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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10236",
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"results": [
{
"id": "mp-27224",
"created_at": "2022-09-04T14:47:25.665564Z",
"structure_string": "Na8 Co2 O8\n1.0\n5.803598 0.000000 0.000000\n-1.980431 -5.468823 0.000000\n-2.361226 0.690527 -7.719955\nNa Co O\n8 2 8\ndirect\n0.456916 0.229208 0.428838 Na\n0.266310 0.741035 0.161789 Na\n0.920285 0.716868 0.377100 Na\n0.288136 0.243008 0.015144 Na\n0.733690 0.258965 0.838211 Na\n0.543084 0.770792 0.571162 Na\n0.079715 0.283132 0.622900 Na\n0.711864 0.756992 0.984856 Na\n0.090318 0.779125 0.750108 Co\n0.909682 0.220875 0.249892 Co\n0.672091 0.998367 0.326892 O\n0.734131 0.396220 0.118272 O\n0.265869 0.603780 0.881728 O\n0.929483 0.974657 0.794541 O\n0.327909 0.001633 0.673108 O\n0.807726 0.527413 0.628988 O\n0.070517 0.025343 0.205459 O\n0.192274 0.472587 0.371012 O\n",
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"formula_full": "Na8 Co2 O8",
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"spacegroup": 2
},
{
"id": "mp-1203116",
"created_at": "2022-09-04T14:47:25.392318Z",
"structure_string": "Ga2 B4 P4 O24\n1.0\n3.486106 8.685059 0.000000\n-3.486106 8.685059 0.000000\n0.000000 2.422011 6.625682\nGa B P O\n2 4 4 24\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.182016 0.627385 0.102043 B\n0.372615 0.817984 0.397958 B\n0.817984 0.372615 0.897958 B\n0.627385 0.182016 0.602043 B\n0.524966 0.775395 0.708086 P\n0.224605 0.475034 0.791914 P\n0.475034 0.224605 0.291914 P\n0.775395 0.524966 0.208086 P\n0.943310 0.408781 0.341852 O\n0.591219 0.056690 0.158148 O\n0.056690 0.591219 0.658148 O\n0.408781 0.943310 0.841852 O\n0.742452 0.700947 0.054264 O\n0.299053 0.257548 0.445736 O\n0.257548 0.299053 0.945736 O\n0.700947 0.742452 0.554264 O\n0.394682 0.431429 0.148237 O\n0.568571 0.605318 0.351763 O\n0.605318 0.568571 0.851763 O\n0.431429 0.394682 0.648237 O\n0.643298 0.151633 0.401836 O\n0.848367 0.356702 0.098164 O\n0.356702 0.848367 0.598164 O\n0.151633 0.643298 0.901836 O\n0.811244 0.141862 0.606086 O\n0.858138 0.188756 0.893914 O\n0.188756 0.858138 0.393914 O\n0.141862 0.811244 0.106086 O\n0.673894 0.017449 0.757904 O\n0.982551 0.326106 0.742096 O\n0.326106 0.982551 0.242096 O\n0.017449 0.673894 0.257904 O\n",
"nsites": 34,
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"elements": [
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"B",
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],
"chemical_system": "B-Ga-O-P",
"density": 2.8581384832854475,
"density_atomic": 0.08474322195220847,
"volume": 401.21202872336545,
"volume_molar": 7.106339151697852,
"formula_full": "Ga2 B4 P4 O24",
"formula_reduced": "GaB2(PO6)2",
"formula_anonymous": "AB2C2D12",
"energy": -241.18842294,
"energy_per_atom": -7.093777145294118,
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"updated_at": "2021-11-28T01:38:04.666000Z",
"spacegroup": 15
},
{
"id": "mp-1221478",
"created_at": "2022-09-04T14:41:13.680814Z",
"structure_string": "Na4 Cd4 Fe2 P6 O24\n1.0\n6.465240 6.227069 0.000000\n-6.465240 6.227069 0.000000\n0.000000 2.829353 6.073606\nNa Cd Fe P O\n4 4 2 6 24\ndirect\n0.028024 0.971976 0.000000 Na\n0.980147 0.019853 0.500000 Na\n0.501559 0.500600 0.246491 Na\n0.499400 0.498441 0.753509 Na\n0.922991 0.625142 0.398600 Cd\n0.374858 0.077009 0.601400 Cd\n0.273924 0.726076 0.500000 Cd\n0.728441 0.271559 0.000000 Cd\n0.067873 0.384866 0.111723 Fe\n0.615134 0.932127 0.888277 Fe\n0.287435 0.712565 0.000000 P\n0.723071 0.276929 0.500000 P\n0.658266 0.875141 0.374726 P\n0.124859 0.341734 0.625274 P\n0.341969 0.133138 0.117167 P\n0.866862 0.658031 0.882833 P\n0.261663 0.537773 0.004667 O\n0.462227 0.738337 0.995333 O\n0.732690 0.429612 0.557615 