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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=106",
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"results": [
{
"id": "mp-1233872",
"created_at": "2022-09-04T14:46:22.130827Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.689920 -0.060767 -0.042895\n4.323817 7.538108 -0.042893\n4.323817 2.484348 7.117083\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.124238 0.124238 0.124238 Mg\n0.245708 0.245708 0.245707 Fe\n0.363273 0.363273 0.363273 Fe\n0.643224 0.643225 0.643224 Fe\n0.993957 0.993961 0.993961 Ni\n0.500048 0.500046 0.500047 Ni\n0.846035 0.846035 0.846035 Sb\n0.044633 0.743726 0.440989 P\n0.440990 0.044633 0.743726 P\n0.743726 0.440990 0.044633 P\n0.250517 0.544610 0.940469 P\n0.544610 0.940469 0.250517 P\n0.940470 0.250517 0.544610 P\n0.107047 0.309317 0.494683 O\n0.309317 0.494682 0.107047 O\n0.048121 0.892694 0.246071 O\n0.494683 0.107047 0.309317 O\n0.014131 0.829264 0.578948 O\n0.244388 0.591930 0.430504 O\n0.246071 0.048121 0.892694 O\n0.430504 0.244388 0.591931 O\n0.190825 0.379777 0.993001 O\n0.591931 0.430503 0.244389 O\n0.087798 0.738769 0.932755 O\n0.379777 0.993000 0.190825 O\n0.578949 0.014131 0.829264 O\n0.892694 0.246072 0.048121 O\n0.405909 0.564979 0.747474 O\n0.829263 0.578949 0.014131 O\n0.564979 0.747474 0.405909 O\n0.738769 0.932755 0.087798 O\n0.747474 0.405909 0.564978 O\n0.993001 0.190825 0.379777 O\n0.514662 0.893266 0.660384 O\n0.932755 0.087798 0.738769 O\n0.660384 0.514663 0.893266 O\n0.893266 0.660385 0.514663 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.536294404295645,
"density_atomic": 0.0787312681326117,
"volume": 469.9530552166227,
"volume_molar": 7.64898229488258,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -277.37710729,
"energy_per_atom": -7.496678575405406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -249.03910729,
"band_gap": 0.1364,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.288000Z",
"spacegroup": 146
},
{
"id": "mp-720215",
"created_at": "2022-09-04T14:43:58.959269Z",
"structure_string": "K7 H12 Pt4 C16 N16 O6\n1.0\n9.813935 0.000000 0.000000\n-2.905228 9.873774 0.000000\n-3.626191 -3.462090 9.853709\nK H Pt C N O\n7 12 4 16 16 6\ndirect\n0.011279 0.654395 0.397156 K\n0.366959 0.766874 0.862896 K\n0.275425 0.069543 0.675090 K\n0.724585 0.930338 0.325374 K\n0.988521 0.499742 0.995711 K\n0.630999 0.230631 0.138821 K\n0.990210 0.345931 0.603190 K\n0.252405 0.903147 0.365518 H\n0.271935 0.339244 0.877124 H\n0.374955 0.875857 0.476800 H\n0.383485 0.424908 0.825795 H\n0.349766 0.717108 0.155152 H\n0.344270 0.580074 0.062770 H\n0.639460 0.412367 0.934382 H\n0.637895 0.277558 0.841565 H\n0.616847 0.575015 0.174089 H\n0.625627 0.123607 0.523197 H\n0.726706 0.661806 0.122053 H\n0.747256 0.096053 0.635035 H\n0.000455 0.000492 0.000139 Pt\n0.236432 0.244405 0.257964 Pt\n0.500108 0.500088 0.499771 Pt\n0.763931 0.756658 0.741559 Pt\n0.180154 0.000290 0.951054 C\n0.041341 0.783943 0.161773 C\n0.088570 0.346462 0.234743 C\n0.063665 0.130775 0.432052 C\n0.336327 0.536378 0.556875 C\n0.621012 0.865287 0.723579 C\n0.464003 0.729810 0.354160 C\n0.407240 0.410785 0.106614 C\n0.594382 0.589359 0.893218 C\n0.536247 0.270139 0.645041 C\n0.378730 0.135115 0.277060 C\n0.663986 0.463901 0.442733 C\n0.936172 0.869783 0.567231 C\n0.912464 0.655460 0.762713 C\n0.963783 0.220529 0.841897 C\n0.820473 0.000078 0.049179 C\n0.006016 0.603493 0.772763 N\n0.028764 0.863543 0.099925 N\n0.240203 0.563942 0.585253 N\n0.136452 0.162557 0.369056 N\n0.286683 0.006772 0.923392 N\n0.535421 0.925616 0.720759 N\n0.664188 0.659856 0.845659 N\n0.482267 0.644416 0.407287 N\n0.518040 0.355681 0.592298 N\n0.337261 0.340405 0.154144 N\n0.464052 0.074419 0.280410 N\n0.713805 0.992587 0.076913 N\n0.863099 0.838968 0.630228 N\n0.760318 0.436441 0.414649 N\n0.973341 0.138384 0.901175 N\n0.995340 0.398951 0.222934 N\n0.280737 0.897306 0.457139 O\n0.280768 0.347225 0.793326 O\n0.305691 0.658085 0.058533 O\n0.678138 0.334348 0.938479 O\n0.719776 0.652835 0.206320 O\n0.721178 0.104234 0.544383 O\n",
"nsites": 61,
"nelements": 6,
"elements": [
"K",
