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{
"id": "mp-1211715",
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"structure_string": "K8 Cr2 O8\n1.0\n-6.314626 -0.002981 -1.123018\n-0.007352 -0.002328 -9.607903\n-2.230819 -5.725054 -1.976253\nK Cr O\n8 2 8\ndirect\n0.222933 0.616385 0.962738 K\n0.776991 0.383625 0.037455 K\n0.249041 0.838349 0.411945 K\n0.750987 0.161671 0.588121 K\n0.752883 0.972595 0.232389 K\n0.247028 0.027426 0.767699 K\n0.726115 0.563352 0.486856 K\n0.273879 0.436665 0.513170 K\n0.272261 0.247764 0.156383 Cr\n0.727791 0.752216 0.843439 Cr\n0.955087 0.627557 0.706443 O\n0.044977 0.372420 0.293512 O\n0.444416 0.345332 0.862454 O\n0.555675 0.654679 0.137449 O\n0.550669 0.807820 0.665192 O\n0.449286 0.192182 0.334737 O\n0.870753 0.901342 0.836517 O\n0.129227 0.098619 0.163500 O\n",
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{
"id": "mp-760789",
"created_at": "2022-09-04T14:41:26.160353Z",
"structure_string": "Li14 V6 P16 O58\n1.0\n4.909061 8.553081 0.000000\n-4.909061 8.553081 0.000000\n0.000000 0.058358 13.861081\nLi V P O\n14 6 16 58\ndirect\n0.673108 0.234225 0.561804 Li\n0.234225 0.673108 0.061804 Li\n0.336795 0.331075 0.882997 Li\n0.331075 0.336795 0.382997 Li\n0.235901 0.096003 0.562278 Li\n0.903997 0.764099 0.937722 Li\n0.096003 0.235901 0.062278 Li\n0.764099 0.903997 0.437722 Li\n0.663205 0.668925 0.117003 Li\n0.668925 0.663205 0.617003 Li\n0.765775 0.326892 0.938196 Li\n0.326892 0.765775 0.438196 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.003718 0.563861 0.744566 V\n0.996282 0.436139 0.255434 V\n0.563861 0.003718 0.244566 V\n0.436139 0.996282 0.755434 V\n0.564894 0.435106 0.750000 V\n0.435106 0.564894 0.250000 V\n0.685145 0.223926 0.343886 P\n0.687967 0.086455 0.844267 P\n0.223926 0.685145 0.843886 P\n0.335731 0.328259 0.626007 P\n0.328259 0.335731 0.126007 P\n0.086455 0.687967 0.344267 P\n0.911413 0.772009 0.155974 P\n0.227991 0.088587 0.344026 P\n0.772009 0.911413 0.655974 P\n0.088587 0.227991 0.844026 P\n0.913545 0.312033 0.655733 P\n0.671741 0.664269 0.873993 P\n0.664269 0.671741 0.373993 P\n0.776074 0.314855 0.156114 P\n0.312033 0.913545 0.155733 P\n0.314855 0.776074 0.656114 P\n0.781414 0.228855 0.065762 O\n0.667752 0.251465 0.844842 O\n0.769111 0.000471 0.565868 O\n0.666570 0.077221 0.338542 O\n0.519305 0.370353 0.332630 O\n0.484198 0.328249 0.661712 O\n0.370353 0.519305 0.832630 O\n0.228855 0.781414 0.565762 O\n0.251465 0.667752 0.344842 O\n0.475161 0.186293 0.171452 O\n0.521613 0.105431 0.832678 O\n0.328249 0.484198 0.161712 O\n0.329548 0.325024 0.518116 O\n0.325024 0.329548 0.018116 O\n0.186293 0.475161 0.671452 O\n0.377387 0.102412 0.332096 O\n0.335427 0.180289 0.669021 O\n0.077221 0.666570 0.838542 O\n0.006593 0.784076 0.245803 O\n0.000471 0.769111 0.065868 O\n0.988229 0.785171 0.427140 O\n0.105431 0.521613 0.332678 O\n0.180289 0.335427 0.169021 O\n0.915085 0.746379 0.658718 O\n0.102412 0.377387 0.832096 O\n0.253621 0.084915 0.841282 O\n0.784076 0.006593 