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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11521",
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"results": [
{
"id": "mp-676527",
"created_at": "2022-09-04T14:46:13.785559Z",
"structure_string": "Na4 P1 H5 Se3 O16\n1.0\n7.195679 0.000000 0.000000\n1.256727 7.088231 0.000000\n1.245238 0.392149 7.109193\nNa P H Se O\n4 1 5 3 16\ndirect\n0.212519 0.977405 0.824335 Na\n0.151355 0.652951 0.344940 Na\n0.859304 0.350807 0.683007 Na\n0.796235 0.045154 0.166993 Na\n0.278346 0.449131 0.790708 P\n0.521424 0.724669 0.038848 H\n0.065535 0.622096 0.997032 H\n0.466448 0.509234 0.523828 H\n0.470637 0.283055 0.966957 H\n0.527861 0.002192 0.504868 H\n0.750622 0.878411 0.707801 Se\n0.725080 0.530192 0.207871 Se\n0.254668 0.117814 0.297614 Se\n0.334565 0.998370 0.489437 O\n0.141676 0.975643 0.199019 O\n0.548359 0.835587 0.841792 O\n0.896700 0.686417 0.636320 O\n0.877215 0.686016 0.170130 O\n0.502120 0.660536 0.171371 O\n0.195833 0.623883 0.920024 O\n0.326610 0.544278 0.588104 O\n0.671538 0.454136 0.430505 O\n0.791674 0.363285 0.059252 O\n0.481478 0.360972 0.839965 O\n0.144105 0.309599 0.810035 O\n0.106291 0.314772 0.359405 O\n0.452539 0.161806 0.152433 O\n0.861909 0.019188 0.806772 O\n0.676854 0.008299 0.510435 O\n",
"nsites": 29,
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"elements": [
"Na",
"P",
"H",
"Se",
"O"
],
"chemical_system": "H-Na-O-P-Se",
"density": 2.8431573486723365,
"density_atomic": 0.07997754147206011,
"volume": 362.6017937814587,
"volume_molar": 7.529789799932542,
"formula_full": "Na4 P1 H5 Se3 O16",
"formula_reduced": "Na4PH5Se3O16",
"formula_anonymous": "AB3C4D5E16",
"energy": -165.01449749999998,
"energy_per_atom": -5.690155086206896,
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"energy_uncorrected": -154.0224975,
"band_gap": 3.2615000000000003,
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"is_magnetic": false,
"total_magnetization": 0.0010965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.945000Z",
"spacegroup": 1
},
{
"id": "mp-755385",
"created_at": "2022-09-04T14:46:13.838564Z",
"structure_string": "Fe6 O2 F10\n1.0\n5.788861 0.000000 0.000000\n1.865664 5.522058 0.000000\n2.247204 1.556398 6.990721\nFe O F\n6 2 10\ndirect\n0.651254 0.665074 0.846414 Fe\n0.338173 0.339811 0.649334 Fe\n0.650341 0.663066 0.327965 Fe\n0.338660 0.363928 0.169603 Fe\n0.996794 0.002742 0.495435 Fe\n0.020915 0.980412 0.005820 Fe\n0.422647 0.422493 0.381229 O\n0.307355 0.679610 0.008103 O\n0.029829 0.631963 0.675327 F\n0.361933 0.987660 0.316420 F\n0.885170 0.894360 0.311287 F\n0.248440 0.244695 0.948215 F\n0.559044 0.550400 0.637482 F\n0.772452 0.768901 0.036437 F\n0.109063 0.118312 0.688063 F\n0.977407 0.368957 0.317952 F\n0.628164 0.039591 0.672665 F\n0.702360 0.278027 0.012249 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.139324068619161,
"density_atomic": 0.08054831316604973,
"volume": 223.4683669028939,
"volume_molar": 7.4764331160919575,
"formula_full": "Fe6 O2 F10",
"formula_reduced": "Fe3OF5",
"formula_anonymous": "AB3C5",
"energy": -122.51088917,
