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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12187",
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"results": [
{
"id": "mp-1223736",
"created_at": "2022-09-04T14:41:53.286312Z",
"structure_string": "K6 Na3 Ti2 Al2 Si8 Cl3 O26\n1.0\n9.248230 0.000000 0.000000\n-1.395244 9.679032 0.000000\n-1.389282 -4.391987 8.626048\nK Na Ti Al Si Cl O\n6 3 2 2 8 3 26\ndirect\n0.892823 0.650990 0.933934 K\n0.892540 0.933957 0.651167 K\n0.107177 0.349010 0.066066 K\n0.107460 0.066043 0.348833 K\n0.636996 0.892584 0.908638 K\n0.363004 0.107416 0.091362 K\n0.500004 0.616646 0.383484 Na\n0.499996 0.383354 0.616516 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000032 0.684044 0.316015 Al\n0.999968 0.315956 0.683985 Al\n0.735771 0.176695 0.372583 Si\n0.735922 0.372542 0.176601 Si\n0.264229 0.823305 0.627417 Si\n0.264078 0.627458 0.823399 Si\n0.723118 0.838427 0.264610 Si\n0.723011 0.264290 0.838412 Si\n0.276882 0.161573 0.735390 Si\n0.276989 0.735710 0.161588 Si\n0.275927 0.381953 0.381885 Cl\n0.724073 0.618047 0.618115 Cl\n0.000000 0.000000 0.000000 Cl\n0.646207 0.701824 0.090389 O\n0.646018 0.090430 0.701451 O\n0.353793 0.298176 0.909611 O\n0.353982 0.909570 0.298549 O\n0.747184 0.002251 0.246472 O\n0.747149 0.246579 0.002331 O\n0.252816 0.997749 0.753528 O\n0.252851 0.753421 0.997669 O\n0.890379 0.818347 0.324350 O\n0.890403 0.324452 0.818430 O\n0.109621 0.181653 0.675650 O\n0.109597 0.675548 0.181570 O\n0.897870 0.261383 0.494961 O\n0.897891 0.495054 0.261441 O\n0.102130 0.738617 0.505039 O\n0.102109 0.504946 0.738559 O\n0.631087 0.862081 0.400812 O\n0.631088 0.400829 0.862192 O\n0.368913 0.137919 0.599188 O\n0.368912 0.599171 0.137808 O\n0.702902 0.268968 0.268961 O\n0.297098 0.731032 0.731039 O\n0.596925 0.164752 0.454000 O\n0.596868 0.453824 0.164731 O\n0.403075 0.835248 0.546000 O\n0.403132 0.546176 0.835269 O\n",
"nsites": 50,
"nelements": 7,
"elements": [
"K",
"Na",
"Ti",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-K-Na-O-Si-Ti",
"density": 2.5812528358415316,
"density_atomic": 0.0647541469103768,
"volume": 772.1513198097208,
"volume_molar": 9.30000787182783,
"formula_full": "K6 Na3 Ti2 Al2 Si8 Cl3 O26",
"formula_reduced": "K6Na3Ti2Al2Si8Cl3O26",
"formula_anonymous": "A2B2C3D3E6F8G26",
"energy": -363.3851342,
"energy_per_atom": -7.267702684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -343.6811342,
"band_gap": 3.2034,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.755000Z",
"spacegroup": 2
},
{
"id": "mp-728213",
"created_at": "2022-09-04T14:41:47.274840Z",
"structure_string": "Zn2 Cr2 H56 C12 N24 Cl10 O16\n1.0\n10.737672 0.000000 0.000000\n-3.512817 10.431430 0.000000\n-2.703693 -3.737585 12.591787\nZn Cr H C N Cl O\n2 2 56 12 24 10 16\ndirect\n0.406524 0.698142 0.669578 Zn\n0.593476 0.301858 0.330422 Zn\n0.960059 0.957298 0.237903 Cr\n0.039941 0.042702 0.762097 Cr\n0.869481 0.290861 0.164160 H\n0.130519 0.709139 0.835840 H\n0.022540 0.393196 0.145668 H\n0.977460 0.606804 0.854332 H\n0.217478 0.323534 0.182103 H\n0.782522 0.676466 0.817897 H\n0.179084 0.156980 0.186808 