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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=73",
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"results": [
{
"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,
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"elements": [
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"Li",
"Mn",
"P",
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"O"
],
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"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,
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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-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": [
"Na",
"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,
"energy_per_atom": -7.280118928461539,
"energy_above_hull": null,
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"energy_uncorrected": -352.65818428,
"band_gap": 3.5433,
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"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.282000Z",
"spacegroup": 1
},
{
"id": "mp-771021",
"created_at": "2022-09-04T14:46:29.805156Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n0.027474 -6.788158 5.094053\n8.806981 0.139820 0.259809\n0.242314 6.819218 5.137412\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.126948 0.253655 0.136385 Na\n0.626910 0.253560 0.636279 Na\n0.880463 0.250408 0.380686 Na\n0.380552 0.250342 0.880673 Na\n0.120172 0.754822 0.615294 Na\n0.620191 0.754909 0.115293 Na\n0.272256 0.103834 0.507696 Li\n0.772252 0.103856 0.007762 Li\n0.888592 0.723845 0.854927 Li\n0.388641 0.723974 0.354960 Li\n0.725835 0.897315 0.507972 Li\n0.225825 0.897385 0.007955 Li\n0.509851 0.360803 0.263883 Mn\n0.987253 0.645488 0.224737 Mn\n0.009628 0.360637 0.763823 Mn\n0.487348 0.645404 0.724687 Mn\n0.233416 0.412422 0.480987 P\n0.733515 0.412400 0.981008 P\n0.761160 0.594270 0.508540 P\n0.261090 0.594319 0.008467 P\n0.975935 0.041941 0.742413 C\n0.475971 0.041998 0.242404 C\n0.028265 0.952230 0.273155 C\n0.528275 0.952217 0.773156 C\n0.069679 0.084304 0.329224 O\n0.569691 0.084269 0.829226 O\n0.100546 0.064667 0.865849 O\n0.600576 0.064663 0.365868 O\n0.894728 0.158892 0.654188 O\n0.394785 0.158955 0.154228 O\n0.367133 0.309621 0.442204 O\n0.867347 0.309638 0.942339 O\n0.183596 0.323446 0.621851 O\n0.683630 0.323510 0.121866 O\n0.082344 0.429854 0.327136 O\n0.582540 0.429742 0.827094 O\n0.708171 0.431849 0.458631 O\n0.208176 0.431851 0.958629 O\n0.295733 0.573987 0.525058 O\n0.795724 0.573998 0.025057 O\n0.901540 0.578423 0.673272 O\n0.401549 0.578530 0.173218 O\n0.822082 0.686385 0.377400 O\n0.322032 0.686425 0.877305 O\n0.616428 0.691781 0.533533 O\n0.116197 0.691756 0.033350 O\n0.119629 0.833013 0.341731 O\n0.619600 0.832982 0.841708 O\n0.899728 0.936641 0.151344 O\n0.399715 0.936653 0.651311 O\n0.928365 0.906031 0.702101 O\n0.428396 0.906102 0.202134 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7635912974753474,
"density_atomic": 0.08490709854072685,
"volume": 612.4340708104339,
"volume_molar": 7.0926234243081545,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.56705507,
"energy_per_atom": -7.260904905192307,
"energy_above_hull": null,
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"energy_uncorrected": -351.65905507,
"band_gap": 3.5219,
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"is_magnetic": true,
"total_magnetization": 20.0004915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.830000Z",
"spacegroup": 1
},
{
"id": "mp-772308",
"created_at": "2022-09-04T14:46:29.338013Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.766851 0.000000 0.000000\n0.000000 8.983456 0.000000\n0.000000 0.012560 10.366733\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.249759 0.583433 0.880596 Na\n0.252635 0.582837 0.379292 Na\n0.001374 0.758568 0.623565 Na\n0.498909 0.758510 0.623228 Na\n0.001860 0.758036 0.124162 Na\n0.501860 0.241964 0.875838 Na\n0.501374 0.241432 0.376435 Na\n0.998909 0.241490 0.376772 Na\n0.752635 0.417163 0.620708 Na\n0.749759 0.416567 0.119404 Na\n0.490929 0.768708 0.120351 Li\n0.990929 0.231292 0.879649 Li\n0.747323 0.861428 0.890248 Mn\n0.749389 0.861733 0.388430 Mn\n0.249389 0.138267 0.611570 Mn\n0.247323 0.138572 0.109752 Mn\n0.245583 0.913881 0.852163 P\n0.253176 0.909874 0.349490 