"energy_per_atom": -6.806160509444444,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -102.98088917,
"band_gap": 1.1912,
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"is_magnetic": true,
"total_magnetization": 26.0000544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.087000Z",
"spacegroup": 1
},
{
"id": "mp-760898",
"created_at": "2022-09-04T14:46:13.881941Z",
"structure_string": "Mn12 O7 F17\n1.0\n4.768302 0.000000 0.000000\n0.140435 5.762617 0.000000\n0.146254 0.051816 15.887797\nMn O F\n12 7 17\ndirect\n0.992004 0.155856 0.415116 Mn\n0.028466 0.838769 0.238042 Mn\n0.009667 0.159966 0.075561 Mn\n0.052223 0.171366 0.749245 Mn\n0.022436 0.853514 0.580641 Mn\n0.000938 0.857587 0.918457 Mn\n0.473429 0.321119 0.585055 Mn\n0.490587 0.330689 0.923596 Mn\n0.529905 0.340836 0.259361 Mn\n0.486762 0.649492 0.082407 Mn\n0.503195 0.665542 0.420410 Mn\n0.510123 0.630837 0.755062 Mn\n0.211243 0.096995 0.639900 O\n0.206364 0.121730 0.968929 O\n0.230278 0.888580 0.127259 O\n0.216110 0.899278 0.468599 O\n0.305691 0.387974 0.809842 O\n0.700823 0.382608 0.029486 O\n0.727379 0.387064 0.368857 O\n0.224976 0.118402 0.305914 F\n0.250023 0.876427 0.807117 F\n0.267139 0.396088 0.150930 F\n0.277788 0.618599 0.309685 F\n0.245157 0.400608 0.473594 F\n0.264664 0.602591 0.645218 F\n0.249486 0.614579 0.976449 F\n0.723752 0.618800 0.192671 F\n0.726002 0.625768 0.533196 F\n0.738718 0.614226 0.867235 F\n0.740784 0.380014 0.692886 F\n0.788270 0.125692 0.186345 F\n0.753630 0.114345 0.520657 F\n0.763926 0.891954 0.350721 F\n0.737567 0.882309 0.023804 F\n0.783906 0.120280 0.851028 F\n0.766585 0.859519 0.696724 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.162062674354408,
"density_atomic": 0.08246227439271779,
"volume": 436.5632680533869,
"volume_molar": 7.302904030175298,
"formula_full": "Mn12 O7 F17",
"formula_reduced": "Mn12O7F17",
"formula_anonymous": "A7B12C17",
"energy": -268.79742975,
"energy_per_atom": -7.466595270833333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.11842975,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 53.0011375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.672000Z",
"spacegroup": 1
},
{
"id": "mp-770492",
"created_at": "2022-09-04T14:46:13.966088Z",
"structure_string": "Li24 Mn11 Cr1 O36\n1.0\n5.008069 0.000000 0.000000\n-0.879635 10.522655 0.000000\n-1.626148 -5.184298 11.823926\nLi Mn Cr O\n24 11 1 36\ndirect\n0.781528 0.058298 0.058512 Li\n0.666958 0.333475 0.083524 Li\n0.883368 0.274647 0.274320 Li\n0.333646 0.166940 0.166706 Li\n0.557894 0.607621 0.107893 Li\n0.000062 0.000110 0.250050 Li\n0.999684 0.500018 0.000228 Li\n0.777452 0.058740 0.558129 Li\n0.449416 0.390702 0.391806 Li\n0.666714 0.333419 0.583454 Li\n0.667592 0.833728 0.333310 Li\n0.108616 0.725495 0.224370 Li\n0.889237 0.274707 0.775258 Li\n0.333363 0.166739 0.666717 Li\n0.333841 0.667672 0.417654 Li\n0.552742 0.608691 0.608235 Li\n0.999136 0.499845 0.500282 Li\n0.222380 0.941419 0.441871 Li\n0.443594 0.391884 0.891629 Li\n0.666685 0.833357 0.833390 Li\n0.114198 0.724574 0.725195 Li\n0.333361 0.666727 0.916746 Li\n0.999998 0.999981 0.749971 