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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=3",
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"results": [
{
"id": "mp-1223707",
"created_at": "2022-09-04T14:47:43.412549Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn2 Fe2 Si16 O48\n1.0\n6.380494 8.316912 0.000000\n-6.380494 8.316912 0.000000\n0.000000 4.386832 9.146573\nK Na Li Ti Mn Fe Si O\n2 4 2 4 2 2 16 48\ndirect\n0.418311 0.580565 0.750271 K\n0.580565 0.418311 0.250271 K\n0.936818 0.537592 0.802394 Na\n0.463808 0.065056 0.691165 Na\n0.065056 0.463808 0.191165 Na\n0.537592 0.936818 0.302394 Na\n0.935919 0.068154 0.745499 Li\n0.068154 0.935919 0.245499 Li\n0.141967 0.035898 0.881539 Ti\n0.035898 0.141967 0.381539 Ti\n0.664281 0.019464 0.896252 Ti\n0.019464 0.664281 0.396252 Ti\n0.966515 0.853274 0.615767 Mn\n0.853274 0.966515 0.115767 Mn\n0.977649 0.343554 0.598932 Fe\n0.343554 0.977649 0.098932 Fe\n0.260584 0.449631 0.558529 Si\n0.552848 0.738724 0.940374 Si\n0.738724 0.552848 0.440374 Si\n0.449631 0.260584 0.058529 Si\n0.252568 0.959679 0.579542 Si\n0.045139 0.744152 0.918824 Si\n0.744152 0.045139 0.418824 Si\n0.959679 0.252568 0.079542 Si\n0.705325 0.752502 0.609542 Si\n0.244219 0.295774 0.888741 Si\n0.295774 0.244219 0.388741 Si\n0.752502 0.705325 0.109542 Si\n0.708554 0.247590 0.583674 Si\n0.749480 0.295538 0.916116 Si\n0.295538 0.749480 0.416116 Si\n0.247590 0.708554 0.083674 Si\n0.812424 0.392950 0.757812 O\n0.610594 0.181675 0.747288 O\n0.181675 0.610594 0.247288 O\n0.392950 0.812424 0.257812 O\n0.094885 0.007252 0.566724 O\n0.011569 0.906402 0.921686 O\n0.906402 0.011569 0.421686 O\n0.007252 0.094885 0.066724 O\n0.873149 0.212184 0.564325 O\n0.776374 0.129916 0.928150 O\n0.129916 0.776374 0.428150 O\n0.212184 0.873149 0.064325 O\n0.290550 0.388862 0.719895 O\n0.610634 0.709530 0.779213 O\n0.709530 0.610634 0.279213 O\n0.388862 0.290550 0.219895 O\n0.061393 0.715487 0.769304 O\n0.274253 0.944309 0.736734 O\n0.944309 0.274253 0.236734 O\n0.715487 0.061393 0.269304 O\n0.100016 0.489123 0.566026 O\n0.523306 0.903168 0.924191 O\n0.903168 0.523306 0.424191 O\n0.489123 0.100016 0.066026 O\n0.322952 0.816400 0.531326 O\n0.184153 0.667258 0.976360 O\n0.667258 0.184153 0.476360 O\n0.816400 0.322952 0.031326 O\n0.661286 0.417010 0.525215 O\n0.580633 0.344972 0.977528 O\n0.344972 0.580633 0.477528 O\n0.417010 0.661286 0.025215 O\n0.659770 0.919763 0.547167 O\n0.079033 0.347754 0.958134 O\n0.347754 0.079033 0.458134 O\n0.919763 0.659770 0.047167 O\n0.655050 0.672091 0.525954 O\n0.328163 0.338662 0.973996 O\n0.338662 0.328163 0.473996 O\n0.672091 0.655050 0.025954 O\n0.869109 0.708928 0.589999 O\n0.278708 0.131706 0.901502 O\n0.131706 0.278708 0.401502 O\n0.708928 0.869109 0.089999 O\n0.073756 0.172381 0.756981 O\n0.798140 0.941186 0.777330 O\n0.941186 0.798140 0.277330 O\n0.172381 0.073756 0.256981 O\n",
"nsites": 80,
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"elements": [
"K",
"Na",
"Li",
"Ti",
"Mn",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-K-Li-Mn-Na-O-Si-Ti",
"density": 3.1037015155838357,
"density_atomic": 0.08241099838587654,
"volume": 970.7442157830994,
"volume_molar": 7.3074478867520485,
"formula_full": "K2 Na4 Li2 Ti4 Mn2 Fe2 Si16 O48",
"formula_reduced": "KNa2LiTi2MnFe(SiO3)8",
"formula_anonymous": "ABCDE2F2G8H24",
"energy": -644.6206112599999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.085000Z",
"spacegroup": 9
},
{
"id": "mp-1201468",
"created_at": "2022-09-04T14:44:03.825016Z",
