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{
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{
"id": "mp-1147693",
"created_at": "2022-09-04T14:42:27.842002Z",
"structure_string": "Li10 Zn1 P4 S16\n1.0\n6.500152 0.000000 0.000000\n0.149859 9.998954 0.000000\n0.039442 2.561195 9.783047\nLi Zn P S\n10 1 4 16\ndirect\n0.305158 0.105553 0.133026 Li\n0.664869 0.366197 0.891673 Li\n0.699492 0.882350 0.373244 Li\n0.968049 0.680635 0.129299 Li\n0.675271 0.110920 0.631955 Li\n0.316966 0.863380 0.889679 Li\n0.319118 0.385770 0.367783 Li\n0.132764 0.241744 0.748631 Li\n0.832212 0.743186 0.771901 Li\n0.848584 0.257132 0.247288 Li\n0.301273 0.628695 0.611132 Zn\n0.794438 0.503515 0.494255 P\n0.816180 0.999106 0.002939 P\n0.171879 0.485818 0.991535 P\n0.175162 0.998013 0.509677 P\n0.109678 0.932427 0.061964 S\n0.106186 0.453530 0.549620 S\n0.796959 0.164989 0.833013 S\n0.749684 0.660987 0.329807 S\n0.650825 0.546991 0.665574 S\n0.676507 0.063227 0.161454 S\n0.301970 0.319060 0.938527 S\n0.327413 0.840924 0.447008 S\n0.184795 0.662445 0.820522 S\n0.188970 0.165494 0.341573 S\n0.867349 0.463448 0.044837 S\n0.877630 0.937738 0.560507 S\n0.324506 0.547346 0.138255 S\n0.314729 0.047435 0.672852 S\n0.674641 0.828767 0.969835 S\n0.675396 0.328416 0.455391 S\n",
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{
"id": "mp-777582",
"created_at": "2022-09-04T14:42:27.856128Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.810580 0.000000 0.000000\n0.000000 8.596250 0.000000\n0.000000 0.203917 12.246445\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.512910 0.312735 0.404342 Li\n0.085757 0.331236 0.058826 Li\n0.780630 0.427563 0.572549 Li\n0.280630 0.572437 0.427451 Li\n0.585757 0.668764 0.941174 Li\n0.012910 0.687265 0.595658 Li\n0.985832 0.813661 0.903527 Li\n0.413190 0.830417 0.557467 Li\n0.717494 0.932111 0.073363 Li\n0.217494 0.067889 0.926637 Li\n0.913190 0.169583 0.442533 Li\n0.485832 0.186339 0.096473 Li\n0.474711 0.991696 0.354253 Mn\n0.974711 0.008304 0.645747 Mn\n0.025979 0.494253 0.854353 V\n0.463924 0.495362 0.641074 V\n0.525979 0.505747 0.145647 V\n0.963924 0.504638 0.358926 V\n0.035481 0.995163 0.143506 V\n0.535481 0.004837 0.856494 V\n0.246605 0.292280 0.259771 P\n0.382740 0.365132 0.900245 P\n0.112352 0.366340 0.604761 P\n0.882740 0.634868 0.099755 P\n0.612352 0.633660 0.395239 P\n0.746605 0.707720 0.740229 P\n0.252165 0.786510 0.758406 P\n0.390289 0.866026 0.099934 P\n0.116831 0.862303 0.398522 P\n0.890289 0.133974 0.900066 P\n0.616831 0.137697 0.601478 P\n0.752165 0.213490 0.241594 P\n0.894219 0.301220 0.855400 O\n0.873894 0.305154 0.304296 O\n0.665871 0.306718 0.151830 O\n0.573240 0.310016 0.567285 O\n0.356228 0.353667 0.168759 O\n0.206858 0.377035 0.916302 O\n0.421808 0.391598 0.779471 O\n0.998345 0.378667 0.504761 O\n0.270222 0.429573 0.565374 O\n0.169509 0.438278 0.311637 O\n0.471245 0.477665 0.973927 O\n0.047610 0.486212 0.687841 O\n0.547610 0.513788 0.312159 O\n0.971245 0.522335 0.026073 O\n0.669509 0.561722 0.688363 O\n0.770222 0.570427 0.434626 O\n0.921808 