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{
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"results": [
{
"id": "mp-772515",
"created_at": "2022-09-04T14:48:01.943339Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.643176 0.000000 0.000000\n-0.053159 8.649343 0.000000\n-0.024382 -0.335851 10.012355\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.245298 0.913891 0.376124 Na\n0.500077 0.248178 0.375610 Na\n0.248566 0.920531 0.871630 Li\n0.025692 0.732882 0.616173 Li\n0.473810 0.733119 0.615759 Li\n0.025410 0.732054 0.110972 Li\n0.475236 0.734278 0.111632 Li\n0.523437 0.262842 0.883036 Li\n0.974288 0.264600 0.883945 Li\n0.972946 0.272153 0.388376 Li\n0.756172 0.083026 0.630949 Li\n0.762835 0.087657 0.125356 Li\n0.750997 0.650111 0.885707 Mn\n0.747253 0.643038 0.389277 Mn\n0.245254 0.354155 0.618965 Mn\n0.248742 0.351675 0.108910 Mn\n0.250859 0.595072 0.854771 P\n0.242836 0.585567 0.357172 P\n0.748919 0.409232 0.651255 P\n0.754370 0.409294 0.142446 P\n0.750319 0.962538 0.864276 C\n0.759259 0.956199 0.361486 C\n0.249460 0.047747 0.641866 C\n0.250452 0.038698 0.127231 C\n0.251191 0.898004 0.656732 O\n0.249894 0.890493 0.145576 O\n0.752743 0.919991 0.986504 O\n0.750250 0.920122 0.486161 O\n0.751023 0.859638 0.765822 O\n0.744358 0.848664 0.267650 O\n0.067317 0.689059 0.907437 O\n0.435723 0.689739 0.907288 O\n0.062468 0.683593 0.409863 O\n0.432173 0.672061 0.413492 O\n0.249202 0.588917 0.698083 O\n0.752068 0.578888 0.602913 O\n0.247427 0.582303 0.200509 O\n0.750952 0.578438 0.094594 O\n0.251837 0.424638 0.899914 O\n0.756258 0.418057 0.807564 O\n0.229577 0.416389 0.402697 O\n0.767236 0.417815 0.298342 O\n0.560247 0.316608 0.604690 O\n0.928619 0.311607 0.596538 O\n0.565876 0.313178 0.096897 O\n0.933659 0.312904 0.085327 O\n0.244103 0.139334 0.747077 O\n0.251332 0.135409 0.229972 O\n0.252421 0.106382 0.524873 O\n0.249581 0.091588 0.008122 O\n0.747519 0.108576 0.835087 O\n0.782459 0.099070 0.327351 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7566770692105336,
"density_atomic": 0.09038746899551504,
"volume": 575.3009856109612,
"volume_molar": 6.662583682146044,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.20480186,
"energy_per_atom": -7.311630804999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -354.29680186,
"band_gap": 3.5369,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.347000Z",
"spacegroup": 1
},
{
"id": "mp-756734",
"created_at": "2022-09-04T14:46:06.451664Z",
"structure_string": "Na4 Li2 Mn2 P2 C2 O14\n1.0\n0.062763 0.006542 5.176848\n8.898837 -0.187179 0.134908\n-0.142835 6.802836 0.008576\nNa Li Mn P C O\n4 2 2 2 2 14\ndirect\n0.756202 0.086972 0.270536 Na\n0.254578 0.244810 0.984503 Na\n0.746415 0.746391 0.510751 Na\n0.749855 0.747745 0.000640 Na\n0.227467 0.290574 0.451552 Li\n0.235165 0.895260 0.736351 Li\n0.226221 0.644285 0.254455 Mn\n0.785570 0.361134 0.741342 Mn\n0.722251 0.414114 0.248207 P\n0.294745 0.586710 0.748268 P\n0.716351 0.045468 0.752098 C\n0.267506 0.949240 0.264952 C\n0.288758 0.094315 0.266677 O\n0.965319 0.060155 0.758752 O\n0.562614 0.162456 0.732618 O\n0.798629 0.321497 0.057653 O\n0.835891 0.325945 0.423011 O\n0.419592 0.425602 0.266706 O\n0.184610 0.425545 0.728529 O\n0.826114 0.575796 0.249138 O\n0.595544 0.571409 0.746582 O\n0.207142 0.687640 0.576428 O\n0.204028 0.674321 0.939428 O\n0.473127 0.860620 0.262368 O\n0.042279 0.887691 0.264957 O\n0.614025 0.914310 0.763497 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7871009146027435,
