357446 H\n0.305846 0.978034 0.857446 H\n0.805846 0.021966 0.642554 H\n0.361786 0.282922 0.419235 S\n0.861786 0.717078 0.080765 S\n0.638214 0.717078 0.580765 S\n0.138214 0.282922 0.919235 S\n0.426996 0.298968 0.011501 O\n0.926996 0.701032 0.488499 O\n0.573004 0.701032 0.988499 O\n0.073004 0.298968 0.511501 O\n0.385709 0.824422 0.170593 O\n0.885709 0.175578 0.329407 O\n0.614291 0.175578 0.829407 O\n0.114291 0.824422 0.670593 O\n0.619757 0.048612 0.182656 O\n0.119757 0.951388 0.317344 O\n0.380243 0.951388 0.817344 O\n0.880243 0.048612 0.682656 O\n0.334324 0.036527 0.419032 O\n0.834324 0.963473 0.080968 O\n0.665676 0.963473 0.580968 O\n0.165676 0.036527 0.919032 O\n0.448929 0.368881 0.300043 O\n0.948929 0.631119 0.199957 O\n0.551071 0.631119 0.699957 O\n0.051071 0.368881 0.800043 O\n0.261851 0.432254 0.379267 O\n0.761851 0.567746 0.120733 O\n0.738149 0.567746 0.620733 O\n0.238149 0.432254 0.879267 O\n0.403040 0.300620 0.574629 O\n0.903040 0.699380 0.925371 O\n0.596960 0.699380 0.425371 O\n0.096960 0.300620 0.074629 O\n",
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"formula_full": "Na4 Co2 H24 S4 O28",
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"spacegroup": 14
},
{
"id": "mp-1043568",
"created_at": "2022-09-04T14:42:21.960129Z",
"structure_string": "Ta4 P4 O20\n1.0\n0.000000 6.157914 8.375183\n3.581515 0.000000 8.375183\n3.581515 6.157914 0.000000\nTa P O\n4 4 20\ndirect\n0.875002 0.379638 0.382966 Ta\n0.362393 0.382966 0.379638 Ta\n0.870362 0.374998 0.887607 Ta\n0.867034 0.887607 0.374998 Ta\n0.029104 0.541613 0.969364 P\n0.708387 0.220896 0.790080 P\n0.459920 0.969364 0.541613 P\n0.280636 0.790080 0.220896 P\n0.601489 0.721985 0.441949 O\n0.659502 0.177365 0.332053 O\n0.308653 0.648412 0.391752 O\n0.808051 0.015422 0.648511 O\n0.216121 0.103536 0.750122 O\n0.423636 0.112887 0.371320 O\n0.072635 0.590498 0.418920 O\n0.831080 0.332053 0.177365 O\n0.917947 0.418920 0.590498 O\n0.146464 0.033879 0.319779 O\n0.234578 0.441949 0.721985 O\n0.499878 0.319779 0.033879 O\n0.930221 0.750122 0.103536 O\n0.137113 0.826364 0.157842 O\n0.092158 0.371320 0.112887 O\n0.878680 0.157842 0.826364 O\n0.858248 0.598817 0.941347 O\n0.651183 0.391752 0.648412 O\n0.528015 0.648511 0.015422 O\n0.601588 0.941347 0.598817 O\n",
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],
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"formula_full": "Ta4 P4 O20",
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},
{
"id": "mp-758527",
"created_at": "2022-09-04T14:42:10.387845Z",
"structure_string": "K12 Er4 Si12 H8 O40\n1.0\n5.934547 0.000000 0.000000\n0.000000 13.241064 0.000000\n0.000000 0.000000 13.749036\nK Er Si H O\n12 4 12 8 40\ndirect\n0.418789 0.125528 0.750000 K\n0.089172 0.138488 0.513804 K\n0.089172 0.138488 0.986196 K\n0.589172 0.361512 0.486196 K\n0.589172 0.361512 0.013804 K\n0.918789 0.374472 0.250000 K\n0.081211 0.625528 0.750000 K\n0.410828 0.638488 0.986196 K\n0.410828 0.638488 0.513804 K\n0.910828 0.861512 0.013804 K\n0.910828 0.861512 0.486196 K\n0.581211 0.874472 0.250000 K\n0.090941 0.041932 0.250000 Er\n0.590942 0.458068 0.750000 Er\n0.409058 0.541932 0.250000 Er\n0.909058 0.958068 0.750000 Er\n0.591721 0.099355 0.105337 Si\n0.591721 0.099355 0.394663 Si\n0.916904 0.245658 0.750000 Si\n0.416904 0.254342 0.250000 Si\n0.091721 0.400645 0.605337 Si\n0.091721 0.400645 0.894663 Si\n0.908279 0.599355 0.105337 Si\n0.908279 0.599355 0.394663 Si\n0.583096 