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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11457",
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"results": [
{
"id": "mp-1176246",
"created_at": "2022-09-04T14:47:09.310132Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.064212 0.000000 0.000000\n-1.641809 4.850497 0.000000\n-0.436031 -0.408705 11.717528\nLi Mn Co O\n9 2 5 16\ndirect\n0.995696 0.497683 0.129057 Li\n0.489884 0.492466 0.258915 Li\n0.007272 0.513604 0.384574 Li\n0.489854 0.493561 0.506691 Li\n0.007078 0.501403 0.615343 Li\n0.511468 0.507555 0.742359 Li\n0.996288 0.496062 0.869036 Li\n0.500669 0.500192 0.996531 Li\n0.008756 0.001417 0.498736 Li\n0.994320 0.997335 0.999628 Mn\n0.999570 0.999231 0.254123 Mn\n0.494240 0.995161 0.126243 Co\n0.513698 0.009717 0.386718 Co\n0.503474 0.003986 0.623713 Co\n0.001537 0.999579 0.740568 Co\n0.495581 0.995412 0.867476 Co\n0.247902 0.778409 0.008617 O\n0.763075 0.780494 0.118431 O\n0.241876 0.777559 0.254129 O\n0.764074 0.776609 0.358916 O\n0.282029 0.770022 0.505829 O\n0.749842 0.777044 0.631395 O\n0.255137 0.753463 0.760205 O\n0.762791 0.766676 0.881145 O\n0.742693 0.217682 0.239423 O\n0.235574 0.234790 0.364612 O\n0.740539 0.255849 0.491440 O\n0.262699 0.223459 0.632496 O\n0.737265 0.228000 0.748109 O\n0.224035 0.216376 0.884382 O\n0.750551 0.220703 0.994444 O\n0.230531 0.218500 0.126711 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.171134138840619,
"density_atomic": 0.11117723274486692,
"volume": 287.8287146563058,
"volume_molar": 5.416703232594215,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.1687275,
"energy_per_atom": -6.505272734375,
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"band_gap": 0.4469999999999996,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.571000Z",
"spacegroup": 1
},
{
"id": "mp-1235071",
"created_at": "2022-09-04T14:47:09.279404Z",
"structure_string": "Li1 Cu1 P4 Ru2 O14\n1.0\n4.906548 -0.005662 0.164899\n-2.098450 -6.479895 0.234291\n0.019426 0.079705 -8.404918\nLi Cu P Ru O\n1 1 4 2 14\ndirect\n0.428991 0.532874 0.061611 Li\n0.009200 0.999568 0.507717 Cu\n0.385170 0.759036 0.802705 P\n0.604359 0.238784 0.198782 P\n0.032057 0.657964 0.272184 P\n0.963014 0.344389 0.729683 P\n0.498726 0.498892 0.500293 Ru\n0.995799 0.000440 0.998722 Ru\n0.141168 0.831870 0.162418 O\n0.850022 0.165499 0.834320 O\n0.478616 0.757868 0.631170 O\n0.514754 0.237222 0.371574 O\n0.197187 0.521251 0.840862 O\n0.788793 0.481168 0.166708 O\n0.195398 0.898733 0.819811 O\n0.794569 0.101618 0.177356 O\n0.271413 0.563867 0.309301 O\n0.733443 0.439215 0.681264 O\n0.616466 0.778622 0.937370 O\n0.367968 0.225942 0.068790 O\n0.131237 0.287020 0.586720 O\n0.876650 0.715195 0.418762 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Cu",
"P",
"Ru",
"O"
],
"chemical_system": "Cu-Li-O-P-Ru",
"density": 3.8558548695710755,
"density_atomic": 0.08232712026016312,
"volume": 267.22664330390137,
"volume_molar": 7.314893003629116,
"formula_full": "Li1 Cu1 P4 Ru2 O14",
"formula_reduced": "LiCuP4(RuO7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -162.19653173,