O\n0.570388 0.267310 0.442385 O\n0.181162 0.745445 0.206055 O\n0.254555 0.818838 0.793945 O\n0.854386 0.262210 0.292234 O\n0.737790 0.145614 0.707766 O\n0.834913 0.858462 0.335118 O\n0.141538 0.165087 0.664882 O\n0.178917 0.190131 0.109610 O\n0.809869 0.821083 0.890390 O\n0.550570 0.719673 0.428881 O\n0.280327 0.449430 0.571119 O\n0.459905 0.275707 0.081059 O\n0.724293 0.540095 0.918941 O\n0.604700 0.944796 0.567589 O\n0.055204 0.395300 0.432411 O\n0.409479 0.054210 0.935683 O\n0.945790 0.590521 0.064317 O\n0.647133 0.994051 0.153270 O\n0.005949 0.352867 0.846730 O\n0.305707 0.003963 0.344304 O\n0.996037 0.694293 0.655696 O\n",
"nsites": 40,
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"elements": [
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"Cd",
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"P",
"O"
],
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"density_atomic": 0.08179279536852911,
"volume": 489.04062784227256,
"volume_molar": 7.36267874556235,
"formula_full": "Na4 Cd4 Fe2 P6 O24",
"formula_reduced": "Na2Cd2Fe(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -271.93982170000004,
"energy_per_atom": -6.798495542500001,
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"updated_at": "2021-11-28T01:35:15.637000Z",
"spacegroup": 5
},
{
"id": "mp-504611",
"created_at": "2022-09-04T14:47:26.880609Z",
"structure_string": "Cs4 Na2 Fe2 F12\n1.0\n10.512393 -3.185773 0.000000\n10.512393 3.185773 0.000000\n9.546947 0.000000 5.432804\nCs Na Fe F\n4 2 2 12\ndirect\n0.127502 0.127502 0.127502 Cs\n0.872498 0.872498 0.872498 Cs\n0.282023 0.282023 0.282023 Cs\n0.717977 0.717977 0.717977 Cs\n0.402857 0.402857 0.402857 Na\n0.597143 0.597143 0.597143 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.177333 0.604296 0.604296 F\n0.604296 0.604296 0.177333 F\n0.604296 0.177333 0.604296 F\n0.395704 0.822667 0.395704 F\n0.822667 0.395704 0.395704 F\n0.395704 0.395704 0.822667 F\n0.258703 0.815960 0.815960 F\n0.815960 0.815960 0.258703 F\n0.815960 0.258703 0.815960 F\n0.184040 0.741297 0.184040 F\n0.741297 0.184040 0.184040 F\n0.184040 0.184040 0.741297 F\n",
"nsites": 20,
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"elements": [
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"Na",
"Fe",
"F"
],
"chemical_system": "Cs-F-Fe-Na",
"density": 4.1857845737483785,
"density_atomic": 0.054961622792371115,
"volume": 363.89027441118566,
"volume_molar": 10.95699226849593,
"formula_full": "Cs4 Na2 Fe2 F12",
"formula_reduced": "Cs2NaFeF6",
"formula_anonymous": "ABC2D6",
"energy": -104.77513967,
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"updated_at": "2021-11-28T01:38:08.904000Z",
"spacegroup": 166
},
{
"id": "mp-694534",
"created_at": "2022-09-04T14:43:20.353441Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n2.497445 7.831649 0.000000\n-2.497445 7.831649 0.000000\n0.000000 3.380998 8.137737\nLi Fe P O\n2 2 4 14\ndirect\n0.141341 0.465860 0.548983 Li\n0.465860 0.141341 0.048983 Li\n0.510362 0.500084 0.502812 Fe\n0.500084 0.510362 0.002812 Fe\n0.769680 0.037413 0.312678 P\n0.970401 0.234063 0.188494 P\n0.234063 0.970401 0.688494 P\n0.037413 0.769680 0.812678 P\n0.377433 0.815268 0.844055 O\n0.036428 0.968481 0.252022 O\n0.253982 0.564027 0.935788 O\n0.424917 0.763949 0.560997 O\n0.763949 0.424917 0.060997 O\n0.968481 0.036428 0.752022 O\n0.894626 0.762588 0.381772 O\n0.815268 0.377433 0.344055 O\n0.762588 0.894626 0.881772 O\n0.111426 0.245574 0.625858 O\n0.564027 0.253982 0.435788 O\n0.619074 0.189547 0.156695 O\n0.245574 0.111426 0.125858 O\n0.189547 0.619074 0.656695 O\n",
"nsites": 22,
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"elements": [
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"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.4697236339612916,