"density_atomic": 0.08301515777522572,
"volume": 313.1958150389639,
"volume_molar": 7.254266475413712,
"formula_full": "Na4 Li2 Mn2 P2 C2 O14",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -187.89162858,
"energy_per_atom": -7.226601099230769,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.93762858,
"band_gap": 3.0672,
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"is_magnetic": true,
"total_magnetization": 4.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.797000Z",
"spacegroup": 1
},
{
"id": "mp-754428",
"created_at": "2022-09-04T14:40:23.647649Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n-0.000809 -0.009269 5.211477\n9.028555 6.859408 0.012642\n-8.928943 6.726354 -0.036584\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.754580 0.159159 0.075586 Na\n0.754596 0.659212 0.575692 Na\n0.251357 0.378795 0.123505 Na\n0.251324 0.878817 0.623574 Na\n0.754064 0.621994 0.881774 Na\n0.754116 0.121940 0.381676 Na\n0.751861 0.868997 0.127932 Na\n0.751822 0.369074 0.627939 Na\n0.242771 0.839100 0.920821 Na\n0.242783 0.339095 0.420792 Na\n0.212468 0.158955 0.872252 Li\n0.212505 0.658974 0.372231 Li\n0.779023 0.055379 0.699210 Mn\n0.223942 0.944167 0.305414 Mn\n0.779197 0.555239 0.199484 Mn\n0.223749 0.444326 0.805254 Mn\n0.708273 0.329094 0.918652 P\n0.708553 0.828892 0.418702 P\n0.300150 0.668939 0.086776 P\n0.300079 0.168959 0.586695 P\n0.734376 0.403508 0.344860 C\n0.734369 0.903574 0.844813 C\n0.261355 0.592489 0.646598 C\n0.261330 0.092492 0.146629 C\n0.279152 0.158989 0.069105 O\n0.279179 0.658994 0.569117 O\n0.961242 0.431427 0.312552 O\n0.961210 0.931463 0.812550 O\n0.532928 0.450701 0.306078 O\n0.532861 0.950709 0.806017 O\n0.821376 0.197206 0.875730 O\n0.821718 0.696932 0.376187 O\n0.774043 0.378029 0.059075 O\n0.774048 0.878057 0.559110 O\n0.408742 0.324178 0.901311 O\n0.409049 0.823935 0.401251 O\n0.182581 0.595191 0.172163 O\n0.182765 0.095168 0.672069 O\n0.820551 0.411800 0.841486 O\n0.820990 0.911481 0.341511 O\n0.599007 0.661730 0.094401 O\n0.598975 0.161813 0.594305 O\n0.214930 0.617387 0.948691 O\n0.214814 0.117358 0.448638 O\n0.216861 0.806165 0.127163 O\n0.216486 0.306132 0.627076 O\n0.467302 0.554767 0.692395 O\n0.467317 0.054844 0.192430 O\n0.037897 0.561613 0.680917 O\n0.037899 0.061614 0.180915 O\n0.708710 0.830585 0.915439 O\n0.708725 0.330564 0.415449 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.830240027702322,
"density_atomic": 0.08180266835084687,
"volume": 635.6760854911851,
"volume_molar": 7.361790124218674,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -374.09503936,
"energy_per_atom": -7.194135372307692,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -348.18703936,
"band_gap": 3.0618,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9997795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.322000Z",
"spacegroup": 1
},
{
"id": "mp-772547",