0.745658 0.750000 Si\n0.083096 0.754342 0.250000 Si\n0.408279 0.900645 0.894663 Si\n0.408279 0.900645 0.605337 Si\n0.613394 0.069640 0.559381 H\n0.613394 0.069640 0.940619 H\n0.113394 0.430360 0.059381 H\n0.113394 0.430360 0.440619 H\n0.886606 0.569640 0.940619 H\n0.886606 0.569640 0.559381 H\n0.386606 0.930360 0.059381 H\n0.386606 0.930360 0.440619 H\n0.371608 0.030379 0.131973 O\n0.371608 0.030379 0.368027 O\n0.829964 0.046588 0.132596 O\n0.829964 0.046588 0.367404 O\n0.928712 0.124193 0.750000 O\n0.591299 0.129303 0.513983 O\n0.591299 0.129303 0.986017 O\n0.168220 0.205458 0.250000 O\n0.566301 0.214417 0.153464 O\n0.566301 0.214417 0.346536 O\n0.066301 0.285583 0.653464 O\n0.066301 0.285583 0.846536 O\n0.668220 0.294542 0.750000 O\n0.091299 0.370697 0.486017 O\n0.091299 0.370697 0.013983 O\n0.428712 0.375807 0.250000 O\n0.329964 0.453412 0.632596 O\n0.329964 0.453412 0.867404 O\n0.871608 0.469621 0.631973 O\n0.871608 0.469621 0.868027 O\n0.128392 0.530379 0.131973 O\n0.128392 0.530379 0.368027 O\n0.670036 0.546588 0.132596 O\n0.670036 0.546588 0.367404 O\n0.571288 0.624193 0.750000 O\n0.908701 0.629303 0.986017 O\n0.908701 0.629303 0.513983 O\n0.331780 0.705458 0.250000 O\n0.933699 0.714417 0.153464 O\n0.933699 0.714417 0.346536 O\n0.433699 0.785583 0.653464 O\n0.433699 0.785583 0.846536 O\n0.831780 0.794542 0.750000 O\n0.408701 0.870697 0.013983 O\n0.408701 0.870697 0.486017 O\n0.071288 0.875807 0.250000 O\n0.170036 0.953412 0.632596 O\n0.170036 0.953412 0.867404 O\n0.628392 0.969621 0.631973 O\n0.628392 0.969621 0.868027 O\n",
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"elements": [
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"density": 3.263426892374317,
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"volume": 1080.395352925771,
"volume_molar": 8.560911699695884,
"formula_full": "K12 Er4 Si12 H8 O40",
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"spacegroup": 62
},
{
"id": "mp-857349",
"created_at": "2022-09-04T14:42:08.170981Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000088 -0.000249 5.126855\n8.233314 -0.000143 -0.000144\n-0.000153 9.137884 -0.000441\nLi Mn P O\n4 4 4 16\ndirect\n0.911875 0.057409 0.603324 Li\n0.411888 0.442558 0.103292 Li\n0.911931 0.557369 0.896704 Li\n0.411874 0.942622 0.396743 Li\n0.515995 0.335832 0.525382 Mn\n0.515928 0.835863 0.974537 Mn\n0.015949 0.164084 0.025401 Mn\n0.015987 0.664115 0.474596 Mn\n0.566171 0.232469 0.862979 P\n0.066123 0.267541 0.362942 P\n0.566165 0.732479 0.637014 P\n0.066221 0.767532 0.137057 P\n0.655288 0.073167 0.943519 O\n0.155286 0.426844 0.443512 O\n0.655302 0.573191 0.556441 O\n0.155365 0.926814 0.056478 O\n0.198773 0.129227 0.453925 O\n0.698831 0.370764 0.953984 O\n0.198873 0.629201 0.046104 O\n0.698829 0.870786 0.546064 O\n0.267606 0.252701 0.863364 O\n0.767576 0.247359 0.363251 O\n0.267618 0.752690 0.636647 O\n0.767657 0.747344 0.136722 O\n0.676132 0.222623 0.704878 O\n0.176219 0.277414 0.204873 O\n0.676208 0.722572 0.795122 O\n0.176330 0.777429 0.295146 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "mp-541990",
"created_at": "2022-09-04T14:42:23.916299Z",