"structure_string": "K2 P2 H24 Pt2 C4 N4 Cl4 O8\n1.0\n7.740287 0.012417 2.913033\n0.400546 8.839945 0.736709\n-0.042525 -0.118585 8.954006\nK P H Pt C N Cl O\n2 2 24 2 4 4 4 8\ndirect\n0.423466 0.217712 0.580196 K\n0.576534 0.782288 0.419804 K\n0.182095 0.782327 0.268022 P\n0.817905 0.217673 0.731978 P\n0.206040 0.544824 0.406755 H\n0.793960 0.455176 0.593245 H\n0.381391 0.562867 0.222807 H\n0.618609 0.437133 0.777193 H\n0.402498 0.803996 0.006237 H\n0.597502 0.196004 0.993763 H\n0.239541 0.953797 0.038642 H\n0.760459 0.046203 0.961358 H\n0.023347 0.501336 0.248966 H\n0.976653 0.498664 0.751034 H\n0.185245 0.372876 0.225379 H\n0.814755 0.627124 0.774621 H\n0.138649 0.025794 0.680400 H\n0.861351 0.974206 0.319600 H\n0.043067 0.766013 0.017421 H\n0.956933 0.233987 0.982579 H\n0.206957 0.794852 0.850471 H\n0.793043 0.205148 0.149529 H\n0.143208 0.195936 0.472324 H\n0.856792 0.804064 0.527676 H\n0.258398 0.091404 0.338466 H\n0.741602 0.908596 0.661534 H\n0.227834 0.901259 0.560717 H\n0.772166 0.098741 0.439283 H\n0.221584 0.516243 0.955868 Pt\n0.778416 0.483757 0.044132 Pt\n0.240577 0.580114 0.279508 C\n0.759423 0.419886 0.720492 C\n0.262569 0.830742 0.053808 C\n0.737431 0.169258 0.946192 C\n0.155957 0.485478 0.200618 N\n0.844043 0.514522 0.799382 N\n0.175382 0.748723 0.966242 N\n0.824618 0.251277 0.033758 N\n0.267343 0.254124 0.947707 Cl\n0.732657 0.745876 0.052293 Cl\n0.294172 0.549221 0.679472 Cl\n0.705828 0.450779 0.320528 Cl\n0.280105 0.866158 0.348982 O\n0.719895 0.133842 0.651018 O\n0.985096 0.803606 0.326552 O\n0.014904 0.196394 0.673448 O\n0.240317 0.197610 0.368521 O\n0.759683 0.802390 0.631479 O\n0.229717 0.942632 0.660042 O\n0.770283 0.057368 0.339958 O\n",
"nsites": 50,
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"elements": [
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"H",
"Pt",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-K-N-O-P-Pt",
"density": 2.509726635739156,
"density_atomic": 0.08139951030394321,
"volume": 614.2543095566739,
"volume_molar": 7.398251829173807,
"formula_full": "K2 P2 H24 Pt2 C4 N4 Cl4 O8",
"formula_reduced": "KPH12PtC2N2(ClO2)2",
"formula_anonymous": "ABCD2E2F2G4H12",
"energy": -271.31046355,
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"updated_at": "2021-11-28T01:36:26.666000Z",
"spacegroup": 2
},
{
"id": "mp-1201374",
"created_at": "2022-09-04T14:47:36.915738Z",
"structure_string": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4\n1.0\n8.338912 0.000000 0.000000\n0.000000 19.350501 0.000000\n-0.048109 0.000000 8.155751\nCs Ca Ag H C S N O\n4 2 4 8 12 12 12 4\ndirect\n0.752055 0.882738 0.977309 Cs\n0.247945 0.382738 0.522691 Cs\n0.247945 0.117262 0.022691 Cs\n0.752055 0.617262 0.477309 Cs\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.271323 0.782704 0.014888 Ag\n0.728677 0.282704 0.485112 Ag\n0.728677 0.217296 0.985112 Ag\n0.271323 0.717296 0.514888 Ag\n0.663297 0.954901 0.526767 H\n0.336703 0.454901 0.973233 H\n0.336703 0.045099 0.473233 H\n0.663297 0.545099 0.026767 H\n0.662564 0.023299 0.629027 H\n0.337436 0.523299 0.870973 H\n0.337436 0.976701 0.370973 H\n0.662564 0.476701 0.129027 H\n0.185251 0.939419 0.870258 C\n0.814749 0.439419 0.629742 C\n0.814749 0.060581 0.129742 C\n0.185251 0.560581 0.370258 C\n0.016621 0.673243 0.862497 C\n0.983379 0.173243 0.637503 C\n0.983379 0.326757 0.137503 C\n0.016621 0.826757 0.362497 C\n0.524131 0.653114 0.960897 C\n0.475869 0.153114 0.539103 C\n0.475869 0.346886 0.039103 C\n0.524131 0.846886 0.460897 C\n0.297969 0.914589 0.025199 