"density_atomic": 0.06910983999544033,
"volume": 318.3338291833912,
"volume_molar": 8.713868763691718,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -164.21558451,
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"updated_at": "2021-11-28T01:36:07.240000Z",
"spacegroup": 9
},
{
"id": "mp-1193024",
"created_at": "2022-09-04T14:40:12.900561Z",
"structure_string": "Cs4 Fe2 H4 Cl10 O2\n1.0\n-7.558445 0.000000 0.000000\n0.000000 0.000000 -8.321330\n3.779222 -8.962092 0.000000\nCs Fe H Cl O\n4 2 4 10 2\ndirect\n0.529110 0.750000 0.058220 Cs\n0.470890 0.250000 0.941780 Cs\n0.247185 0.750000 0.494369 Cs\n0.752815 0.250000 0.505631 Cs\n0.879942 0.750000 0.759884 Fe\n0.120058 0.250000 0.240116 Fe\n0.033472 0.654100 0.066944 H\n0.966528 0.345900 0.933056 H\n0.033472 0.845900 0.066944 H\n0.966528 0.154100 0.933056 H\n0.750129 0.750000 0.500257 Cl\n0.249871 0.250000 0.499743 Cl\n0.111777 0.956329 0.778858 Cl\n0.332919 0.043671 0.221142 Cl\n0.111777 0.543671 0.778858 Cl\n0.332919 0.456329 0.221142 Cl\n0.888223 0.043671 0.221142 Cl\n0.667081 0.956329 0.778858 Cl\n0.888223 0.456329 0.221142 Cl\n0.667081 0.543671 0.778858 Cl\n0.002099 0.750000 0.004199 O\n0.997901 0.250000 0.995801 O\n",
"nsites": 22,
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"elements": [
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"Cl",
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],
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"volume": 563.6825626726318,
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"formula_full": "Cs4 Fe2 H4 Cl10 O2",
"formula_reduced": "Cs2FeH2Cl5O",
"formula_anonymous": "ABC2D2E5",
"energy": -98.66575332,
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"updated_at": "2021-11-28T01:34:53.352000Z",
"spacegroup": 63
},
{
"id": "mp-1190648",
"created_at": "2022-09-04T14:48:09.351732Z",
"structure_string": "Y6 Mn2 Al2 S14\n1.0\n4.852705 -8.405131 0.000000\n4.852705 8.405131 0.000000\n0.000000 0.000000 6.130002\nY Mn Al S\n6 2 2 14\ndirect\n0.766813 0.144537 0.735105 Y\n0.377724 0.233187 0.735105 Y\n0.855463 0.622276 0.735105 Y\n0.233187 0.855463 0.235105 Y\n0.622276 0.766813 0.235105 Y\n0.144537 0.377724 0.235105 Y\n0.000000 0.000000 0.528494 Mn\n0.000000 0.000000 0.028494 Mn\n0.666667 0.333333 0.160641 Al\n0.333333 0.666667 0.660641 Al\n0.855561 0.099569 0.311356 S\n0.244007 0.144439 0.311356 S\n0.900431 0.755993 0.311356 S\n0.144439 0.900431 0.811356 S\n0.755993 0.855561 0.811356 S\n0.099569 0.244007 0.811356 S\n0.905616 0.422146 0.002742 S\n0.516530 0.094384 0.002742 S\n0.577854 0.483470 0.002742 S\n0.094384 0.577854 0.502742 S\n0.483470 0.905616 0.502742 S\n0.422146 0.516530 0.502742 S\n0.666667 0.333333 0.527307 S\n0.333333 0.666667 0.027307 S\n",
"nsites": 24,
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"elements": [
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"Mn",
"Al",
"S"
],
"chemical_system": "Al-Mn-S-Y",
"density": 3.806138178426283,
"density_atomic": 0.047994586266114705,
"volume": 500.0563994223773,
"volume_molar": 12.547541771918079,
"formula_full": "Y6 Mn2 Al2 S14",
"formula_reduced": "Y3MnAlS7",
"formula_anonymous": "ABC3D7",
"energy": -168.11231974,
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"updated_at": "2021-11-28T01:38:29.811000Z",
"spacegroup": 173
},
{
"id": "mp-771039",
"created_at": "2022-09-04T14:45:17.342843Z",