0.745803 O\n0.785171 0.988229 0.927140 O\n0.214829 0.011771 0.072860 O\n0.746379 0.915085 0.158718 O\n0.897588 0.622613 0.167904 O\n0.084915 0.253621 0.341282 O\n0.819711 0.664573 0.830979 O\n0.894569 0.478387 0.667322 O\n0.011771 0.214829 0.572860 O\n0.999529 0.230889 0.934132 O\n0.993407 0.215924 0.754197 O\n0.922779 0.333430 0.161458 O\n0.664573 0.819711 0.330979 O\n0.622613 0.897588 0.667904 O\n0.813707 0.524839 0.328548 O\n0.670452 0.674976 0.481884 O\n0.674976 0.670452 0.981884 O\n0.671751 0.515802 0.838288 O\n0.478387 0.894569 0.167322 O\n0.524839 0.813707 0.828548 O\n0.748535 0.332248 0.655158 O\n0.787595 0.212405 0.250000 O\n0.771145 0.218586 0.434238 O\n0.629647 0.480695 0.167370 O\n0.515802 0.671751 0.338288 O\n0.480695 0.629647 0.667370 O\n0.333430 0.922779 0.661458 O\n0.230889 0.999529 0.434132 O\n0.215924 0.993407 0.254197 O\n0.332248 0.748535 0.155158 O\n0.218586 0.771145 0.934238 O\n0.212405 0.787595 0.750000 O\n",
"nsites": 94,
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"elements": [
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],
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"density": 2.6054897513180237,
"density_atomic": 0.08075691924480627,
"volume": 1163.98694847495,
"volume_molar": 7.457120475020231,
"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
"energy": -707.3909407900001,
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"updated_at": "2021-11-28T01:35:20.943000Z",
"spacegroup": 15
},
{
"id": "mp-771487",
"created_at": "2022-09-04T14:46:20.853253Z",
"structure_string": "Na10 Mn4 P2 C8 O32\n1.0\n0.000000 7.075286 7.193400\n7.010207 0.000000 7.193400\n7.010207 7.075286 0.000000\nNa Mn P C O\n10 4 2 8 32\ndirect\n0.794819 0.794819 0.205181 Na\n0.791007 0.208993 0.791007 Na\n0.791365 0.208635 0.208635 Na\n0.542815 0.542815 0.957185 Na\n0.208635 0.791365 0.791365 Na\n0.539718 0.960282 0.960282 Na\n0.205181 0.205181 0.794819 Na\n0.208993 0.791007 0.208993 Na\n0.960282 0.539718 0.539718 Na\n0.957185 0.957185 0.542815 Na\n0.370327 0.376566 0.875836 Mn\n0.377271 0.875836 0.376566 Mn\n0.376566 0.370327 0.377271 Mn\n0.875836 0.377271 0.370327 Mn\n0.750000 0.750000 0.750000 P\n0.000000 0.000000 0.000000 P\n0.591103 0.593189 0.587798 C\n0.523536 0.163643 0.152925 C\n0.152925 0.159895 0.523536 C\n0.163643 0.523536 0.159895 C\n0.587798 0.227911 0.591103 C\n0.593189 0.591103 0.227911 C\n0.227911 0.587798 0.593189 C\n0.159895 0.152925 0.163643 C\n0.734708 0.476487 0.566300 O\n0.529562 0.023152 0.174729 O\n0.567766 0.726349 0.467150 O\n0.521519 0.279998 0.012156 O\n0.479014 0.573160 0.728673 O\n0.812074 0.561025 0.808371 O\n0.818529 0.808371 0.561025 O\n0.526258 0.190165 0.266112 O\n0.190165 0.526258 0.017465 O\n0.266112 0.017465 0.526258 O\n0.808371 0.818529 0.812074 O\n0.561025 0.812074 0.818529 O\n0.573160 0.479014 0.219153 O\n0.728673 0.219153 0.479014 O\n0.279998 0.521519 0.186327 O\n0.012156 0.186327 0.521519 O\n0.726349 0.567766 0.238735 O\n0.467150 0.238735 0.567766 O\n0.174729 0.272556 0.529562 O\n0.023152 0.529562 0.272556 O\n0.190000 0.933860 0.938691 O\n0.937449 0.938691 0.933860 O\n0.476487 0.734708 0.222505 O\n0.566300 0.222505 0.734708 O\n0.222505 0.566300 0.476487 O\n0.938691 0.937449 0.190000 O\n0.933860 0.190000 0.937449 O\n0.272556 0.174729 0.023152 O\n0.238735 0.467150 0.726349 O\n0.186327 0.012156 0.279998 O\n0.219153 0.728673 0.573160 O\n0.017465 0.266112 0.190165 O\n",
