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{
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"results": [
{
"id": "mp-780204",
"created_at": "2022-09-04T14:43:06.316040Z",
"structure_string": "Li2 Mn2 P8 H8 O28\n1.0\n2.461446 6.815665 0.064057\n-4.037151 0.618939 7.757109\n6.414361 1.095691 8.028813\nLi Mn P H O\n2 2 8 8 28\ndirect\n0.000038 0.999966 0.000113 Li\n0.999859 0.500307 0.499793 Li\n0.499771 0.499921 0.500017 Mn\n0.499808 0.999897 0.999902 Mn\n0.219655 0.985764 0.315411 P\n0.219566 0.485691 0.815602 P\n0.780509 0.014258 0.684427 P\n0.780467 0.514266 0.184552 P\n0.625688 0.917249 0.310375 P\n0.625664 0.417383 0.810401 P\n0.374304 0.082634 0.689648 P\n0.374380 0.582748 0.189519 P\n0.787626 0.166320 0.276091 H\n0.787684 0.666473 0.775991 H\n0.212361 0.833478 0.724050 H\n0.212431 0.333616 0.223908 H\n0.970657 0.835213 0.534916 H\n0.970614 0.335082 0.035050 H\n0.029479 0.164922 0.464975 H\n0.029522 0.664836 0.965134 H\n0.254364 0.979490 0.163841 O\n0.254489 0.479425 0.664044 O\n0.745678 0.020512 0.836001 O\n0.745522 0.520499 0.336186 O\n0.159443 0.142357 0.325851 O\n0.159355 0.642319 0.826014 O\n0.840614 0.857647 0.673929 O\n0.840563 0.357651 0.174149 O\n0.696634 0.935329 0.148270 O\n0.696373 0.435535 0.648303 O\n0.303462 0.064598 0.851752 O\n0.303481 0.564668 0.351619 O\n0.412510 0.261099 0.558027 O\n0.412851 0.761190 0.057801 O\n0.586603 0.738674 0.442296 O\n0.587466 0.238860 0.941977 O\n0.423929 0.983537 0.344139 O\n0.423675 0.483277 0.844520 O\n0.576289 0.016702 0.655635 O\n0.576318 0.516736 0.155616 O\n0.770715 0.035663 0.332914 O\n0.770765 0.535792 0.832830 O\n0.229246 0.964164 0.667214 O\n0.229290 0.464276 0.167097 O\n0.062128 0.814171 0.448193 O\n0.062058 0.314100 0.948288 O\n0.937977 0.185875 0.551724 O\n0.938121 0.685831 0.051891 O\n",
"nsites": 48,
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"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.4949259761427625,
"density_atomic": 0.08714289743666082,
"volume": 550.8194174389077,
"volume_molar": 6.910650135746461,
"formula_full": "Li2 Mn2 P8 H8 O28",
"formula_reduced": "LiMnP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy": -339.41607018,
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"updated_at": "2021-11-28T01:35:54.660000Z",
"spacegroup": 2
},
{
"id": "mp-1568351",
"created_at": "2022-09-04T14:42:53.267568Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n4.461791 4.144796 -4.516341\n-8.861797 0.000239 -4.363556\n-4.461949 4.144821 4.516205\nLi Cr P O\n4 4 8 28\ndirect\n0.925604 0.250001 0.925590 Li\n0.425561 0.750007 0.425633 Li\n0.074316 0.749997 0.074270 Li\n0.574270 0.249973 0.574337 Li\n0.683389 0.499951 0.183399 Cr\n0.817071 0.000018 0.316738 Cr\n0.183260 0.999903 0.683401 Cr\n0.316894 0.500027 0.816820 Cr\n0.220640 0.026824 0.279329 P\n0.720651 0.526834 0.779371 P\n0.279320 0.473187 0.220648 P\n0.779284 0.973168 0.720568 P\n0.972905 0.694453 0.527163 P\n0.472899 0.194453 0.027098 P\n0.527168 0.805552 0.972912 P\n0.027146 0.305552 0.472932 P\n0.264711 0.618574 0.235256 