"energy_per_atom": -7.372569624090909,
"energy_above_hull": null,
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"energy_uncorrected": -152.57853173,
"band_gap": 0.0079000000000002,
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"updated_at": "2021-11-28T01:37:55.543000Z",
"spacegroup": 1
},
{
"id": "mp-850959",
"created_at": "2022-09-04T14:47:09.297297Z",
"structure_string": "Li5 Mn6 B6 O18\n1.0\n5.223877 0.000000 0.000000\n-2.298658 5.475897 0.000000\n-0.367005 -1.981297 13.307166\nLi Mn B O\n5 6 6 18\ndirect\n0.475290 0.778670 0.458032 Li\n0.141449 0.114451 0.791486 Li\n0.850781 0.860316 0.207071 Li\n0.526245 0.218846 0.540060 Li\n0.190614 0.555051 0.873886 Li\n0.338312 0.485121 0.248444 Mn\n0.012812 0.824749 0.585769 Mn\n0.677658 0.166098 0.923258 Mn\n0.308085 0.827551 0.078896 Mn\n0.990576 0.176197 0.415226 Mn\n0.655822 0.507562 0.749632 Mn\n0.244137 0.286485 0.022707 B\n0.905552 0.621773 0.361545 B\n0.576620 0.955121 0.694446 B\n0.421297 0.043895 0.304588 B\n0.093478 0.380486 0.641478 B\n0.761941 0.717396 0.975868 B\n0.422146 0.168666 0.044712 O\n0.130693 0.551351 0.378315 O\n0.758780 0.559100 0.270216 O\n0.441054 0.896533 0.599400 O\n0.235244 0.473018 0.095531 O\n0.844878 0.767785 0.440056 O\n0.504045 0.091998 0.772449 O\n0.799200 0.885027 0.713123 O\n0.914019 0.800311 0.067132 O\n0.104015 0.233319 0.929571 O\n0.198895 0.114842 0.286429 O\n0.484361 0.899576 0.226462 O\n0.170196 0.246421 0.564713 O\n0.821882 0.566505 0.900631 O\n0.558861 0.100848 0.399298 O\n0.228981 0.441480 0.737033 O\n0.867540 0.446001 0.623201 O\n0.535277 0.783966 0.957339 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.128589682126859,
"density_atomic": 0.09194629981149728,
"volume": 380.6569712077036,
"volume_molar": 6.549628176823023,
"formula_full": "Li5 Mn6 B6 O18",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -280.62408077000003,
"energy_per_atom": -8.017830879142858,
"energy_above_hull": null,
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"energy_uncorrected": -258.25008077,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.602000Z",
"spacegroup": 1
},
{
"id": "mp-1235338",
"created_at": "2022-09-04T14:47:09.382958Z",
"structure_string": "Li1 Mn2 S2 O10\n1.0\n3.110272 4.094114 -1.756095\n-3.039350 4.032250 1.734279\n-0.572062 -0.024057 7.527955\nLi Mn S O\n1 2 2 10\ndirect\n0.633623 0.519090 0.772092 Li\n0.004434 0.497254 0.498296 Mn\n0.499615 0.997441 0.005708 Mn\n0.918488 0.910309 0.757191 S\n0.092009 0.089341 0.247207 S\n0.336643 0.329702 0.749991 O\n0.669371 0.664871 0.255532 O\n0.229432 0.807142 0.873920 O\n0.819056 0.228696 0.648950 O\n0.780869 0.196434 0.103145 O\n0.188228 0.773354 0.374165 O\n0.826765 0.790663 0.602925 O\n0.789456 0.808751 0.901594 O\n0.156283 0.217661 0.394122 O\n0.230729 0.169292 0.109805 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"S",
"O"
],
"chemical_system": "Li-Mn-O-S",
"density": 3.1457186537304445,
"density_atomic": 0.08334560318324669,
"volume": 179.97350102584838,
"volume_molar": 7.225505041651089,