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"elements": [
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],
"chemical_system": "C-Mn-Na-O-P",
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"formula_full": "Na10 Mn4 P2 C8 O32",
"formula_reduced": "Na5Mn2P(CO4)4",
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"updated_at": "2021-11-28T01:37:27.767000Z",
"spacegroup": 22
},
{
"id": "mp-707540",
"created_at": "2022-09-04T14:42:04.203103Z",
"structure_string": "Zr4 P8 H8 O32\n1.0\n-5.751871 5.751871 5.455020\n5.751871 -5.751871 5.455020\n5.751871 5.751871 -5.455020\nZr P H O\n4 8 8 32\ndirect\n0.755003 0.255003 0.500000 Zr\n0.255003 0.755003 0.500000 Zr\n0.505003 0.505003 0.000000 Zr\n0.005003 0.005003 0.000000 Zr\n0.465036 0.807102 0.267118 P\n0.965036 0.697917 0.657933 P\n0.447917 0.215036 0.157933 P\n0.557102 0.715036 0.767118 P\n0.539984 0.197917 0.732882 P\n0.039984 0.307102 0.342067 P\n0.057102 0.289984 0.842067 P\n0.947917 0.789984 0.232882 P\n0.218380 0.680009 0.052091 H\n0.718380 0.666289 0.538371 H\n0.416289 0.968380 0.038371 H\n0.430009 0.468380 0.552091 H\n0.627918 0.166289 0.947909 H\n0.127918 0.180009 0.461629 H\n0.930009 0.377918 0.961629 H\n0.916289 0.877918 0.447909 H\n0.322235 0.792676 0.116974 O\n0.822235 0.705261 0.529558 O\n0.455261 0.072235 0.029558 O\n0.542676 0.572235 0.616974 O\n0.675702 0.205261 0.883026 O\n0.175702 0.292676 0.470442 O\n0.042676 0.425702 0.970442 O\n0.955261 0.925702 0.383026 O\n0.606805 0.991623 0.357492 O\n0.106805 0.749314 0.615182 O\n0.499314 0.356805 0.115182 O\n0.741623 0.856805 0.857492 O\n0.634132 0.249314 0.642508 O\n0.134132 0.491623 0.384818 O\n0.241623 0.384132 0.884818 O\n0.999314 0.884132 0.142508 O\n0.573180 0.270018 0.332496 O\n0.073180 0.740684 0.303162 O\n0.490684 0.323180 0.803162 O\n0.020018 0.823180 0.832496 O\n0.937522 0.240684 0.667504 O\n0.437522 0.770018 0.696838 O\n0.520018 0.687522 0.196838 O\n0.990684 0.187522 0.167504 O\n0.893899 0.518801 0.634197 O\n0.393899 0.759702 0.375098 O\n0.509702 0.643899 0.875098 O\n0.268801 0.143899 0.134197 O\n0.884604 0.259702 0.365803 O\n0.384604 0.018801 0.624902 O\n0.768801 0.634604 0.124902 O\n0.009702 0.134604 0.865803 O\n",
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"formula_full": "Zr4 P8 H8 O32",
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{