"structure_string": "Na2 Li4 Mn2 P2 C2 O14\n1.0\n0.079249 -0.028384 5.128739\n8.706636 0.131441 0.163654\n0.100112 6.700134 -0.037093\nNa Li Mn P C O\n2 4 2 2 2 14\ndirect\n0.746158 0.088274 0.240752 Na\n0.752641 0.750563 0.499431 Na\n0.225542 0.281086 0.033534 Li\n0.229313 0.274772 0.468204 Li\n0.777003 0.716318 0.958271 Li\n0.248552 0.906693 0.789533 Li\n0.229452 0.650969 0.238650 Mn\n0.783335 0.349726 0.747814 Mn\n0.723017 0.418241 0.241121 P\n0.294092 0.582660 0.749015 P\n0.719169 0.036517 0.764309 C\n0.261671 0.958145 0.253699 C\n0.277480 0.107372 0.256206 O\n0.965193 0.066070 0.762145 O\n0.544533 0.148975 0.747739 O\n0.826215 0.321370 0.065732 O\n0.835603 0.334368 0.432854 O\n0.416487 0.419668 0.243846 O\n0.194402 0.415586 0.759779 O\n0.809904 0.586783 0.222989 O\n0.597906 0.572133 0.768093 O\n0.211444 0.669804 0.553207 O\n0.180573 0.684103 0.918911 O\n0.471656 0.870379 0.249682 O\n0.038054 0.893296 0.251689 O\n0.640604 0.896129 0.782794 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"P",
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],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.740949407745161,
"density_atomic": 0.08694959872451935,
"volume": 299.02380668110123,
"volume_molar": 6.926013286248539,
"formula_full": "Na2 Li4 Mn2 P2 C2 O14",
"formula_reduced": "NaLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -189.38051496,
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"updated_at": "2021-11-28T01:36:57.677000Z",
"spacegroup": 1
},
{
"id": "mp-690617",
"created_at": "2022-09-04T14:40:17.440361Z",
"structure_string": "Li1 Mn3 Al2 H6 O12\n1.0\n4.414017 2.592384 0.000000\n-4.414017 2.592384 0.000000\n0.000000 1.809664 9.529923\nLi Mn Al H O\n1 3 2 6 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.664830 0.335170 0.000000 Mn\n0.335170 0.664830 0.000000 Mn\n0.166814 0.833186 0.500000 Al\n0.833186 0.166814 0.500000 Al\n0.224967 0.224967 0.293058 H\n0.918737 0.569982 0.293429 H\n0.569982 0.918737 0.293429 H\n0.430018 0.081263 0.706571 H\n0.081263 0.430018 0.706571 H\n0.775033 0.775033 0.706942 H\n0.170268 0.170268 0.395796 O\n0.326054 0.326054 0.108834 O\n0.899231 0.536452 0.396161 O\n0.962457 0.625891 0.101113 O\n0.536452 0.899231 0.396161 O\n0.625891 0.962457 0.101113 O\n0.374109 0.037543 0.898887 O\n0.463548 0.100769 0.603839 O\n0.037543 0.374109 0.898887 O\n0.100769 0.463548 0.603839 O\n0.673946 0.673946 0.891166 O\n0.829732 0.829732 0.604204 O\n",
"nsites": 24,
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"elements": [
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"H",
"O"
],
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"density": 3.226375825735103,
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"volume": 218.0985213114585,
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{
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"structure_string": "Na4 Mn2 H8 Se4 O20\n1.0\n-0.001528 0.000000 5.790689\n5.798978 0.000000 -1.642554\n0.000000 13.704505 0.000000\nNa Mn H Se O\n4 2 8 4 20\ndirect\n0.737831 0.573433 0.376946 Na\n0.762169 0.426567 0.876946 Na\n0.262169 0.426567 0.623054 Na\n0.237831 0.573433 0.123054 Na\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.496031 0.905762 0.301266 H\n0.003969 0.094238 0.801266 H\n0.503969 0.094238 0.698734 H\n0.996031 0.905762 0.198734 H\n0.310100 0.694998 0.350888 H\n0.189900 0.305002 0.850888 H\n0.689900 0.305002 0.649112 H\n0.810100 0.694998 0.149112 H\n0.066564 0.224205 0.381530 Se\n0.433436 0.775795 0.881530 Se\n0.933436 0.775795 0.618470 Se\n0.566564 0.224205 0.118470 Se\n0.004338 0.972914 0.323217 O\n0.495662 0.027086 0.823217 O\n0.995662 0.027086 0.676783 O\n0.504338 0.972914 0.176783 O\n0.322917 0.267184 0.446895 O\n0.177083 0.732816 0.946895 O\n0.677083 0.732816 0.553105 O\n0.822917 0.267184 0.053105 O\n0.842074 0.234322 0.458892 O\n0.657926 0.765678 0.958892 O\n0.157926 0.765678 0.541108 O\n0.342074 0.234322 0.041108 O\n0.091306 0.449070 0.306591 O\n0.408694 0.550930 0.806591 O\n0.908694 0.550930 0.693409 O\n0.591306 0.449070 0.193409 O\n0.466334 0.812726 0.362179 O\n0.033666 0.187274 0.862179 O\n0.533666 0.187274 0.637821 O\n0.966334 0.812726 0.137821 O\n",
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}