"formula_full": "Li1 Mn2 S2 O10",
"formula_reduced": "LiMn2(SO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -106.43652603,
"energy_per_atom": -7.095768402,
"energy_above_hull": null,
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"energy_uncorrected": -96.23052603,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.0000132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.868000Z",
"spacegroup": 1
},
{
"id": "mp-1356724",
"created_at": "2022-09-04T14:47:09.389012Z",
"structure_string": "Zr16 N16 O8\n1.0\n8.851255 0.000000 0.000000\n-2.936007 8.371391 0.000000\n-2.943344 -4.191094 7.269000\nZr N O\n16 16 8\ndirect\n0.512480 0.500285 0.499870 Zr\n0.213253 0.455357 0.251589 Zr\n0.967664 0.254892 0.783572 Zr\n0.471441 0.247885 0.280895 Zr\n0.288668 0.031523 0.757554 Zr\n0.003834 0.499994 0.989771 Zr\n0.241300 0.785502 0.464953 Zr\n0.491679 0.000395 0.002890 Zr\n0.992646 0.002496 0.497755 Zr\n0.757632 0.711087 0.029524 Zr\n0.743413 0.204808 0.538599 Zr\n0.251199 0.289458 0.971311 Zr\n0.718248 0.969646 0.247564 Zr\n0.029563 0.756001 0.210206 Zr\n0.535387 0.746967 0.718862 Zr\n0.785475 0.545100 0.748276 Zr\n0.768412 0.737909 0.271648 N\n0.546151 0.275965 0.486370 N\n0.242244 0.228013 0.229731 N\n0.506851 0.038515 0.230678 N\n0.008855 0.239654 0.535859 N\n0.035362 0.773740 0.950706 N\n0.966467 0.225627 0.042483 N\n0.726006 0.455635 0.036040 N\n0.049001 0.532934 0.724576 N\n0.993976 0.764575 0.462947 N\n0.761359 0.775044 0.772575 N\n0.770116 0.011565 0.453991 N\n0.261743 0.032874 0.011914 N\n0.490995 0.957793 0.774723 N\n0.271966 0.546146 0.969848 N\n0.536095 0.487804 0.733395 N\n0.276172 0.726348 0.235735 O\n0.227354 0.262895 0.725050 O\n0.460341 0.514864 0.264736 O\n0.227151 0.983993 0.549025 O\n0.723773 0.266603 0.772506 O\n0.957913 0.470112 0.274186 O\n0.737091 0.966867 0.985654 O\n0.450726 0.723124 0.512432 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.585408906209701,
"density_atomic": 0.0742647704304153,
"volume": 538.6133932438296,
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"formula_full": "Zr16 N16 O8",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy": -276.08520577,
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"updated_at": "2021-11-28T01:37:56.084000Z",
"spacegroup": 1
},
{
"id": "mp-759102",
"created_at": "2022-09-04T14:47:09.364016Z",
"structure_string": "Li12 V8 O16 F8\n1.0\n5.952735 0.000000 0.000000\n2.921525 5.214138 0.000000\n1.366163 2.368386 14.921298\nLi V O F\n12 8 16 8\ndirect\n0.140967 0.795210 0.835720 Li\n0.710677 0.215988 0.836344 Li\n0.329844 0.466471 0.712632 Li\n0.165998 0.500930 0.336260 Li\n0.475513 0.022870 0.956326 Li\n0.673078 0.760833 0.824224 Li\n0.665083 0.010987 0.333468 Li\n0.000781 0.497112 0.954534 Li\n0.330337 0.998760 0.700508 Li\n0.150832 0.013478 0.333397 Li\n0.502811 0.514747 0.973902 Li\n0.855757 0.466834 0.704533 Li\n0.502715 0.254323 0.503047 V\n0.999053 0.753227 0.507496 V\n0.331093 0.252117 0.164909 V\n0.501650 0.751414 0.491346 V\n0.833208 0.747701 0.167984 V\n0.001179 0.251740 0.497855 V\n0.335905 0.749694 0.169939 V\n0.830360 0.249913 