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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=123",
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"results": [
{
"id": "mp-655001",
"created_at": "2022-09-04T14:41:16.994900Z",
"structure_string": "Li6 B2 H12\n1.0\n-5.170580 0.000000 0.000000\n0.523539 5.644694 0.000000\n-0.038336 -0.599437 -5.999774\nLi B H\n6 2 12\ndirect\n0.597694 0.963313 0.777750 Li\n0.616252 0.529207 0.234493 Li\n0.043175 0.710778 0.538913 Li\n0.971064 0.213946 0.485230 Li\n0.263772 0.478073 0.871534 Li\n0.557007 0.997923 0.289789 Li\n0.442188 0.341948 0.529165 B\n0.008622 0.127258 0.995091 B\n0.482219 0.730285 0.040995 H\n0.528925 0.332316 0.721122 H\n0.154799 0.004685 0.881565 H\n0.320205 0.135753 0.492073 H\n0.897260 0.249965 0.875419 H\n0.814076 0.570796 0.763259 H\n0.036154 0.693983 0.202734 H\n0.887437 0.669765 0.839844 H\n0.843650 0.992462 0.076614 H\n0.131113 0.253635 0.144012 H\n0.109787 0.594279 0.242132 H\n0.794602 0.909632 0.498267 H\n",
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"formula_full": "Li6 B2 H12",
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"spacegroup": 1
},
{
"id": "mp-764163",
"created_at": "2022-09-04T14:44:25.546963Z",
"structure_string": "Li3 Fe1 O4\n1.0\n5.038503 0.051916 0.011531\n8.523691 5.694572 0.059388\n8.514183 4.189174 2.528216\nLi Fe O\n3 1 4\ndirect\n0.006552 0.994638 0.001961 Li\n0.986727 0.493137 0.010607 Li\n0.502009 0.996928 0.499620 Li\n0.504513 0.492353 0.506031 Fe\n0.273762 0.990136 0.238103 O\n0.191714 0.488996 0.279365 O\n0.736394 0.993649 0.773299 O\n0.820597 0.497388 0.727929 O\n",
"nsites": 8,
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"elements": [
"Li",
"Fe",
"O"
],
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"density": 3.3346524014691896,
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"volume": 70.04649840679568,
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"formula_full": "Li3 Fe1 O4",
"formula_reduced": "Li3FeO4",
"formula_anonymous": "AB3C4",
"energy": -48.0960801,
"energy_per_atom": -6.0120100125,
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"updated_at": "2021-11-28T01:36:37.496000Z",
"spacegroup": 38
},
{
"id": "mp-753109",
"created_at": "2022-09-04T14:47:29.367635Z",
"structure_string": "Li4 Fe2 Si1 O7\n1.0\n4.983478 0.000000 0.000000\n-1.031858 4.931717 0.000000\n-0.932188 -0.684417 4.987625\nLi Fe Si O\n4 2 1 7\ndirect\n0.074981 0.651251 0.794281 Li\n0.358357 0.245469 0.949973 Li\n0.641643 0.754531 0.050027 Li\n0.925019 0.348749 0.205719 Li\n0.199266 0.918009 0.341107 Fe\n0.800734 0.081991 0.658893 Fe\n0.500000 0.500000 0.500000 Si\n0.305938 0.581507 0.194123 O\n0.000000 0.000000 0.000000 O\n0.168723 0.276226 0.560912 O\n0.436996 0.801818 0.676656 O\n0.563004 0.198182 0.323344 O\n0.831277 0.723774 0.439088 O\n0.694062 0.418493 0.805877 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.786703234052167,
"density_atomic": 0.1142098470553306,
"volume": 122.58137420687989,
"volume_molar": 5.272873500200458,
"formula_full": "Li4 Fe2 Si1 O7",
"formula_reduced": "Li4Fe2SiO7",
"formula_anonymous": "AB2C4D7",
"energy": -96.47829445,
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"updated_at": "2021-11-28T01:38:10.361000Z",
"spacegroup": 2
},
{
"id": "mp-1175712",
"created_at": "2022-09-04T14:44:56.381552Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.741125 0.000000 0.000000\n1.434253 6.453454 0.000000\n1.368619 0.281659 7.562386\nLi Mn Co O\n9 2 5 16\ndirect\n0.807887 0.619229 0.135056 Li\n0.940984 0.882883 0.373969 Li\n0.690691 0.367386 0.875825 Li\n0.569106 0.125112 0.620484 Li\n0.431531 0.881760 0.365880 Li\n0.313915 0.619757 0.136159 Li\n0.187253 0.370300 0.880359 Li\n0.059450 0.134174 0.611076 Li\n0.128296 0.246467 0.248620 Li\n0.997151 0.004232 0.005861 Mn\n0.374794 0.752744 0.749305 Mn\n0.249390 0.489740 0.491847 Co\n0.501454 0.998266 0.001932 Co\n0.623347 0.248364 0.248779 