"structure_string": "Sr4 Mn8 P8 O32\n1.0\n8.979174 0.000000 0.000000\n0.051420 9.209364 0.000000\n0.103986 3.295165 8.612522\nSr Mn P O\n4 8 8 32\ndirect\n0.256763 0.797808 0.191511 Sr\n0.743237 0.202192 0.808489 Sr\n0.249618 0.388208 0.609134 Sr\n0.750382 0.611792 0.390866 Sr\n0.071463 0.992591 0.752155 Mn\n0.928537 0.007409 0.247845 Mn\n0.238344 0.626671 0.876538 Mn\n0.761656 0.373329 0.123462 Mn\n0.610120 0.745159 0.982692 Mn\n0.389880 0.254841 0.017308 Mn\n0.716057 0.894017 0.610855 Mn\n0.283943 0.105983 0.389145 Mn\n0.070718 0.780849 0.530294 P\n0.929282 0.219151 0.469706 P\n0.061637 0.255037 0.946072 P\n0.938363 0.744963 0.053928 P\n0.426563 0.468806 0.224856 P\n0.573437 0.531194 0.775144 P\n0.419490 0.044488 0.766014 P\n0.580510 0.955512 0.233986 P\n0.108519 0.623956 0.521121 O\n0.891481 0.376044 0.478879 O\n0.901198 0.820403 0.496527 O\n0.098802 0.179597 0.503473 O\n0.112204 0.791895 0.689540 O\n0.887796 0.208105 0.310460 O\n0.844439 0.088551 0.604224 O\n0.155561 0.911449 0.395776 O\n0.092048 0.679890 0.032321 O\n0.907952 0.320110 0.967679 O\n0.109826 0.115249 0.090631 O\n0.890174 0.884751 0.909369 O\n0.048852 0.204101 0.802351 O\n0.951148 0.795899 0.197649 O\n0.186738 0.381236 0.907716 O\n0.813262 0.618764 0.092284 O\n0.352899 0.524697 0.346870 O\n0.647101 0.475303 0.653130 O\n0.406419 0.566608 0.740141 O\n0.593581 0.433392 0.259859 O\n0.654959 0.676872 0.784325 O\n0.345041 0.323128 0.215675 O\n0.409426 0.604620 0.061088 O\n0.590574 0.395380 0.938912 O\n0.387997 0.109516 0.590487 O\n0.612003 0.890484 0.409513 O\n0.576379 0.963599 0.794141 O\n0.423621 0.036401 0.205859 O\n0.296808 0.930592 0.860781 O\n0.703192 0.069408 0.139219 O\n0.568732 0.813488 0.179632 O\n0.431268 0.186512 0.820368 O\n",
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"formula_full": "Sr4 Mn8 P8 O32",
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{
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"structure_string": "Dy12 Se12 N4\n1.0\n3.950166 0.000000 0.000000\n0.000000 12.572500 0.000000\n0.000000 0.000000 13.221395\nDy Se N\n12 12 4\ndirect\n0.750000 0.797364 0.857417 Dy\n0.750000 0.957847 0.149985 Dy\n0.750000 0.437607 0.865892 Dy\n0.750000 0.297364 0.642583 Dy\n0.750000 0.457847 0.350015 Dy\n0.250000 0.062393 0.365892 Dy\n0.250000 0.562393 0.134108 Dy\n0.250000 0.202636 0.142583 Dy\n0.250000 0.702636 0.357417 Dy\n0.250000 0.042153 0.850015 Dy\n0.250000 0.542153 0.649985 Dy\n0.750000 0.937607 0.634108 Dy\n0.750000 0.403347 0.101916 Se\n0.250000 0.369801 0.505833 Se\n0.750000 0.130199 0.005833 Se\n0.250000 0.869801 0.994167 Se\n0.250000 0.275370 0.812125 Se\n0.750000 0.630199 0.494167 Se\n0.750000 0.903347 0.398084 Se\n0.250000 0.096653 0.601916 Se\n0.750000 0.724630 0.187875 Se\n0.750000 0.224630 0.312125 Se\n0.250000 0.596653 0.898084 Se\n0.250000 0.775370 0.687875 Se\n0.750000 0.463854 0.702993 N\n0.750000 0.963854 0.797007 N\n0.250000 0.036146 0.202993 N\n0.250000 0.536146 0.297007 N\n",
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{
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"structure_string": "Pt4 I12\n1.0\n6.170223 3.547114 0.000000\n-6.170223 3.547114 0.000000\n0.000000 2.671678 13.297955\nPt I\n4 12\ndirect\n0.903284 0.096716 0.250000 Pt\n0.096716 0.903284 0.750000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.191456 0.069915 0.358685 I\n0.930085 0.808544 0.141315 I\n0.808544 0.930085 0.641315 I\n0.069915 0.191456 0.858685 I\n0.161002 0.653481 0.620188 I\n0.346519 0.838998 0.879812 I\n0.838998 0.346519 0.379812 I\n0.653481 0.161002 0.120188 I\n0.760350 0.555651 0.876312 I\n0.444349 0.239650 0.623688 I\n0.239650 0.444349 0.123688 I\n0.555651 0.760349 0.376312 I\n",
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