H\n0.820916 0.843020 0.813192 H\n0.523624 0.833651 0.349921 H\n0.476376 0.166349 0.650079 H\n0.619592 0.002280 0.366023 H\n0.380408 0.997720 0.633977 H\n0.756497 0.713595 0.250232 H\n0.243503 0.286405 0.749768 H\n0.598287 0.667701 0.275473 H\n0.401713 0.332299 0.724527 H\n0.671955 0.617081 0.957677 H\n0.328045 0.382919 0.042323 H\n0.549408 0.683629 0.914897 H\n0.450592 0.316371 0.085103 H\n0.730881 0.001334 0.103642 H\n0.269119 0.998666 0.896358 H\n0.582639 0.901992 0.998078 H\n0.417361 0.098008 0.001922 H\n0.958380 0.726095 0.081684 H\n0.041620 0.273905 0.918316 H\n0.089434 0.662010 0.075505 H\n0.910566 0.337990 0.924495 H\n0.315955 0.816152 0.124740 H\n0.684045 0.183848 0.875260 H\n0.352991 0.977821 0.202096 H\n0.647009 0.022179 0.797904 H\n0.093045 0.606557 0.376228 H\n0.906955 0.393443 0.623772 H\n0.937856 0.575392 0.279655 H\n0.062144 0.424608 0.720345 H\n0.270804 0.823991 0.402818 H\n0.729196 0.176009 0.597182 H\n0.214550 0.955877 0.392929 H\n0.785450 0.044123 0.607071 H\n0.329791 0.259715 0.456340 H\n0.670209 0.740285 0.543660 H\n0.274005 0.381282 0.518032 H\n0.725995 0.618718 0.481968 H\n0.030093 0.332493 0.468374 H\n0.969907 0.667507 0.531626 H\n0.920850 0.167959 0.394464 H\n0.079150 0.832041 0.605536 H\n0.377243 0.625042 0.374111 H\n0.622757 0.374958 0.625889 H\n0.313829 0.631830 0.261069 H\n0.686171 0.368170 0.738931 H\n0.730197 0.407299 0.153241 H\n0.269803 0.592701 0.846759 H\n0.776898 0.494951 0.079130 H\n0.223102 0.505049 0.920870 H\n0.017783 0.215462 0.175996 C\n0.982217 0.784538 0.824004 C\n0.702407 0.870431 0.305580 C\n0.297593 0.129569 0.694420 C\n0.712919 0.808817 0.043322 C\n0.287081 0.191183 0.956678 C\n0.150658 0.865481 0.136994 C\n0.849342 0.134519 0.863006 C\n0.064421 0.769945 0.337663 C\n0.935579 0.230055 0.662337 C\n0.123695 0.201752 0.422973 C\n0.876305 0.798248 0.577027 C\n0.970006 0.312885 0.167730 N\n0.029994 0.687115 0.832270 N\n0.148508 0.234694 0.181051 N\n0.851492 0.765306 0.818949 N\n0.610243 0.905163 0.346132 N\n0.389757 0.094837 0.653868 N\n0.678822 0.740533 0.266557 N\n0.321178 0.259467 0.733443 N\n0.635608 0.692530 0.968569 N\n0.364392 0.307470 0.031431 N\n0.668098 0.910010 0.052315 N\n0.331902 0.089990 0.947685 N\n0.059228 0.741871 0.089153 N\n0.940772 0.258129 0.910847 N\n0.285027 0.893335 0.145173 N\n0.714973 0.106665 0.854827 N\n0.031036 0.639750 0.330599 N\n0.968964 0.360250 0.669401 N\n0.192490 0.857718 0.389073 N\n0.807510 0.142282 0.610927 N\n0.252671 0.286155 0.474808 N\n0.747329 0.713845 0.525192 N\n0.017267 0.237775 0.430228 N\n0.982733 0.762225 0.569772 N\n0.783396 0.468795 0.907889 Cl\n0.216604 0.531205 0.092111 Cl\n0.192946 0.577528 0.554501 Cl\n0.807054 0.422472 0.445499 Cl\n0.516482 0.554211 0.691222 Cl\n0.483518 0.445789 0.308778 Cl\n0.523967 0.859246 0.602880 Cl\n0.476033 0.140754 0.397120 Cl\n0.389916 0.804419 0.833672 Cl\n0.610084 0.195581 0.166328 Cl\n0.933465 0.104252 0.180004 O\n0.066535 0.895748 0.819996 O\n0.810356 0.964763 0.304062 O\n0.189644 0.035237 0.695938 O\n0.826199 0.817654 0.104572 O\n0.173801 0.182346 0.895428 O\n0.115211 0.962981 0.173356 O\n0.884789 0.037019 0.826644 O\n0.968610 0.805953 0.294720 O\n0.031390 0.194047 0.705280 O\n0.106149 0.084379 0.367528 O\n0.893851 0.915621 0.632472 O\n0.355682 0.686243 0.336333 O\n0.644318 0.313757 0.663667 O\n0.785662 0.497922 0.154319 O\n0.214338 0.502078 0.845681 O\n",