Co\n0.758717 0.494545 0.490055 Co\n0.876012 0.747646 0.749632 Co\n0.730688 0.932764 0.165207 O\n0.823171 0.203560 0.428416 O\n0.585941 0.709354 0.925306 O\n0.459389 0.467662 0.684412 O\n0.357246 0.202339 0.433506 O\n0.222406 0.938083 0.165325 O\n0.094067 0.706404 0.921456 O\n0.966351 0.444525 0.681141 O\n0.904793 0.285243 0.066464 O\n0.024488 0.570732 0.328586 O\n0.778191 0.049803 0.830706 O\n0.650882 0.805367 0.585362 O\n0.527580 0.565807 0.318748 O\n0.427981 0.279990 0.071905 O\n0.280519 0.043768 0.828270 O\n0.156327 0.811995 0.580351 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.284895278363707,
"density_atomic": 0.11420941734145125,
"volume": 280.1870523892945,
"volume_molar": 5.272893339430706,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.2728532,
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"updated_at": "2021-11-28T01:36:41.575000Z",
"spacegroup": 1
},
{
"id": "mp-777689",
"created_at": "2022-09-04T14:42:23.659135Z",
"structure_string": "Li32 Mn5 Cr11 O48\n1.0\n4.335061 2.522769 0.000000\n-4.335061 2.522769 0.000000\n0.000000 1.322751 38.430607\nLi Mn Cr O\n32 5 11 48\ndirect\n0.908900 0.466576 0.937499 Li\n0.006006 0.878831 0.687603 Li\n0.935080 0.806669 0.875010 Li\n0.877221 0.746586 0.062536 Li\n0.818846 0.692186 0.249966 Li\n0.751206 0.625676 0.437572 Li\n0.687289 0.562515 0.625060 Li\n0.959240 0.160103 0.812405 Li\n0.634178 0.500292 0.812517 Li\n0.839897 0.040760 0.187595 Li\n0.720232 0.913576 0.562372 Li\n0.562512 0.437488 0.000000 Li\n0.499708 0.365822 0.187483 Li\n0.588016 0.784716 0.937371 Li\n0.467588 0.666637 0.312337 Li\n0.785512 0.339386 0.312468 Li\n0.660614 0.214488 0.687532 Li\n0.333363 0.532412 0.687663 Li\n0.215284 0.411984 0.062629 Li\n0.533424 0.091100 0.062501 Li\n0.413093 0.968431 0.437489 Li\n0.437485 0.312711 0.374940 Li\n0.282987 0.839483 0.812601 Li\n0.160517 0.717013 0.187399 Li\n0.374324 0.248794 0.562428 Li\n0.031569 0.586907 0.562511 Li\n0.307814 0.181154 0.750034 Li\n0.253414 0.122779 0.937464 Li\n0.193331 0.064920 0.124990 Li\n0.121169 0.993994 0.312397 Li\n0.060159 0.939841 0.500000 Li\n0.086424 0.279768 0.437628 Li\n0.978826 0.520848 0.749919 Mn\n0.854707 0.394987 0.124969 Mn\n0.729826 0.270174 0.500000 Mn\n0.605013 0.145293 0.875031 Mn\n0.479152 0.021174 0.250081 Mn\n0.892168 0.107832 0.000000 Cr\n0.766633 0.983572 0.374984 Cr\n0.639344 0.848090 0.750067 Cr\n0.526795 0.732969 0.125003 Cr\n0.391434 0.608566 0.500000 Cr\n0.267031 0.473205 0.874997 Cr\n0.358568 0.891173 0.625006 Cr\n0.233395 0.766605 0.000000 Cr\n0.108827 0.641432 0.374994 Cr\n0.151910 0.360656 0.249933 Cr\n0.016428 0.233367 0.625016 Cr\n0.907056 0.418877 0.028229 O\n0.938478 0.461338 0.846686 O\n0.930064 0.805017 0.971501 O\n0.803674 0.679068 0.346671 O\n0.951254 0.820186 0.778960 O\n0.816206 0.693553 0.153476 O\n0.694412 0.569439 0.528414 O\n0.681313 0.560668 0.721576 O\n0.555373 0.423579 0.096087 O\n0.933380 0.167036 0.902919 O\n0.576421 0.444627 0.903913 O\n0.803351 0.036911 0.277955 O\n0.667374 0.905748 0.653482 O\n0.963089 0.196649 0.722045 O\n0.832964 0.066620 0.097081 O\n0.718863 0.952351 0.471688 O\n0.781155 0.292993 0.403342 O\n0.821156 0.337015 0.222207 O\n0.707007 0.218845 0.596658 O\n0.543889 0.781999 0.028319 O\n0.417163 0.655606 0.403387 O\n0.585739 0.820096 0.846997 O\n0.460081 0.693558 0.222143 O\n0.344394 0.582837 0.596613 O\n0.662985 0.178844 0.777793 O\n0.538662 0.061522 0.153314 O\n0.414015 0.927470 0.527913 O\n0.581123 0.092944 0.971771 O\n0.457634 0.970356 0.346664 O\n0.306442 0.539919 0.777857 O\n0.179904 0.414261 0.153003 O\n0.218001 0.456111 0.971681 O\n0.288553 0.805130 0.902955 O\n0.163416 0.687401 0.278312 O\n0.029644 0.542366 0.653336 O\n0.312599 0.836584 0.721688 O\n0.194870 0.711447 0.097045 O\n0.430561 0.305588 0.471586 O\n0.072530 0.585985 0.472087 O\n0.439332 0.318687 0.278424 O\n0.320932 0.196326 0.653329 O\n0.306447 0.183794 0.846524 O\n0.179814 0.048746 0.221040 O\n0.054697 0.929475 0.596692 O\n0.194983 0.069936 0.028499 O\n0.070525 0.945303 0.403308 O\n0.047649 0.281137 0.528312 O\n0.094252 0.332626 0.346518 O\n",