O\n0.764719 0.118563 0.735219 O\n0.235146 0.881418 0.264647 O\n0.735215 0.381436 0.764680 O\n0.841739 0.647595 0.658463 O\n0.341596 0.147560 0.158286 O\n0.658232 0.852434 0.841499 O\n0.158253 0.352433 0.341594 O\n0.498021 0.638484 0.002096 O\n0.998072 0.138466 0.502127 O\n0.002004 0.861553 0.497935 O\n0.502003 0.361539 0.997934 O\n0.176376 0.435269 0.011431 O\n0.676441 0.935250 0.511353 O\n0.511443 0.564799 0.676496 O\n0.011453 0.064794 0.176422 O\n0.323484 0.064717 0.488552 O\n0.823537 0.564724 0.988591 O\n0.988467 0.935180 0.823536 O\n0.488513 0.435221 0.323555 O\n0.329939 0.851471 0.865756 O\n0.829964 0.351528 0.365722 O\n0.170088 0.648527 0.634332 O\n0.670116 0.148496 0.134268 O\n0.365586 0.148434 0.829941 O\n0.865607 0.648370 0.329994 O\n0.134380 0.351612 0.670058 O\n0.634519 0.851653 0.170052 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.1365315773634292,
"density_atomic": 0.0892195993681049,
"volume": 493.16518244453755,
"volume_molar": 6.749795787754741,
"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -344.08209909000004,
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"updated_at": "2021-11-28T01:36:01.943000Z",
"spacegroup": 12
},
{
"id": "mp-769575",
"created_at": "2022-09-04T14:48:22.865700Z",
"structure_string": "Li6 Co5 P8 O28\n1.0\n6.354949 0.000000 0.000000\n-0.409596 8.465433 0.000000\n-0.056340 -3.074846 9.569971\nLi Co P O\n6 5 8 28\ndirect\n0.000000 0.500000 0.500000 Li\n0.019166 0.162463 0.609325 Li\n0.093066 0.606953 0.124155 Li\n0.500000 0.500000 0.500000 Li\n0.906934 0.393047 0.875845 Li\n0.980834 0.837537 0.390675 Li\n0.311056 0.886770 0.643951 Co\n0.357368 0.881851 0.060275 Co\n0.500000 0.500000 0.000000 Co\n0.642632 0.118149 0.939725 Co\n0.688944 0.113230 0.356049 Co\n0.151743 0.206512 0.017132 P\n0.187274 0.181141 0.311296 P\n0.263947 0.540157 0.738363 P\n0.475425 0.754163 0.320308 P\n0.524575 0.245837 0.679692 P\n0.736053 0.459843 0.261637 P\n0.812726 0.818859 0.688704 P\n0.848257 0.793488 0.982868 P\n0.043784 0.838795 0.078028 O\n0.017677 0.084733 0.369776 O\n0.069152 0.424686 0.723058 O\n0.079269 0.200613 0.168353 O\n0.222584 0.386390 0.027404 O\n0.237274 0.353415 0.409476 O\n0.257999 0.649012 0.640866 O\n0.299289 0.806712 0.423777 O\n0.336563 0.634181 0.888979 O\n0.326720 0.130339 0.650791 O\n0.326462 0.080641 0.969806 O\n0.392944 0.709220 0.166741 O\n0.384951 0.079858 0.260947 O\n0.458893 0.423119 0.668525 O\n0.541107 0.576881 0.331475 O\n0.615049 0.920142 0.739053 O\n0.607056 0.290780 0.833259 O\n0.673538 0.919359 0.030194 O\n0.673280 0.869661 0.349209 O\n0.663437 0.365819 0.111021 O\n0.700711 0.193288 0.576223 O\n0.742001 0.350988 0.359134 O\n0.762726 0.646585 0.590524 O\n0.777416 0.613610 0.972596 O\n0.920731 0.799387 0.831647 O\n0.930848 0.575314 0.276942 O\n0.982323 0.915267 0.630224 O\n0.956216 0.161205 0.921972 O\n",
"nsites": 47,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.328839142855233,
"density_atomic": 0.09129058493774254,
"volume": 514.8395098142114,
"volume_molar": 6.596672333852303,
"formula_full": "Li6 Co5 P8 O28",