"id": "mp-1101480",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.279737 5.228877 0.000000\n-6.279737 5.228877 0.000000\n0.000000 4.882179 9.040349\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.269334 0.981197 0.753561 Na\n0.981197 0.269334 0.753561 Na\n0.509962 0.757782 0.234102 Na\n0.757782 0.509962 0.234102 Na\n0.935726 0.935726 0.651257 Mn\n0.441113 0.441113 0.666470 Mn\n0.561929 0.061289 0.342827 Mn\n0.061289 0.561929 0.342827 Mn\n0.201229 0.698573 0.568888 P\n0.698573 0.201229 0.568888 P\n0.305498 0.305498 0.430202 P\n0.796541 0.796541 0.432698 P\n0.781569 0.781569 0.917272 C\n0.272202 0.272202 0.932761 C\n0.719290 0.220670 0.076986 C\n0.220670 0.719290 0.076986 C\n0.306344 0.797742 0.942899 O\n0.797742 0.306344 0.942899 O\n0.414778 0.414778 0.870853 O\n0.925286 0.925286 0.852413 O\n0.735776 0.735776 0.818690 O\n0.230877 0.230877 0.826720 O\n0.268553 0.576576 0.675306 O\n0.094973 0.788850 0.664571 O\n0.788850 0.094973 0.664571 O\n0.576576 0.268553 0.675306 O\n0.157687 0.157687 0.574296 O\n0.575591 0.073968 0.526818 O\n0.073968 0.575591 0.526818 O\n0.651543 0.651543 0.575818 O\n0.353209 0.840814 0.426856 O\n0.431957 0.431957 0.470905 O\n0.922651 0.922651 0.472129 O\n0.840814 0.353209 0.426856 O\n0.226936 0.421680 0.330204 O\n0.421680 0.226936 0.330204 O\n0.713972 0.905776 0.330438 O\n0.905776 0.713972 0.330438 O\n0.764391 0.263143 0.178909 O\n0.263143 0.764391 0.178909 O\n0.578609 0.075102 0.141614 O\n0.075102 0.578609 0.141614 O\n0.701516 0.701516 0.053608 O\n0.187790 0.187790 0.065957 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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"spacegroup": 8
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{
"id": "mp-583463",
"created_at": "2022-09-04T14:43:00.332001Z",
"structure_string": "Fe6 Cl18\n1.0\n3.093793 -5.358607 0.000000\n3.093793 5.358607 0.000000\n0.000000 0.000000 18.704710\nFe Cl\n6 18\ndirect\n0.333333 0.666667 0.666607 Fe\n0.666667 0.333333 0.335894 Fe\n0.333333 0.666667 0.333393 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.664106 Fe\n0.333333 0.666667 0.000000 Fe\n0.033180 0.333282 0.926141 Cl\n0.999216 0.366804 0.260639 Cl\n0.367588 0.000784 0.260639 Cl\n0.633196 0.000784 0.739361 Cl\n0.033180 0.699898 0.073859 Cl\n0.999216 0.632412 0.739361 Cl\n0.300102 0.333282 0.073859 Cl\n0.300102 0.966820 0.926141 Cl\n0.367588 0.366804 0.739361 Cl\n0.363694 0.364448 0.408082 Cl\n0.633196 0.632412 0.260639 Cl\n0.666718 0.966820 0.073859 Cl\n0.635552 0.999245 0.408082 Cl\n0.000755 0.364448 0.591918 Cl\n0.000755 0.636306 0.408082 Cl\n0.363694 0.999245 0.591918 Cl\n0.666718 0.699898 0.926141 Cl\n0.635552 0.636306 0.591918 Cl\n",
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"elements": [
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{
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{
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{