S\n0.702031 0.414589 0.474801 S\n0.702031 0.085411 0.974801 S\n0.297969 0.585411 0.525199 S\n0.063453 0.750752 0.796719 S\n0.936547 0.250752 0.703281 S\n0.936547 0.249248 0.203281 S\n0.063453 0.749248 0.296719 S\n0.523656 0.718812 0.089662 S\n0.476344 0.218812 0.410338 S\n0.476344 0.281188 0.910338 S\n0.523656 0.781188 0.589662 S\n0.102515 0.960090 0.762099 N\n0.897485 0.460090 0.737901 N\n0.897485 0.039910 0.237901 N\n0.102515 0.539910 0.262099 N\n0.980192 0.616966 0.904788 N\n0.019808 0.116966 0.595212 N\n0.019808 0.383034 0.095212 N\n0.980192 0.883034 0.404788 N\n0.529757 0.603806 0.874365 N\n0.470243 0.103806 0.625635 N\n0.470243 0.396194 0.125635 N\n0.529757 0.896194 0.374365 N\n0.729572 0.983602 0.600333 O\n0.270428 0.483602 0.899667 O\n0.270428 0.016398 0.399667 O\n0.729572 0.516398 0.100333 O\n",
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"elements": [
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"Ag",
"H",
"C",
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],
"chemical_system": "Ag-C-Ca-Cs-H-N-O-S",
"density": 2.2867240101699666,
"density_atomic": 0.04407196667914833,
"volume": 1316.0293122893788,
"volume_molar": 13.664334073952823,
"formula_full": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4",
"formula_reduced": "Cs2CaAg2H4C6S6(N3O)2",
"formula_anonymous": "AB2C2D2E4F6G6H6",
"energy": -363.03075768,
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"updated_at": "2021-11-28T01:38:17.969000Z",
"spacegroup": 14
},
{
"id": "mp-1224604",
"created_at": "2022-09-04T14:40:06.428812Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48\n1.0\n10.117259 0.000000 0.000000\n3.542755 9.900338 0.000000\n3.520129 1.624428 9.775165\nK Na Li Ti Mn Fe Si O\n2 4 2 4 3 1 16 48\ndirect\n0.249821 0.431555 0.568097 K\n0.750285 0.567796 0.432047 K\n0.698032 0.051422 0.472524 Na\n0.802032 0.527435 0.948470 Na\n0.301974 0.948712 0.527181 Na\n0.198208 0.472459 0.051693 Na\n0.248818 0.926970 0.075446 Li\n0.750125 0.073116 0.926412 Li\n0.379646 0.143736 0.035408 Ti\n0.119678 0.965718 0.855815 Ti\n0.619780 0.855911 0.965267 Ti\n0.880967 0.033961 0.144286 Ti\n0.402003 0.655075 0.026661 Mn\n0.903764 0.026891 0.652691 Mn\n0.598003 0.345370 0.972950 Mn\n0.097011 0.971135 0.345814 Fe\n0.107478 0.706955 0.756307 Si\n0.392415 0.244056 0.293177 Si\n0.892677 0.292578 0.244254 Si\n0.607835 0.756059 0.706750 Si\n0.935594 0.742631 0.549891 Si\n0.564047 0.450194 0.257859 Si\n0.065391 0.255786 0.448834 Si\n0.435513 0.550323 0.742392 Si\n0.081173 0.251660 0.955870 Si\n0.418566 0.044328 0.748365 Si\n0.918672 0.748481 0.044359 Si\n0.581452 0.955825 0.251863 Si\n0.418034 0.750661 0.296333 Si\n0.080988 0.703854 0.251190 Si\n0.581301 0.250514 0.703166 Si\n0.919091 0.296204 0.749008 Si\n0.019884 0.667884 0.671866 O\n0.479501 0.328733 0.332672 O\n0.980046 0.332799 0.327785 O\n0.520122 0.671870 0.667494 O\n0.905185 0.129013 0.274049 O\n0.598215 0.726730 0.869175 O\n0.097865 0.869246 0.727014 O\n0.401948 0.273176 0.130902 O\n0.261004 0.812277 0.395981 O\n0.237065 0.602379 0.193131 O\n0.736765 0.192636 0.601154 O\n0.763457 0.398539 0.806502 O\n0.063061 0.869168 0.213174 O\n0.435900 0.788202 0.131435 O\n0.936150 0.130918 0.787857 O\n0.564159 0.212228 0.868376 O\n0.256365 0.072652 0.168343 O\n0.242949 0.832159 0.927534 O\n0.743324 0.926616 0.832249 O\n0.756953 0.168226 0.073813 O\n0.240988 0.268476 0.939995 O\n0.258614 0.060302 0.731578 O\n0.758733 0.731563 0.060693 O\n0.741558 0.939440 0.268375 O\n0.069304 0.092269 0.997229 O\n0.430605 0.002657 0.907743 