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"elements": [
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],
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"volume": 840.5817144884554,
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"formula_full": "Li32 Mn5 Cr11 O48",
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"updated_at": "2021-11-28T01:35:43.698000Z",
"spacegroup": 5
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{
"id": "mp-989473",
"created_at": "2022-09-04T14:48:26.687950Z",
"structure_string": "B4 C6 N12\n1.0\n5.889840 3.400501 0.000000\n-5.889840 3.400501 0.000000\n0.000000 0.000000 4.809035\nB C N\n4 6 12\ndirect\n0.899559 0.399559 0.600441 B\n0.100441 0.600441 0.399559 B\n0.600441 0.100441 0.899559 B\n0.399559 0.899559 0.100441 B\n0.670484 0.329516 0.250000 C\n0.329516 0.670484 0.750000 C\n0.170484 0.250000 0.170484 C\n0.750000 0.829516 0.329516 C\n0.250000 0.170484 0.670484 C\n0.829516 0.750000 0.829516 C\n0.275099 0.593078 0.569082 N\n0.224901 0.069082 0.093078 N\n0.930918 0.775099 0.406922 N\n0.775099 0.930918 0.906922 N\n0.724901 0.406922 0.430918 N\n0.593078 0.275099 0.069082 N\n0.906922 0.569082 0.775099 N\n0.069082 0.224901 0.593078 N\n0.093078 0.430918 0.224901 N\n0.430918 0.093078 0.724901 N\n0.569082 0.906922 0.275099 N\n0.406922 0.724901 0.930918 N\n",
"nsites": 22,
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"elements": [
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"spacegroup": 15
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{
"id": "mp-1216383",
"created_at": "2022-09-04T14:39:08.269326Z",
"structure_string": "V1 Cr1 C2\n1.0\n4.813826 -1.460632 0.000000\n4.813826 1.460632 0.000000\n4.370635 0.000000 2.490767\nV Cr C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.248759 0.248759 0.248759 C\n0.751241 0.751241 0.751241 C\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.0189161382308605,
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"formula_full": "V1 Cr1 C2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:23.634000Z",
"spacegroup": 166
},
{
"id": "mp-1284624",
"created_at": "2022-09-04T14:46:23.838599Z",
"structure_string": "Li4 Co2 O6\n1.0\n4.780366 -0.095170 1.122497\n-2.439636 4.234625 1.062160\n-0.029859 -0.129155 5.193607\nLi Co O\n4 2 6\ndirect\n0.166667 0.833404 0.500002 Li\n0.666619 0.333293 0.999989 Li\n0.838159 0.176649 0.507197 Li\n0.495076 0.489970 0.492856 Li\n0.329876 0.653804 0.990767 Co\n0.003515 0.012901 0.009206 Co\n0.965403 0.619811 0.228143 O\n0.367991 0.046870 0.771843 O\n0.620527 0.917862 0.226997 O\n0.248438 0.270109 0.229171 O\n0.084842 0.396569 0.770890 O\n0.712888 0.748758 0.772939 O\n",
"nsites": 12,
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"volume": 105.08305586623796,
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"formula_full": "Li4 Co2 O6",
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"spacegroup": 2
},
{
"id": "mp-754716",
"created_at": "2022-09-04T14:41:36.532235Z",
"structure_string": "Li4 Cu2 Ni2 O8\n1.0\n-1.535724 2.455430 2.892668\n-7.090236 -4.434225 -0.000010\n1.535773 -2.455495 2.892749\nLi Cu Ni O\n4 2 2 8\ndirect\n0.500001 0.749990 0.000000 Li\n0.000000 0.250010 0.500001 Li\n0.999997 0.500161 0.999998 Li\n0.499998 0.999840 0.499999 Li\n0.999993 0.750035 0.499993 Cu\n0.499994 0.249966 0.999995 Cu\n0.499992 0.499985 0.499999 Ni\n0.000006 0.000015 0.999993 Ni\n0.000015 0.976295 0.500002 O\n0.500016 0.476143 0.000002 O\n0.999999 0.523714 0.500015 O\n0.500000 0.023850 0.000017 O\n0.999995 0.764827 0.999995 O\n0.499997 0.264840 0.499999 O\n0.999998 0.235147 0.999997 O\n0.499997 0.735182 0.499997 O\n",
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"formula_full": "Li4 Cu2 Ni2 O8",
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