Li\n0.219180 0.942066 0.941552 Li\n0.888991 0.777953 0.027953 Mn\n0.555604 0.111256 0.361274 Mn\n0.778098 0.555511 0.305286 Mn\n0.444300 0.888552 0.138563 Mn\n0.111002 0.221913 0.471925 Mn\n0.889025 0.778104 0.528117 Mn\n0.555669 0.111442 0.861394 Mn\n0.777583 0.555238 0.805213 Mn\n0.222310 0.444631 0.694604 Mn\n0.444380 0.888729 0.638734 Mn\n0.110846 0.221737 0.971991 Mn\n0.224340 0.446841 0.196859 Cr\n0.428159 0.139539 0.001637 O\n0.642968 0.075834 0.211967 O\n0.898804 0.529019 0.165149 O\n0.306728 0.409127 0.045331 O\n0.880308 0.044200 0.406266 O\n0.024941 0.256973 0.121021 O\n0.554042 0.377506 0.241200 O\n0.786459 0.289080 0.427120 O\n0.761307 0.806405 0.168458 O\n0.238608 0.193710 0.331556 O\n0.213776 0.710831 0.072972 O\n0.452329 0.621302 0.259318 O\n0.428179 0.139598 0.501735 O\n0.977656 0.742894 0.378926 O\n0.119560 0.955614 0.093644 O\n0.689287 0.590952 0.454874 O\n0.094476 0.471664 0.333628 O\n0.642902 0.075824 0.711817 O\n0.356987 0.923929 0.288009 O\n0.905221 0.526933 0.664811 O\n0.309601 0.409282 0.545179 O\n0.880248 0.044023 0.906102 O\n0.023635 0.257303 0.621304 O\n0.571810 0.860145 0.497954 O\n0.546971 0.377592 0.739590 O\n0.786026 0.288966 0.926953 O\n0.761382 0.806427 0.668425 O\n0.238515 0.193525 0.831411 O\n0.213570 0.710562 0.572705 O\n0.452794 0.622418 0.760267 O\n0.976375 0.742605 0.878613 O\n0.119715 0.955690 0.593754 O\n0.690208 0.590653 0.954518 O\n0.094755 0.472996 0.835007 O\n0.356940 0.923844 0.787848 O\n0.571963 0.860272 0.998214 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.727960370626698,
"density_atomic": 0.11555138568355212,
"volume": 623.0994078874872,
"volume_molar": 5.211656030237642,
"formula_full": "Li24 Mn11 Cr1 O36",
"formula_reduced": "Li24Mn11CrO36",
"formula_anonymous": "AB11C24D36",
"energy": -492.38582385,
"energy_per_atom": -6.8386919979166665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -447.30682385,
"band_gap": 1.2313,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.1039652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.290000Z",
"spacegroup": 1
},
{
"id": "mp-1176262",
"created_at": "2022-09-04T14:46:14.229388Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.034561 0.000000 0.000000\n0.303418 5.881703 0.000000\n0.721449 1.091626 9.608807\nLi Mn Co O\n9 2 5 16\ndirect\n0.621790 0.934643 0.252411 Li\n0.388525 0.567690 0.741315 Li\n0.125117 0.181861 0.254419 Li\n0.105090 0.681648 0.260282 Li\n0.873179 0.318715 0.748144 Li\n0.630349 0.438004 0.253846 Li\n0.381170 0.069664 0.744243 Li\n0.874653 0.806918 0.745827 Li\n0.748731 0.624511 0.499586 Li\n0.999183 0.003288 0.999828 Mn\n0.499545 0.746422 0.000360 Mn\n0.499959 0.251307 0.998880 Co\n0.256097 0.871022 0.501087 Co\n0.000393 0.498318 0.000831 Co\n0.750404 0.125305 0.500603 Co\n0.244464 0.379934 0.498694 Co\n0.796127 0.210020 0.117331 O\n0.543394 0.851595 0.611396 O\n0.299611 0.449039 0.114859 O\n0.304782 0.956398 0.117184 O\n0.097991 0.603440 0.606933 O\n0.801332 0.700376 0.120271 O\n0.554402 0.336698 0.608672 O\n0.084624 0.109404 0.607948 O\n0.402399 0.647485 0.391710 O\n0.201099 0.300061 0.884591 O\n0.945541 0.914731 0.391329 O\n0.958003 0.397310 0.388612 O\n0.697913 0.049374 0.880476 O\n0.416289 0.141143 0.392949 O\n0.193742 0.792285 0.883401 O\n0.704101 0.541392 0.881980 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.219433109247827,