0.166689 V\n0.317890 0.616648 0.427670 O\n0.179027 0.592916 0.103505 O\n0.170508 0.384592 0.570155 O\n0.503986 0.372526 0.240596 O\n0.833641 0.103776 0.428531 O\n0.656938 0.892126 0.563622 O\n0.671978 0.124714 0.100712 O\n0.998042 0.883439 0.243696 O\n0.335184 0.131698 0.422542 O\n0.160920 0.119573 0.100781 O\n0.168954 0.878106 0.563964 O\n0.488917 0.910054 0.239613 O\n0.849051 0.624324 0.428440 O\n0.657761 0.381875 0.563495 O\n0.668273 0.607863 0.102186 O\n0.004588 0.367897 0.240045 O\n0.340543 0.374173 0.924014 F\n0.508370 0.120268 0.754253 F\n0.822264 0.863968 0.910810 F\n0.998673 0.631617 0.751100 F\n0.351511 0.845463 0.912027 F\n0.504877 0.630978 0.744744 F\n0.801567 0.397000 0.908788 F\n0.003028 0.120057 0.750266 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.222606451227654,
"density_atomic": 0.09500511805523827,
"volume": 463.1329437895897,
"volume_molar": 6.338754041122902,
"formula_full": "Li12 V8 O16 F8",
"formula_reduced": "Li3V2(O2F)2",
"formula_anonymous": "A2B2C3D4",
"energy": -307.14875046000003,
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"updated_at": "2021-11-28T01:37:57.871000Z",
"spacegroup": 1
},
{
"id": "mp-850888",
"created_at": "2022-09-04T14:47:09.378796Z",
"structure_string": "Li3 V6 P12 H6 O48\n1.0\n7.741418 0.000000 0.000000\n0.015577 7.895093 0.000000\n2.051032 0.008068 13.462817\nLi V P H O\n3 6 12 6 48\ndirect\n0.709281 0.130109 0.147790 Li\n0.128192 0.633832 0.517983 Li\n0.789643 0.630792 0.852635 Li\n0.832833 0.507232 0.167670 V\n0.324759 0.993903 0.166989 V\n0.509484 0.492294 0.496709 V\n0.000367 0.005828 0.501485 V\n0.668209 0.007896 0.829903 V\n0.174198 0.496809 0.834927 V\n0.720398 0.849366 0.045242 P\n0.223816 0.644229 0.047508 P\n0.948170 0.158017 0.289086 P\n0.886817 0.658127 0.378762 P\n0.443046 0.353299 0.283857 P\n0.389469 0.853372 0.381581 P\n0.610436 0.146027 0.619014 P\n0.551813 0.654706 0.710111 P\n0.113412 0.350332 0.621737 P\n0.058396 0.851936 0.715754 P\n0.778978 0.348968 0.954057 P\n0.278525 0.145100 0.953185 P\n0.495716 0.508334 0.003959 H\n0.667684 0.996815 0.334528 H\n0.168536 0.494167 0.331778 H\n0.827588 0.503530 0.668170 H\n0.335223 0.000238 0.665549 H\n0.006807 0.008820 0.995942 H\n0.875052 0.958959 0.062572 O\n0.796080 0.328842 0.065799 O\n0.727100 0.672811 0.091187 O\n0.554590 0.947283 0.099283 O\n0.386802 0.545970 0.063312 O\n0.942686 0.331430 0.239751 O\n0.297019 0.160804 0.064978 O\n0.865040 0.674068 0.268880 O\n0.233033 0.826122 0.094017 O\n0.785814 0.058797 0.271746 O\n0.057749 0.558767 0.100127 O\n0.607213 0.447852 0.233475 O\n0.446756 0.174970 0.234630 O\n0.973868 0.173721 0.398184 O\n0.365622 0.839821 0.268990 O\n0.275264 0.446913 0.273315 O\n0.889915 0.830912 0.428023 O\n0.114752 0.058557 0.234672 O\n0.717538 0.558715 0.430119 O\n0.556320 0.947044 0.392376 O\n0.464867 0.337967 0.396704 O\n0.386400 0.673733 0.429460 O\n0.955268 0.459597 0.607630 O\n0.224652 0.945523 0.434821 O\n0.777860 0.059177 0.565631 O\n0.047070 0.556790 0.397070 O\n0.602159 0.326979 0.568111 O\n0.532922 0.660269 0.598567 O\n0.447211 0.051121 0.603338 