0.608402 0.220529 O\n0.498345 0.621333 0.495239 O\n0.706858 0.622965 0.083698 O\n0.856228 0.646333 0.831241 O\n0.165871 0.693282 0.848170 O\n0.073240 0.689984 0.432715 O\n0.394219 0.698780 0.144600 O\n0.373894 0.694846 0.695704 O\n0.628809 0.802472 0.805017 O\n0.618949 0.798574 0.351440 O\n0.919969 0.809019 0.064949 O\n0.828690 0.797942 0.648907 O\n0.144167 0.844929 0.667328 O\n0.291084 0.864727 0.416515 O\n0.503657 0.876209 0.998851 O\n0.081684 0.888544 0.274280 O\n0.228957 0.919166 0.061945 O\n0.326856 0.930137 0.814024 O\n0.027745 0.978420 0.466364 O\n0.453493 0.986709 0.180584 O\n0.953493 0.013291 0.819416 O\n0.527745 0.021580 0.533636 O\n0.826856 0.069863 0.185976 O\n0.728957 0.080834 0.938055 O\n0.003657 0.123791 0.001149 O\n0.581684 0.111456 0.725720 O\n0.791084 0.135273 0.583485 O\n0.644167 0.155071 0.332672 O\n0.419969 0.190981 0.935051 O\n0.328690 0.202058 0.351093 O\n0.128809 0.197528 0.194983 O\n0.118949 0.201426 0.648560 O\n",
"nsites": 80,
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"density": 2.9333570513218605,
"density_atomic": 0.08625145187921779,
"volume": 927.5206185749545,
"volume_molar": 6.9820746535758085,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -612.32169357,
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{
"id": "mp-753406",
"created_at": "2022-09-04T14:42:27.856402Z",
"structure_string": "Li4 Ni8 O4 F12\n1.0\n-0.000399 4.231101 4.231106\n8.657510 -4.426491 4.425636\n4.231218 -0.000455 -4.231063\nLi Ni O F\n4 8 4 12\ndirect\n0.489212 0.532346 0.978424 Li\n0.989211 0.032343 0.978425 Li\n0.635784 0.092657 0.271574 Li\n0.135785 0.592657 0.271574 Li\n0.312527 0.062442 0.625043 Ni\n0.812488 0.562562 0.624970 Ni\n0.062488 0.312504 0.124995 Ni\n0.562505 0.312496 0.625013 Ni\n0.062499 0.312486 0.624985 Ni\n0.562512 0.812501 0.125005 Ni\n0.062498 0.812497 0.625006 Ni\n0.562515 0.812499 0.624998 Ni\n0.426094 0.721662 0.852219 O\n0.926127 0.221567 0.852312 O\n0.698901 0.903340 0.397777 O\n0.198872 0.403435 0.397691 O\n0.933331 0.679387 0.387210 F\n0.433270 0.179221 0.387409 F\n0.191675 0.945601 0.383328 F\n0.691759 0.445771 0.383455 F\n0.954129 0.179232 0.387446 F\n0.453863 0.679405 0.387194 F\n0.191667 0.945613 0.862790 F\n0.691725 0.445781 0.862587 F\n0.671133 0.945596 0.862805 F\n0.170870 0.445769 0.862552 F\n0.433238 0.179231 0.866544 F\n0.933322 0.679399 0.866671 F\n",
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"formula_full": "Li4 Ni8 O4 F12",
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"spacegroup": 166
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{
"id": "mp-21064",
"created_at": "2022-09-04T14:42:27.858028Z",
"structure_string": "Eu1 Ni2 B2 C1\n1.0\n-1.832359 1.832359 5.028822\n1.832359 -1.832359 5.028822\n1.832359 1.832359 -5.028822\nEu Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.352463 0.352463 0.000000 B\n0.647537 0.647537 0.000000 B\n0.500000 0.500000 0.000000 C\n",
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"formula_full": "Eu1 Ni2 B2 C1",
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{