"formula_reduced": "Li6Co5(P2O7)4",
"formula_anonymous": "A5B6C8D28",
"energy": -344.27677469,
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"updated_at": "2021-11-28T01:39:12.075000Z",
"spacegroup": 2
},
{
"id": "mp-1173713",
"created_at": "2022-09-04T14:47:14.539717Z",
"structure_string": "Na6 Pr2 Ti4 Nb4 O24\n1.0\n5.538990 0.000000 0.000000\n0.000000 5.619416 0.000000\n0.000000 0.000000 15.647103\nNa Pr Ti Nb O\n6 2 4 4 24\ndirect\n0.999560 0.992424 0.371629 Na\n0.999560 0.992424 0.878371 Na\n0.500440 0.492424 0.878371 Na\n0.500440 0.492424 0.371629 Na\n0.504967 0.529826 0.625000 Na\n0.995033 0.029826 0.625000 Na\n0.505371 0.537962 0.125000 Pr\n0.994629 0.037962 0.125000 Pr\n0.006619 0.520019 0.995629 Ti\n0.006619 0.520019 0.254371 Ti\n0.493381 0.020019 0.254371 Ti\n0.493381 0.020019 0.995629 Ti\n0.005147 0.520931 0.751179 Nb\n0.494853 0.020931 0.751179 Nb\n0.494853 0.020931 0.498821 Nb\n0.005147 0.520931 0.498821 Nb\n0.068914 0.474203 0.125000 O\n0.066427 0.475006 0.625000 O\n0.207651 0.202256 0.481470 O\n0.219947 0.207135 0.990138 O\n0.219947 0.207135 0.259862 O\n0.207651 0.202256 0.768530 O\n0.280053 0.707135 0.259862 O\n0.292349 0.702256 0.481470 O\n0.292349 0.702256 0.768530 O\n0.280053 0.707135 0.990138 O\n0.431086 0.974203 0.125000 O\n0.433573 0.975006 0.625000 O\n0.566196 0.003150 0.372221 O\n0.566196 0.003150 0.877779 O\n0.719384 0.264669 0.024453 O\n0.719384 0.264669 0.225547 O\n0.709613 0.280917 0.516311 O\n0.709613 0.280917 0.733689 O\n0.780616 0.764669 0.225547 O\n0.790387 0.780917 0.733689 O\n0.780616 0.764669 0.024453 O\n0.790387 0.780917 0.516311 O\n0.933804 0.503150 0.372221 O\n0.933804 0.503150 0.877779 O\n",
"nsites": 40,
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"elements": [
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"Nb",
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],
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"volume": 487.02999161647654,
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"formula_full": "Na6 Pr2 Ti4 Nb4 O24",
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"updated_at": "2021-11-28T01:37:56.780000Z",
"spacegroup": 26
},
{
"id": "mp-1044617",
"created_at": "2022-09-04T14:41:21.457461Z",
"structure_string": "Sb8 P8 O32\n1.0\n2.687858 9.271744 0.000000\n-2.687858 9.271744 0.000000\n0.000000 8.859947 15.835069\nSb P O\n8 8 32\ndirect\n0.366261 0.848310 0.997771 Sb\n0.151690 0.633739 0.502229 Sb\n0.633739 0.151690 0.002229 Sb\n0.000000 0.500000 0.000000 Sb\n0.848310 0.366261 0.497771 Sb\n0.724858 0.275142 0.750000 Sb\n0.275142 0.724858 0.250000 Sb\n0.500000 0.000000 0.500000 Sb\n0.475141 0.931127 0.138748 P\n0.718618 0.292528 0.386176 P\n0.524859 0.068873 0.861252 P\n0.292528 0.718618 0.886176 P\n0.931127 0.475141 0.638748 P\n0.068873 0.524859 0.361252 P\n0.281382 0.707472 0.613824 P\n0.707472 0.281382 0.113824 P\n0.225059 0.276047 0.899870 O\n0.548034 0.323367 0.082053 O\n0.276047 0.225059 0.399870 O\n0.539868 0.288091 0.456453 O\n0.650957 0.806731 0.930762 O\n0.604005 0.452891 0.302652 