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"structure_string": "Li16 Mn4 P8 O32\n1.0\n10.472988 0.000000 0.000000\n0.000000 8.245649 0.000000\n0.000000 2.081331 8.047441\nLi Mn P O\n16 4 8 32\ndirect\n0.336922 0.099514 0.401784 Li\n0.837198 0.154479 0.347107 Li\n0.572992 0.227930 0.521406 Li\n0.651375 0.151402 0.846994 Li\n0.151375 0.348598 0.153006 Li\n0.072992 0.272070 0.478594 Li\n0.337198 0.345521 0.652893 Li\n0.836922 0.400486 0.598216 Li\n0.163078 0.599514 0.401784 Li\n0.662802 0.654479 0.347107 Li\n0.927008 0.727930 0.521406 Li\n0.848625 0.651402 0.846994 Li\n0.348625 0.848598 0.153006 Li\n0.427008 0.772070 0.478594 Li\n0.162802 0.845521 0.652893 Li\n0.663078 0.900486 0.598216 Li\n0.156076 0.092127 0.908348 Mn\n0.656076 0.407873 0.091652 Mn\n0.343924 0.592127 0.908348 Mn\n0.843924 0.907873 0.091652 Mn\n0.408876 0.969117 0.766692 P\n0.093198 0.973185 0.294178 P\n0.593198 0.526815 0.705822 P\n0.091124 0.469117 0.766692 P\n0.591124 0.030883 0.233308 P\n0.906802 0.026815 0.705822 P\n0.406802 0.473185 0.294178 P\n0.908876 0.530883 0.233308 P\n0.050367 0.990291 0.751588 O\n0.346768 0.910745 0.620022 O\n0.398491 0.823883 0.928775 O\n0.451235 0.977375 0.277185 O\n0.949633 0.009709 0.248412 O\n0.653232 0.089255 0.379978 O\n0.601509 0.176117 0.071225 O\n0.548765 0.022625 0.722815 O\n0.152557 0.127265 0.342170 O\n0.832144 0.060899 0.856777 O\n0.332422 0.120361 0.798460 O\n0.899240 0.186386 0.559520 O\n0.399240 0.313614 0.440480 O\n0.832422 0.379639 0.201540 O\n0.332144 0.439101 0.143223 O\n0.652557 0.372735 0.657830 O\n0.048765 0.477375 0.277185 O\n0.101509 0.323883 0.928775 O\n0.153232 0.410745 0.620022 O\n0.550367 0.509709 0.248412 O\n0.449633 0.490291 0.751588 O\n0.846768 0.589255 0.379978 O\n0.898491 0.676117 0.071225 O\n0.951235 0.522625 0.722815 O\n0.347443 0.627265 0.342170 O\n0.667856 0.560899 0.856777 O\n0.167578 0.620361 0.798460 O\n0.600760 0.686386 0.559520 O\n0.100760 0.813614 0.440480 O\n0.667578 0.879639 0.201540 O\n0.167856 0.939101 0.143223 O\n0.847443 0.872735 0.657830 O\n",
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{
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"structure_string": "Li4 Cr2 Si6 O16\n1.0\n-1.977510 6.338295 -0.000182\n0.000077 -0.000212 8.133045\n6.999812 -0.396791 0.000075\nLi Cr Si O\n4 2 6 16\ndirect\n0.803724 0.333152 0.241543 Li\n0.196417 0.833127 0.758487 Li\n0.607316 0.812205 0.571410 Li\n0.392623 0.312215 0.428484 Li\n0.983788 0.493376 0.640120 Cr\n0.016136 0.993452 0.360048 Cr\n0.405980 0.537822 0.058980 Si\n0.594059 0.037843 0.941021 Si\n0.228697 0.174131 0.044458 Si\n0.771300 0.674157 0.955513 Si\n0.192997 0.654850 0.342521 Si\n0.806960 0.154856 0.657444 Si\n0.998210 0.722390 0.134352 O\n0.001788 0.222320 0.865630 O\n0.341232 0.041430 0.932280 O\n0.658799 0.541418 0.067714 O\n0.376734 0.341683 0.097230 O\n0.623235 0.841692 0.902742 O\n0.763162 0.109074 0.146551 O\n0.236931 0.609110 0.853523 O\n0.406206 0.631791 0.269193 O\n0.593772 0.131852 0.730781 O\n0.224440 0.116140 0.260150 O\n0.775536 0.616162 0.739847 O\n0.134898 0.477595 0.419973 O\n0.865081 0.977598 0.580036 O\n0.243332 0.809437 0.499742 O\n0.756646 0.309425 0.500229 O\n",
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{
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{
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]
}