"created_at": "2022-09-04T14:42:17.489734Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.816774 0.000000 0.000000\n-0.046558 8.966373 0.000000\n-0.020036 -0.039588 10.331538\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.252349 0.083072 0.121288 Na\n0.251906 0.083725 0.618881 Na\n0.001290 0.257606 0.375996 Na\n0.001767 0.259582 0.876296 Na\n0.498342 0.259131 0.876407 Na\n0.501801 0.741846 0.124893 Na\n0.998316 0.741451 0.124710 Na\n0.501908 0.741146 0.622961 Na\n0.998224 0.741042 0.622609 Na\n0.750298 0.916767 0.879401 Na\n0.490737 0.266650 0.379556 Li\n0.745920 0.917855 0.377841 Li\n0.749022 0.360626 0.113187 Mn\n0.747685 0.360353 0.608834 Mn\n0.249684 0.639907 0.387938 Mn\n0.250132 0.637875 0.889600 Mn\n0.253100 0.409272 0.150486 P\n0.249784 0.410503 0.646258 P\n0.746304 0.591459 0.350545 P\n0.750023 0.588458 0.851285 P\n0.748324 0.059384 0.137880 C\n0.749172 0.055366 0.627550 C\n0.256100 0.943941 0.368403 C\n0.250067 0.939852 0.867847 C\n0.267644 0.088542 0.358806 O\n0.249116 0.083957 0.857170 O\n0.749624 0.117596 0.022404 O\n0.748422 0.108895 0.510608 O\n0.744859 0.146537 0.238892 O\n0.748153 0.145852 0.727321 O\n0.067099 0.318082 0.111230 O\n0.433505 0.318101 0.104850 O\n0.064769 0.318709 0.606211 O\n0.431207 0.318323 0.601826 O\n0.262016 0.424195 0.301844 O\n0.736567 0.431535 0.409566 O\n0.252890 0.427411 0.797071 O\n0.750415 0.430715 0.912425 O\n0.250167 0.568108 0.091228 O\n0.748716 0.572920 0.200180 O\n0.249845 0.568942 0.586808 O\n0.749403 0.570208 0.700707 O\n0.567978 0.689438 0.390635 O\n0.931663 0.681438 0.393179 O\n0.567356 0.680712 0.892444 O\n0.933646 0.681258 0.892495 O\n0.249666 0.860229 0.264864 O\n0.250441 0.855438 0.764872 O\n0.250141 0.880177 0.481195 O\n0.250744 0.877660 0.981500 O\n0.750822 0.915633 0.153502 O\n0.750864 0.912519 0.645519 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8490394799135097,
"density_atomic": 0.08234603051778572,
"volume": 631.4815622930197,
"volume_molar": 7.313213183602448,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.83686386,
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"energy_uncorrected": -347.92886386,
"band_gap": 3.0615,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:37.926000Z",
"spacegroup": 1
},
{
"id": "mp-772234",
"created_at": "2022-09-04T14:46:12.470145Z",
"structure_string": "Na4 Li8 Mn4 P4 C4 O28\n1.0\n6.702044 0.000000 0.000000\n-0.079417 8.685289 0.000000\n-0.023530 -0.238941 10.062657\nNa Li Mn P C O\n4 8 4 4 4 28\ndirect\n0.259134 0.083907 0.122222 Na\n0.999300 0.252059 0.376699 Na\n0.998812 0.251676 0.873483 Na\n0.499508 0.748659 0.624559 Na\n0.253033 0.081337 0.623764 Li\n0.478100 0.268634 0.387630 Li\n0.481005 0.268567 0.881836 Li\n0.520240 0.733734 0.117645 Li\n0.978497 0.732679 0.114886 Li\n0.984662 0.736270 0.616312 Li\n0.745601 0.914362 0.374109 Li\n0.748760 0.912874 0.875300 Li\n0.746178 0.357666 0.112922 Mn\n0.744768 0.357325 0.611689 Mn\n0.245881 0.646491 0.386888 Mn\n0.248536 0.644353 0.889846 Mn\n0.254549 0.414627 0.148703 P\n0.248786 0.404749 0.647840 P\n0.744860 0.596918 0.351337 P\n0.749854 0.594084 0.854255 P\n0.748452 0.041161 0.132883 C\n0.756136 0.045226 0.635040 C\n0.258264 0.955107 0.370184 C\n0.256779 0.948183 0.860490 C\n0.277398 0.101151 0.352323 O\n0.274869 0.095301 0.844507 O\n0.751562 0.087990 0.011170 O\n0.750417 0.088622 0.512401 O\n0.743985 0.141266 0.231141 O\n0.737833 0.146177 0.731857 O\n0.063122 0.323343 0.106946 O\n0.432034 0.321976 0.089581 O\n0.062670 0.303410 0.612179 O\n0.429356 0.313754 0.590777 