O\n0.930390 0.907915 0.002993 O\n0.569477 0.997174 0.092501 O\n0.773606 0.712713 0.609762 O\n0.726234 0.389165 0.288280 O\n0.226720 0.287224 0.390085 O\n0.273575 0.610223 0.711829 O\n0.920157 0.903743 0.511988 O\n0.580792 0.486703 0.096634 O\n0.081182 0.094940 0.484123 O\n0.419069 0.513784 0.903558 O\n0.035925 0.658930 0.921726 O\n0.464673 0.078534 0.341282 O\n0.963514 0.340771 0.078726 O\n0.535854 0.921641 0.658866 O\n0.965300 0.672030 0.185669 O\n0.533969 0.814792 0.329265 O\n0.034820 0.328459 0.814377 O\n0.464955 0.185605 0.671407 O\n0.017855 0.658660 0.420528 O\n0.480994 0.581023 0.341017 O\n0.983439 0.338243 0.579644 O\n0.517407 0.420198 0.659235 O\n",
"nsites": 80,
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"elements": [
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],
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"density": 3.075605519502979,
"density_atomic": 0.08170582140782158,
"volume": 979.1224006021891,
"volume_molar": 7.370516147119365,
"formula_full": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48",
"formula_reduced": "K2Na4Li2Ti4Mn3Fe(SiO3)16",
"formula_anonymous": "AB2C2D3E4F4G16H48",
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"updated_at": "2021-11-28T01:34:46.680000Z",
"spacegroup": 1
},
{
"id": "mp-1221055",
"created_at": "2022-09-04T14:39:09.595008Z",
"structure_string": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31\n1.0\n8.056804 5.246609 0.000000\n-8.056804 5.246609 0.000000\n0.000000 3.333558 6.415584\nNa Mg Al V Si B H O\n1 2 6 1 6 3 3 31\ndirect\n0.995467 0.995467 0.779790 Na\n0.998597 0.815952 0.426230 Mg\n0.815952 0.998597 0.426230 Mg\n0.560115 0.332173 0.093321 Al\n0.775415 0.443288 0.651999 Al\n0.668595 0.224824 0.427305 Al\n0.443288 0.775415 0.651999 Al\n0.332173 0.560115 0.093321 Al\n0.224824 0.668595 0.427305 Al\n0.178458 0.178458 0.243546 V\n0.382387 0.192897 0.807959 Si\n0.810803 0.617161 0.193042 Si\n0.806451 0.188795 0.004358 Si\n0.617161 0.810803 0.193042 Si\n0.192897 0.382387 0.807959 Si\n0.188795 0.806451 0.004358 Si\n0.333094 0.000951 0.440278 B\n0.668702 0.668702 0.772614 B\n0.000951 0.333094 0.440278 B\n0.383655 0.383655 0.367965 H\n0.999780 0.615290 0.753314 H\n0.615290 0.999780 0.753314 H\n0.571279 0.283802 0.635557 O\n0.713291 0.428859 0.206595 O\n0.715033 0.286004 0.920064 O\n0.428859 0.713291 0.206595 O\n0.283802 0.571279 0.635557 O\n0.286004 0.715033 0.920064 O\n0.484077 0.149239 0.350410 O\n0.665012 0.516140 0.835384 O\n0.851606 0.333608 0.501855 O\n0.516140 0.665012 0.835384 O\n0.149239 0.484077 0.350410 O\n0.333608 0.851606 0.501855 O\n0.187945 0.001580 0.462109 O\n0.812716 0.812716 0.649989 O\n0.001580 0.187945 0.462109 O\n0.281724 0.281724 0.721679 O\n0.000074 0.719604 0.004651 O\n0.719604 0.000074 0.004651 O\n0.280128 0.999736 0.836195 O\n0.719963 0.719963 0.117612 O\n0.999736 0.280128 0.836195 O\n0.009611 0.009611 0.215160 O\n0.386509 0.204983 0.026902 O\n0.818447 0.612470 0.414475 O\n0.794923 0.181934 0.233044 O\n0.612470 0.818447 0.414475 O\n0.204983 0.386509 0.026902 O\n0.181934 0.794923 0.233044 O\n0.395352 0.395352 0.225635 O\n0.000021 0.601550 0.623909 O\n0.601550 0.000021 0.623909 O\n",
"nsites": 53,
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"elements": [
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],
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"formula_full": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31",
"formula_reduced": "NaMg2Al6VSi6B3H3O31",
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}