"density_atomic": 0.11246459145728467,
"volume": 284.53399941575356,
"volume_molar": 5.354699360898206,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.62795007,
"energy_per_atom": -6.4883734396875,
"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:31.028000Z",
"spacegroup": 1
},
{
"id": "mp-768071",
"created_at": "2022-09-04T14:46:14.106521Z",
"structure_string": "Li5 Mn17 Si2 O32\n1.0\n8.633615 -0.025326 -0.003473\n-0.025942 8.428694 -0.046596\n-0.003787 -0.046920 8.348639\nLi Mn Si O\n5 17 2 32\ndirect\n0.000008 0.501495 0.505076 Li\n0.492016 0.498260 0.993573 Li\n0.498133 0.011698 0.503010 Li\n0.756418 0.246121 0.753935 Li\n0.002084 0.006760 0.997661 Li\n0.128759 0.873894 0.378766 Mn\n0.136491 0.621974 0.116051 Mn\n0.247985 0.747760 0.742119 Mn\n0.242455 0.248226 0.251445 Mn\n0.375696 0.363308 0.624032 Mn\n0.364563 0.121622 0.873679 Mn\n0.375286 0.626275 0.374298 Mn\n0.366506 0.876878 0.125642 Mn\n0.627252 0.370411 0.375432 Mn\n0.626579 0.126079 0.126115 Mn\n0.626242 0.621573 0.626748 Mn\n0.626181 0.878087 0.873458 Mn\n0.754265 0.746232 0.249871 Mn\n0.877970 0.135682 0.382084 Mn\n0.875216 0.375612 0.122917 Mn\n0.877902 0.878500 0.633974 Mn\n0.881664 0.623274 0.868840 Mn\n0.113350 0.132051 0.636617 Si\n0.120680 0.370182 0.864175 Si\n0.107457 0.125953 0.414500 O\n0.130407 0.578342 0.860753 O\n0.134745 0.387430 0.084623 O\n0.151806 0.633491 0.376947 O\n0.107664 0.914579 0.634382 O\n0.112392 0.155105 0.852951 O\n0.115845 0.345187 0.646517 O\n0.144943 0.855774 0.124591 O\n0.325961 0.125429 0.636610 O\n0.367074 0.646461 0.135967 O\n0.353821 0.885693 0.355794 O\n0.369760 0.102378 0.110001 O\n0.340263 0.355794 0.856420 O\n0.391257 0.607458 0.608809 O\n0.400803 0.363451 0.392712 O\n0.372832 0.890058 0.893805 O\n0.622380 0.373279 0.603413 O\n0.602098 0.886804 0.119565 O\n0.617991 0.108975 0.894406 O\n0.654535 0.883131 0.637619 O\n0.607371 0.607566 0.386111 O\n0.622015 0.358924 0.141815 O\n0.645457 0.141318 0.363961 O\n0.622820 0.644661 0.855119 O\n0.849400 0.389606 0.356384 O\n0.879537 0.855612 0.862834 O\n0.861814 0.646258 0.635694 O\n0.908235 0.385929 0.885809 O\n0.882579 0.144790 0.149483 O\n0.901701 0.872056 0.397189 O\n0.901771 0.112850 0.619679 O\n0.899569 0.613791 0.106107 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 4.20064817798528,
"density_atomic": 0.0921800372521383,
"volume": 607.5068059131313,
"volume_molar": 6.533020531905138,
"formula_full": "Li5 Mn17 Si2 O32",
"formula_reduced": "Li5Mn17(SiO16)2",
"formula_anonymous": "A2B5C17D32",
"energy": -455.6051912,
"energy_per_atom": -8.135806985714286,
"energy_above_hull": null,
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"energy_uncorrected": -405.2651912,
"band_gap": 0.3482000000000003,
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"updated_at": "2021-11-28T01:37:21.661000Z",
"spacegroup": 1
},
{
"id": "mp-1331264",