"id": "mp-1188147",
"created_at": "2022-09-04T14:42:27.861586Z",
"structure_string": "B16 Os4\n1.0\n2.671199 -4.626652 0.000000\n2.671199 4.626652 0.000000\n0.000000 0.000000 6.451084\nB Os\n16 4\ndirect\n0.334637 0.334637 0.500000 B\n0.665363 0.000000 0.500000 B\n0.000000 0.665363 0.500000 B\n0.665363 0.665363 0.500000 B\n0.000000 0.334637 0.500000 B\n0.334637 0.000000 0.500000 B\n0.665363 0.665363 0.000000 B\n0.334637 0.000000 0.000000 B\n0.000000 0.334637 0.000000 B\n0.334637 0.334637 0.000000 B\n0.000000 0.665363 0.000000 B\n0.665363 0.000000 0.000000 B\n0.333333 0.666667 0.883706 B\n0.666667 0.333333 0.116294 B\n0.666667 0.333333 0.383706 B\n0.333333 0.666667 0.616294 B\n0.333333 0.666667 0.250000 Os\n0.666667 0.333333 0.750000 Os\n0.000000 0.000000 0.250000 Os\n0.000000 0.000000 0.750000 Os\n",
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{
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{
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{
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"structure_string": "K4 Ca2 H16 N24 O8\n1.0\n5.576263 -9.441271 0.000000\n5.576263 9.441271 0.000000\n0.000000 0.000000 6.216542\nK Ca H N O\n4 2 16 24 8\ndirect\n0.168505 0.831495 0.000000 K\n0.331495 0.668505 0.500000 K\n0.668505 0.331495 0.500000 K\n0.831495 0.168505 0.000000 K\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.220848 0.391694 0.165966 H\n0.891694 0.720848 0.665966 H\n0.108306 0.279152 0.665966 H\n0.779152 0.608306 0.165966 H\n0.279152 0.108306 0.334034 H\n0.608306 0.779152 0.834034 H\n0.391694 0.220848 0.834034 H\n0.720848 0.891694 0.334034 H\n0.229071 0.512587 0.020316 H\n0.012587 0.729071 0.520316 H\n0.987413 0.270929 0.520316 H\n0.770929 0.487413 0.020316 H\n0.270929 0.987413 0.479684 H\n0.487413 0.770929 0.979684 H\n0.512587 0.229071 0.979684 H\n0.729071 0.012587 0.479684 H\n0.123670 0.555216 0.831680 N\n0.055216 0.623670 0.331680 N\n0.944784 0.376330 0.331680 N\n0.876330 0.444784 0.831680 N\n0.376330 0.944784 0.668320 N\n0.444784 0.876330 0.168320 N\n0.555216 0.123670 0.168320 N\n0.623670 0.055216 0.668320 N\n0.000000 0.500000 0.832989 N\n0.000000 0.500000 0.332989 N\n0.500000 0.000000 0.667011 N\n0.500000 0.000000 0.167011 N\n0.169127 0.093705 0.846680 N\n0.593705 0.669127 0.346680 N\n0.406295 0.330873 0.346680 N\n0.830873 0.906295 0.846680 N\n0.330873 0.406295 0.653320 N\n0.906295 0.830873 0.153320 N\n0.093705 0.169127 0.153320 N\n0.669127 0.593705 0.653320 N\n0.631080 0.631080 0.500000 N\n0.131080 0.131080 0.000000 N\n0.868920 0.868920 0.000000 N\n0.368920 0.368920 0.500000 N\n0.283641 0.489397 0.126164 O\n0.989397 0.783641 0.626164 O\n0.010603 0.216359 0.626164 O\n0.716359 0.510603 0.126164 O\n0.216359 0.010603 0.373836 O\n0.510603 0.716359 0.873836 O\n0.489397 0.283641 0.873836 O\n0.783641 0.989397 0.373836 O\n",
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{
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{
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{
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}