"nsites": 122,
"nelements": 7,
"elements": [
"Zn",
"Cr",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Cr-H-N-O-Zn",
"density": 1.6271816576737763,
"density_atomic": 0.08650047262156124,
"volume": 1410.3969181041225,
"volume_molar": 6.961974400240342,
"formula_full": "Zn2 Cr2 H56 C12 N24 Cl10 O16",
"formula_reduced": "ZnCrH28C6N12Cl5O8",
"formula_anonymous": "ABC5D6E8F12G28",
"energy": -726.47793671,
"energy_per_atom": -5.954737186147541,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -696.68393671,
"band_gap": 3.4335,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0148159,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.368000Z",
"spacegroup": 2
},
{
"id": "mp-1221913",
"created_at": "2022-09-04T14:47:06.138677Z",
"structure_string": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78\n1.0\n-0.001022 0.000000 -6.913751\n0.000000 13.433944 0.000000\n16.360366 -6.716972 -3.454467\nNa Mg Mn Be Si Sn O\n6 4 8 12 18 6 78\ndirect\n0.499195 0.500437 0.001393 Na\n0.833775 0.167309 0.333723 Na\n0.166903 0.833719 0.667099 Na\n0.499558 0.000252 0.999610 Na\n0.834138 0.665711 0.331940 Na\n0.166431 0.333287 0.666235 Na\n0.666667 0.712681 0.166667 Mg\n0.000309 0.380320 0.500083 Mg\n0.333024 0.046904 0.833250 Mg\n0.166667 0.453928 0.166667 Mg\n0.499994 0.121706 0.499949 Mn\n0.833339 0.788423 0.833384 Mn\n0.833845 0.545844 0.833678 Mn\n0.166667 0.214778 0.166667 Mn\n0.499488 0.878833 0.499655 Mn\n0.334023 0.286276 0.834068 Mn\n0.666667 0.952510 0.166667 Mn\n0.999310 0.618875 0.499265 Mn\n0.569653 0.204519 0.912795 Be\n0.904672 0.870656 0.245466 Be\n0.235673 0.538002 0.579335 Be\n0.514974 0.707743 0.913265 Be\n0.851423 0.376246 0.246107 Be\n0.181602 0.041078 0.579949 Be\n0.428661 0.791856 0.087867 Be\n0.763680 0.458392 0.420538 Be\n0.097661 0.125334 0.753999 Be\n0.481910 0.296805 0.087226 Be\n0.818359 0.961144 0.420068 Be\n0.151732 0.627797 0.753385 Be\n0.332972 0.501534 0.833795 Si\n0.666667 0.168336 0.166667 Si\n0.000361 0.834405 0.499538 Si\n0.833828 0.331332 0.833614 Si\n0.166667 0.998127 0.166667 Si\n0.499505 0.664384 0.499719 Si\n0.166667 0.666877 0.166667 Si\n0.500001 0.336080 0.500016 Si\n0.833332 0.002731 0.833317 Si\n0.666667 0.499903 0.166667 Si\n0.999946 0.167384 0.500028 Si\n0.333387 0.834023 0.833305 Si\n0.865104 0.750338 0.000787 Si\n0.198458 0.416997 0.333168 Si\n0.531485 0.083241 0.667337 Si\n0.134875 0.250495 0.000165 Si\n0.468229 0.916218 0.332546 Si\n0.801849 0.582572 0.665997 Si\n0.999215 0.500667 0.001700 Sn\n0.331562 0.167238 0.333828 Sn\n0.665356 0.833490 0.667112 Sn\n0.001771 0.000076 0.999505 Sn\n0.334118 0.665634 0.331633 Sn\n0.667978 0.333046 0.666222 Sn\n0.372096 0.718321 0.143397 O\n0.706262 0.385901 0.476926 O\n0.039602 0.052400 0.810071 O\n0.484848 0.425113 0.143400 O\n0.822036 0.090148 0.475137 O\n0.155276 0.756855 0.808527 O\n0.154350 0.552208 0.807939 O\n0.486754 0.218985 