O\n0.275156 0.447900 0.565792 O\n0.889259 0.943967 0.765528 O\n0.104268 0.171943 0.581525 O\n0.714535 0.552827 0.727782 O\n0.634751 0.174856 0.727722 O\n0.038732 0.825673 0.604552 O\n0.560065 0.829600 0.754886 O\n0.386489 0.558528 0.764628 O\n0.945682 0.447942 0.902241 O\n0.222634 0.946485 0.729310 O\n0.773481 0.173580 0.907877 O\n0.136686 0.341408 0.734119 O\n0.700397 0.828827 0.934132 O\n0.052595 0.674303 0.769545 O\n0.624878 0.460200 0.936699 O\n0.443745 0.059993 0.898173 O\n0.267631 0.327829 0.908248 O\n0.207192 0.662604 0.935679 O\n0.115392 0.046993 0.937744 O\n",
"nsites": 75,
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"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.9709484455204413,
"density_atomic": 0.09114808587896138,
"volume": 822.8368075616534,
"volume_molar": 6.606985436860413,
"formula_full": "Li3 V6 P12 H6 O48",
"formula_reduced": "LiV2P4(HO8)2",
"formula_anonymous": "AB2C2D4E16",
"energy": -563.14413157,
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"updated_at": "2021-11-28T01:37:52.681000Z",
"spacegroup": 1
},
{
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{
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{
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{
"id": "mp-1223630",
"created_at": "2022-09-04T14:47:09.735767Z",
"structure_string": "K1 Ba1 Na2 Ti3 Fe1 Si4 O18\n1.0\n-5.389693 0.000000 0.000000\n-0.001191 -7.134547 0.000000\n1.170731 3.549400 10.246633\nK Ba Na Ti Fe Si O\n1 1 2 3 1 4 18\ndirect\n0.738204 0.719069 0.436334 K\n0.259689 0.279229 0.556774 Ba\n0.001155 0.002023 0.001407 Na\n0.500543 0.743992 0.000618 Na\n0.298407 0.865422 0.715921 Ti\n0.700658 0.149804 0.282966 Ti\n0.001765 0.503493 0.001376 Ti\n0.499594 0.277580 0.999581 Fe\n0.804208 0.580534 0.726715 Si\n0.790450 0.142216 0.723789 Si\n0.210689 0.422556 0.277626 Si\n0.195786 0.852555 0.275098 Si\n0.847763 0.646820 0.885808 O\n0.798626 0.221727 0.882899 O\n0.202697 0.343089 0.117617 O\n0.152895 0.760639 0.115061 O\n0.725741 0.501895 0.090664 O\n0.273196 0.408071 0.905288 O\n0.783907 0.331518 0.663599 O\n0.215786 0.668091 0.336563 O\n0.040842 0.644908 0.665952 O\n0.031474 0.021594 0.666109 O\n0.972773 0.351754 0.334707 O\n0.962696 0.984368 0.335478 O\n0.344635 0.977149 0.884289 O\n0.652578 0.095399 0.114279 O\n0.536502 0.647886 0.673499 O\n0.529165 0.016913 0.654508 O\n0.468055 0.359503 0.347433 O\n0.459521 0.980204 0.328041 O\n",
"nsites": 30,
"nelements": 7,
"elements": [
"K",
"Ba",
"Na",
"Ti",
"Fe",
"Si",
"O"
],
"chemical_system": "Ba-Fe-K-Na-O-Si-Ti",
"density": 3.4650177952660113,
"density_atomic": 0.0761394335836678,
"volume": 394.01396343504075,
"volume_molar": 7.909358497371028,
"formula_full": "K1 Ba1 Na2 Ti3 Fe1 Si4 O18",
"formula_reduced": "KBaNa2Ti3Fe(Si2O9)2",
"formula_anonymous": "ABCD2E3F4G18",
"energy": -241.19238085,
"energy_per_atom": -8.039746028333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.57038085,
"band_gap": 2.6507,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0014584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.294000Z",
"spacegroup": 1
}
]
}