O\n0.711909 0.460132 0.043547 O\n0.011270 0.998414 0.878766 O\n0.460132 0.711909 0.543547 O\n0.676633 0.451966 0.417947 O\n0.619645 0.125963 0.877600 O\n0.962051 0.397909 0.727485 O\n0.451966 0.676633 0.917947 O\n0.998414 0.011270 0.378766 O\n0.774941 0.723953 0.100130 O\n0.380355 0.874037 0.122400 O\n0.397909 0.962051 0.227485 O\n0.288091 0.539868 0.956453 O\n0.125963 0.619645 0.377600 O\n0.037949 0.602091 0.272515 O\n0.001586 0.988730 0.621234 O\n0.806731 0.650957 0.430762 O\n0.988730 0.001586 0.121234 O\n0.452891 0.604005 0.802652 O\n0.323367 0.548034 0.582053 O\n0.723953 0.774941 0.600130 O\n0.602091 0.037949 0.772515 O\n0.193269 0.349043 0.569238 O\n0.349043 0.193269 0.069238 O\n0.547109 0.395995 0.197348 O\n0.395995 0.547109 0.697348 O\n0.874037 0.380355 0.622400 O\n",
"nsites": 48,
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"volume": 789.255666891545,
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"formula_full": "Sb8 P8 O32",
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"spacegroup": 15
},
{
"id": "mp-27033",
"created_at": "2022-09-04T14:43:15.518846Z",
"structure_string": "Li8 Sn4 P8 O28\n1.0\n6.348956 3.663147 0.000000\n-6.348956 3.663147 0.000000\n0.000000 0.161174 13.171615\nLi Sn P O\n8 4 8 28\ndirect\n0.746844 0.284811 0.494609 Li\n0.284811 0.746844 0.994609 Li\n0.739006 0.260994 0.250000 Li\n0.281281 0.718719 0.250000 Li\n0.718719 0.281281 0.750000 Li\n0.260994 0.739006 0.750000 Li\n0.715189 0.253156 0.005391 Li\n0.253156 0.715189 0.505391 Li\n0.667300 0.657292 0.378932 Sn\n0.657292 0.667300 0.878932 Sn\n0.342708 0.332700 0.121068 Sn\n0.332700 0.342708 0.621068 Sn\n0.707171 0.917560 0.114538 P\n0.917560 0.707171 0.614538 P\n0.895631 0.654477 0.144126 P\n0.654477 0.895631 0.644126 P\n0.345523 0.104369 0.355874 P\n0.104369 0.345523 0.855874 P\n0.082440 0.292829 0.385462 P\n0.292829 0.082440 0.885462 P\n0.912217 0.881570 0.122398 O\n0.881570 0.912217 0.622398 O\n0.613712 0.856013 0.006403 O\n0.856013 0.613712 0.506403 O\n0.842092 0.590075 0.257942 O\n0.590075 0.842092 0.757942 O\n0.552156 0.771544 0.195315 O\n0.771544 0.552156 0.695315 O\n0.709255 0.493556 0.078956 O\n0.315506 0.890053 0.382147 O\n0.493556 0.709255 0.578956 O\n0.890053 0.315506 0.882147 O\n0.847392 0.200850 0.370972 O\n0.200850 0.847392 0.870972 O\n0.799150 0.152608 0.129028 O\n0.152608 0.799150 0.629028 O\n0.109947 0.684494 0.117853 O\n0.506444 0.290745 0.421044 O\n0.684494 0.109947 0.617853 O\n0.290745 0.506444 0.921044 O\n0.228456 0.447844 0.304685 O\n0.447844 0.228456 0.804685 O\n0.409925 0.157908 0.242058 O\n0.157908 0.409925 0.742058 O\n0.143987 0.386288 0.493597 O\n0.386288 0.143987 0.993597 O\n0.118430 0.087783 0.377602 O\n0.087783 0.118430 0.877602 O\n",
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"volume_molar": 7.686618963027424,
"formula_full": "Li8 Sn4 P8 O28",
"formula_reduced": "Li2SnP2O7",
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"updated_at": "2021-11-28T01:36:02.465000Z",
"spacegroup": 15
},
{
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