"created_at": "2022-09-04T14:46:14.118932Z",
"structure_string": "Na4 Al4 Si6 H8 O24\n1.0\n7.640121 0.000000 0.000000\n-0.240753 8.946551 0.000000\n-1.655317 -4.477833 7.707773\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.844034 0.120170 0.528499 Na\n0.361263 0.107036 0.894289 Na\n0.723780 0.623436 0.659003 Na\n0.925243 0.232928 0.074494 Na\n0.932107 0.605891 0.074164 Al\n0.716115 0.544075 0.322769 Al\n0.444536 0.017699 0.562212 Al\n0.954090 0.809102 0.401594 Al\n0.295913 0.797898 0.259919 Si\n0.583661 0.452814 0.006431 Si\n0.032125 0.973359 0.928540 Si\n0.602298 0.283453 0.668720 Si\n0.601489 0.036335 0.261938 Si\n0.147539 0.822473 0.729731 Si\n0.789795 0.718724 0.105359 H\n0.438376 0.583714 0.961374 H\n0.839714 0.949734 0.885775 H\n0.648853 0.459752 0.187575 H\n0.264333 0.111148 0.297622 H\n0.122530 0.236192 0.348404 H\n0.899649 0.261720 0.813866 H\n0.245186 0.488424 0.867965 H\n0.781219 0.524468 0.957516 O\n0.437694 0.358555 0.723101 O\n0.569795 0.243629 0.121388 O\n0.459549 0.482177 0.794324 O\n0.421166 0.615591 0.402500 O\n0.524262 0.097376 0.706724 O\n0.984251 0.449397 0.302161 O\n0.977945 0.833033 0.587434 O\n0.422368 0.963150 0.188326 O\n0.164206 0.847738 0.350136 O\n0.119271 0.637156 0.924615 O\n0.482566 0.656270 0.236602 O\n0.288727 0.165392 0.368605 O\n0.081591 0.138675 0.942282 O\n0.118665 0.495044 0.882864 O\n0.110544 0.979737 0.767639 O\n0.341922 0.833775 0.690755 O\n0.772569 0.303325 0.800234 O\n0.135825 0.787465 0.100200 O\n0.792462 0.983099 0.243107 O\n0.664559 0.343926 0.490167 O\n0.847721 0.626589 0.442496 O\n0.605288 0.976574 0.466109 O\n0.983204 0.278142 0.314111 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Na-O-Si",
"density": 2.3968091532216835,
"density_atomic": 0.08731181919405079,
"volume": 526.8473435167449,
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"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n10.430112 0.000000 0.000000\n-0.701628 5.306029 0.000000\n-2.028244 -2.718284 6.665854\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.813216 0.041080 0.429541 Li\n0.810567 0.539866 0.427890 Li\n0.187571 0.459932 0.573723 Li\n0.188232 0.958035 0.569788 Li\n0.999348 0.498884 0.001084 Mn\n0.500259 0.748577 0.499847 Mn\n0.002609 0.002075 0.000519 V\n0.498381 0.250405 0.497687 V\n0.761522 0.221361 0.118549 P\n0.235406 0.279202 0.878054 P\n0.762815 0.722456 0.119422 P\n0.240312 0.777629 0.882277 P\n0.913622 0.142526 0.161504 O\n0.612911 0.182099 0.825543 O\n0.656759 0.177464 0.315620 O\n0.115002 0.120925 0.780153 O\n0.882545 0.379830 0.217682 O\n0.340273 0.323303 0.682299 O\n0.383218 0.318062 0.171420 O\n0.081126 0.357350 0.834236 O\n0.911684 0.639855 0.160114 O\n0.614028 0.683562 0.825629 O\n0.660962 0.679600 0.321244 O\n0.114733 0.619670 0.782876 O\n0.888496 0.879798 0.218376 O\n0.342999 0.821778 0.681566 O\n0.388654 0.816476 0.177280 O\n0.092317 0.859671 0.844195 O\n0.263615 0.068372 0.337271 F\n0.725023 0.430462 0.649918 F\n0.264664 0.560116 0.342363 F\n0.747132 0.939582 0.672330 F\n",
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{
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}