O\n0.270391 0.420556 0.303624 O\n0.734282 0.429374 0.402948 O\n0.269859 0.419887 0.802616 O\n0.733672 0.427262 0.905586 O\n0.253307 0.584186 0.100930 O\n0.752069 0.585689 0.195535 O\n0.233573 0.570020 0.593264 O\n0.765286 0.581880 0.699380 O\n0.563940 0.696463 0.394483 O\n0.930238 0.687683 0.404985 O\n0.568290 0.695603 0.895711 O\n0.933397 0.683882 0.911956 O\n0.244810 0.859832 0.268298 O\n0.241801 0.856553 0.756435 O\n0.251131 0.902184 0.490228 O\n0.252744 0.889031 0.977678 O\n0.749402 0.894983 0.158790 O\n0.778868 0.901289 0.664143 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.798546728319229,
"density_atomic": 0.08877672617801093,
"volume": 585.7391034642575,
"volume_molar": 6.783467941726851,
"formula_full": "Na4 Li8 Mn4 P4 C4 O28",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -378.56618428,
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"updated_at": "2021-11-28T01:37:24.282000Z",
"spacegroup": 1
},
{
"id": "mp-772236",
"created_at": "2022-09-04T14:43:18.070505Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.766357 0.000000 0.000000\n-0.165824 8.749525 0.000000\n-0.053936 -0.189604 10.148007\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.244260 0.916403 0.378872 Na\n0.499680 0.746037 0.626233 Na\n0.998769 0.744559 0.123310 Na\n0.500978 0.742899 0.121543 Na\n0.500836 0.253716 0.876145 Na\n0.501155 0.255250 0.375743 Na\n0.236063 0.920377 0.875374 Li\n0.019897 0.730287 0.620598 Li\n0.982390 0.266288 0.883530 Li\n0.980223 0.270423 0.383775 Li\n0.767395 0.085723 0.626019 Li\n0.760214 0.089106 0.122912 Li\n0.751481 0.641751 0.885172 Mn\n0.752220 0.639820 0.390901 Mn\n0.245814 0.355204 0.613139 Mn\n0.244725 0.355681 0.108708 Mn\n0.241476 0.594752 0.849008 P\n0.244792 0.584938 0.353629 P\n0.758030 0.405712 0.648651 P\n0.753082 0.401827 0.146063 P\n0.759969 0.955018 0.865525 C\n0.759171 0.954984 0.367210 C\n0.239393 0.051512 0.639033 C\n0.248401 0.051222 0.129887 C\n0.227129 0.904119 0.654072 O\n0.255230 0.907090 0.149818 O\n0.753054 0.910152 0.987217 O\n0.750768 0.909755 0.488759 O\n0.753025 0.854442 0.769018 O\n0.752669 0.853484 0.271063 O\n0.068271 0.695827 0.896704 O\n0.434258 0.683729 0.889434 O\n0.068024 0.683312 0.401275 O\n0.436002 0.672893 0.399292 O\n0.230582 0.578965 0.695120 O\n0.767875 0.571800 0.595086 O\n0.243367 0.572719 0.200088 O\n0.749065 0.564453 0.087843 O\n0.233379 0.430370 0.905232 O\n0.772504 0.419521 0.802351 O\n0.232283 0.420279 0.407661 O\n0.771281 0.420170 0.299543 O\n0.564172 0.318643 0.608846 O\n0.927893 0.304486 0.595381 O\n0.563706 0.306234 0.110099 O\n0.927377 0.305089 0.092745 O\n0.242792 0.141225 0.742698 O\n0.242480 0.147214 0.229765 O\n0.248910 0.111034 0.523250 O\n0.246827 0.102495 0.009792 O\n0.773149 0.098708 0.837651 O\n0.773508 0.098304 0.339215 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8171697558132993,
"density_atomic": 0.08655321439219758,
"volume": 600.7864683612211,
"volume_molar": 6.957732075335692,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.00829049,
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"updated_at": "2021-11-28T01:36:14.390000Z",
"spacegroup": 1
},
{
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{
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{
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}