P\n0.753176 0.090126 0.650510 P\n0.745583 0.086119 0.147837 P\n0.754902 0.556490 0.868876 C\n0.748615 0.560699 0.366738 C\n0.248615 0.439301 0.633262 C\n0.254902 0.443510 0.131124 C\n0.249872 0.583205 0.644088 O\n0.267824 0.587892 0.140789 O\n0.748223 0.620189 0.981413 O\n0.750499 0.622357 0.480420 O\n0.747822 0.639591 0.765597 O\n0.745925 0.644958 0.264206 O\n0.063224 0.819185 0.892599 O\n0.430584 0.825724 0.899211 O\n0.066726 0.818842 0.388684 O\n0.434821 0.818205 0.395277 O\n0.251553 0.927202 0.701952 O\n0.750590 0.931911 0.591013 O\n0.261771 0.923919 0.198606 O\n0.736110 0.925625 0.091616 O\n0.236110 0.074375 0.908384 O\n0.761771 0.076081 0.801394 O\n0.250590 0.068089 0.408987 O\n0.751553 0.072798 0.298048 O\n0.566726 0.181158 0.611316 O\n0.934821 0.181795 0.604723 O\n0.563224 0.180815 0.107401 O\n0.930584 0.174276 0.100789 O\n0.245925 0.355042 0.735794 O\n0.247822 0.360409 0.234403 O\n0.250499 0.377643 0.519580 O\n0.248223 0.379811 0.018587 O\n0.767824 0.412108 0.859211 O\n0.749872 0.416795 0.355912 O\n",
"nsites": 52,
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"elements": [
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"P",
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"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.854875477166893,
"density_atomic": 0.08251470884299567,
"volume": 630.1906742341256,
"volume_molar": 7.298263357456172,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.91608307,
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"updated_at": "2021-11-28T01:37:41.830000Z",
"spacegroup": 4
},
{
"id": "mp-772567",
"created_at": "2022-09-04T14:43:21.352641Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.823354 0.000000 0.000000\n-0.052018 8.858879 0.000000\n-0.002448 -0.185706 10.220159\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.250752 0.916161 0.378394 Na\n0.000272 0.744299 0.626009 Na\n0.499337 0.743959 0.625921 Na\n0.000392 0.741856 0.123733 Na\n0.500160 0.741826 0.122991 Na\n0.500646 0.254516 0.874460 Na\n0.502131 0.256886 0.376363 Na\n0.998640 0.255841 0.375606 Na\n0.240961 0.919441 0.875337 Li\n0.979470 0.267666 0.882484 Li\n0.758135 0.090317 0.628144 Li\n0.754195 0.092206 0.122425 Li\n0.749816 0.641232 0.885918 Mn\n0.750561 0.636347 0.389218 Mn\n0.247712 0.356965 0.614778 Mn\n0.246353 0.355823 0.107856 Mn\n0.245610 0.593281 0.851616 P\n0.250362 0.588250 0.353298 P\n0.753578 0.402259 0.649794 P\n0.748956 0.403719 0.142985 P\n0.759037 0.955078 0.867582 C\n0.750313 0.947559 0.365161 C\n0.248182 0.058335 0.641023 C\n0.249375 0.051261 0.127955 C\n0.250981 0.914096 0.661062 O\n0.251490 0.908304 0.149281 O\n0.751874 0.913970 0.988655 O\n0.751459 0.910571 0.487824 O\n0.748776 0.853760 0.773275 O\n0.751325 0.843061 0.273691 O\n0.068237 0.694244 0.891895 O\n0.432742 0.681974 0.895080 O\n0.067577 0.681241 0.395838 O\n0.434252 0.682115 0.395056 O\n0.247962 0.573481 0.699591 O\n0.749182 0.562630 0.590005 O\n0.249137 0.568821 0.200980 O\n0.750348 0.563818 0.083290 O\n0.233001 0.432143 0.910174 O\n0.767365 0.422778 0.802195 O\n0.251242 0.428872 0.413639 O\n0.754306 0.424631 0.294904 O\n0.568027 0.307307 0.614074 O\n0.930162 0.306669 0.601595 O\n0.564841 0.309131 0.103708 O\n0.927218 0.306508 0.096875 O\n0.243535 0.151049 0.740901 O\n0.246118 0.146911 0.227055 O\n0.249881 0.111804 0.523617 O\n0.250014 0.100954 0.009265 O\n0.775672 0.096405 0.836708 O\n0.748333 0.087666 0.330719 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8259489633243717,
"density_atomic": 0.08417226582143557,
"volume": 617.7806845584228,
"volume_molar": 7.154542771576885,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.45374168,
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"energy_above_hull": null,
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"energy_uncorrected": -349.54574168,
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"updated_at": "2021-11-28T01:36:19.090000Z",
"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": [
"Na",
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"Mn",
"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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"updated_at": "2021-11-28T01:35:37.926000Z",
"spacegroup": 1
},
{
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{
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}