0.141302 O\n0.820535 0.885995 0.475075 O\n0.038184 0.255237 0.808192 O\n0.370678 0.921918 0.141498 O\n0.704544 0.588589 0.474637 O\n0.628789 0.280618 0.858696 O\n0.962655 0.947087 0.191835 O\n0.295150 0.613712 0.525142 O\n0.512798 0.577585 0.858258 O\n0.846579 0.244350 0.192031 O\n0.178984 0.910936 0.525395 O\n0.848485 0.448380 0.189933 O\n0.178058 0.114995 0.524807 O\n0.511297 0.781677 0.858196 O\n0.961237 0.741591 0.189936 O\n0.293731 0.408996 0.523263 O\n0.627071 0.075641 0.856407 O\n0.991169 0.851077 0.000218 O\n0.325827 0.518127 0.335052 O\n0.657603 0.184118 0.666844 O\n0.008573 0.149903 0.001227 O\n0.341462 0.816478 0.334681 O\n0.673560 0.483068 0.668229 O\n0.007506 0.349740 0.998281 O\n0.342164 0.017526 0.333115 O\n0.675731 0.683941 0.666490 O\n0.991871 0.648463 0.998652 O\n0.324760 0.315343 0.332106 O\n0.659774 0.981506 0.665105 O\n0.168214 0.545540 0.091667 O\n0.502536 0.214633 0.424311 O\n0.836042 0.881155 0.757658 O\n0.740093 0.546139 0.091631 O\n0.074560 0.213197 0.425192 O\n0.408111 0.879701 0.758389 O\n0.407777 0.380507 0.758307 O\n0.741102 0.047544 0.091306 O\n0.075581 0.714765 0.423897 O\n0.834614 0.375294 0.757589 O\n0.167727 0.042575 0.090969 O\n0.500481 0.708953 0.424177 O\n0.832852 0.451443 0.909156 O\n0.165607 0.118273 0.242365 O\n0.498719 0.784371 0.575744 O\n0.257752 0.457535 0.909436 O\n0.592232 0.122905 0.242028 O\n0.925556 0.788866 0.575026 O\n0.593241 0.621175 0.241703 O\n0.925222 0.287978 0.574944 O\n0.258773 0.954672 0.908141 O\n0.165120 0.620540 0.241667 O\n0.497291 0.290162 0.575675 O\n0.830797 0.956989 0.909022 O\n0.763976 0.710756 0.918068 O\n0.098665 0.379434 0.250921 O\n0.430930 0.043566 0.584469 O\n0.316798 0.206352 0.917070 O\n0.649993 0.872861 0.250008 O\n0.983132 0.538628 0.583906 O\n0.234669 0.295180 0.082413 O\n0.569357 0.959353 0.415265 O\n0.902403 0.625764 0.748864 O\n0.683341 0.789520 0.083326 O\n0.016535 0.455949 0.416263 O\n0.350201 0.121389 0.749427 O\n0.386424 0.748867 0.000399 O\n0.720878 0.415782 0.333398 O\n0.052590 0.082392 0.666968 O\n0.612455 0.249050 0.999935 O\n0.946909 0.915135 0.332934 O\n0.280744 0.582091 0.666366 O\n",
"nsites": 132,
"nelements": 7,
"elements": [
"Na",
"Mg",
"Mn",
"Be",
"Si",
"Sn",
"O"
],
"chemical_system": "Be-Mg-Mn-Na-O-Si-Sn",
"density": 3.5499017523894887,
"density_atomic": 0.08686605390593886,
"volume": 1519.5809417443263,
"volume_molar": 6.932674490452798,
"formula_full": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78",
"formula_reduced": "Na3Mg2Mn4Be6Si9(SnO13)3",
"formula_anonymous": "A2B3C3D4E6F9G39",
"energy": -985.49560977,
"energy_per_atom": -7.465875831590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -918.56560977,
"band_gap": 0.0712000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0152234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.645000Z",
"spacegroup": 5
},
{
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{
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{
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},
{
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{
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