"H",
"Pt",
"C",
"N",
"O"
],
"chemical_system": "C-H-K-N-O-Pt",
"density": 2.744975522569331,
"density_atomic": 0.06388571250992332,
"volume": 954.8300802080732,
"volume_molar": 9.426428106385423,
"formula_full": "K7 H12 Pt4 C16 N16 O6",
"formula_reduced": "K7H12Pt4C16(N8O3)2",
"formula_anonymous": "A4B6C7D12E16F16",
"energy": -402.87659515,
"energy_per_atom": -6.604534346721311,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -398.75459515,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0087371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.677000Z",
"spacegroup": 1
},
{
"id": "mp-1200842",
"created_at": "2022-09-04T14:43:55.154573Z",
"structure_string": "Cd2 H16 C4 S4 N8 Cl4\n1.0\n13.217793 0.000000 0.000000\n0.000000 6.137029 0.000000\n0.000000 0.000000 7.239191\nCd H C S N Cl\n2 16 4 4 8 4\ndirect\n0.500000 0.279156 0.490633 Cd\n0.000000 0.720844 0.990633 Cd\n0.089878 0.386116 0.566903 H\n0.910122 0.386116 0.566903 H\n0.410122 0.613884 0.066903 H\n0.589878 0.613884 0.066903 H\n0.126289 0.111247 0.575059 H\n0.873711 0.111247 0.575059 H\n0.373711 0.888753 0.075059 H\n0.626289 0.888753 0.075059 H\n0.206658 0.652070 0.553211 H\n0.793342 0.652070 0.553211 H\n0.293342 0.347930 0.053211 H\n0.706658 0.347930 0.053211 H\n0.336728 0.600100 0.575947 H\n0.663272 0.600100 0.575947 H\n0.163272 0.399900 0.075947 H\n0.836728 0.399900 0.075947 H\n0.242866 0.330658 0.575501 C\n0.757134 0.330658 0.575501 C\n0.257134 0.669342 0.075501 C\n0.742866 0.669342 0.075501 C\n0.331947 0.128215 0.603695 S\n0.668053 0.128215 0.603695 S\n0.168053 0.871785 0.103695 S\n0.831947 0.871785 0.103695 S\n0.145444 0.270769 0.566649 N\n0.854556 0.270769 0.566649 N\n0.354556 0.729231 0.066649 N\n0.645444 0.729231 0.066649 N\n0.264091 0.542381 0.564827 N\n0.735909 0.542381 0.564827 N\n0.235909 0.457619 0.064827 N\n0.764091 0.457619 0.064827 N\n0.500000 0.257985 0.132886 Cl\n0.000000 0.742015 0.632886 Cl\n0.500000 0.682756 0.572316 Cl\n0.000000 0.317244 0.072316 Cl\n",
"nsites": 38,
"nelements": 6,
"elements": [
"Cd",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "C-Cd-Cl-H-N-S",
"density": 1.8977564021611983,
"density_atomic": 0.06471075093299676,
"volume": 587.2285432036821,
"volume_molar": 9.306244593321882,
"formula_full": "Cd2 H16 C4 S4 N8 Cl4",
"formula_reduced": "CdH8C2S2(N2Cl)2",
"formula_anonymous": "AB2C2D2E4F8",
"energy": -205.59767872,
"energy_per_atom": -5.410465229473684,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -198.24167872,
"band_gap": 3.8023,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0656002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.490000Z",
"spacegroup": 31
},
{
"id": "mp-1201326",
"created_at": "2022-09-04T14:44:02.026290Z",
"structure_string": "Si8 Te4 H88 Pt2 C32 Cl4\n1.0\n3.442701 12.629466 0.000000\n-3.442701 12.629466 0.000000\n0.000000 1.938567 20.873463\nSi Te H Pt C Cl\n8 4 88 2 32 4\ndirect\n0.392227 0.933073 0.358429 Si\n0.066927 0.607773 0.141571 Si\n0.607773 0.066927 0.641571 Si\n0.933073 0.392227 0.858429 Si\n0.395125 0.755873 0.612892 Si\n0.244127 0.604875 0.887108 Si\n0.604875 0.244127 0.387108 Si\n0.755873 0.395125 0.112892 Si\n0.698842 0.626746 0.494063 Te\n0.373254 0.301158 0.005937 Te\n0.301158 0.373254 0.505937 Te\n0.626746 0.698842 0.994063 Te\n0.321034 0.016473 0.474439 H\n0.983527 0.678966 0.025561 H\n0.678966 0.983527 0.525561 H\n0.016473 0.321034 0.974439 H\n0.491604 0.964422 0.439871 H\n0.035578 0.508396 0.060129 H\n0.508396 0.035578 0.560129 H\n0.964422 0.491604 0.939871 H\n0.680224 0.632517 0.620804 H\n0.367483 0.319776 0.879196 H\n0.319776 0.367483 0.379196 H\n0.632517 0.680224 0.120804 H\n0.460163 0.887976 0.592169 H\n0.112024 0.539837 0.907831 H\n0.539837 0.112024 0.407831 H\n0.887976 0.460163 0.092169 H\n0.580397 0.702592 0.268222 H\n0.297408 0.419603 0.231778 H\n0.419603 0.297408 0.731778 H\n0.702592 0.580397 0.768222 H\n0.667281 0.570466 0.342742 H\n0.429534 0.332719 0.157258 H\n0.332719 0.429534 0.657258 H\n0.570466 0.667281 0.842742 H\n0.742607 0.633106 0.314867 H\n0.366894 0.257393 0.185133 H\n0.257393 0.366894 0.685133 H\n0.633106 0.742607 0.814867 H\n0.433613 0.072849 0.304575 H\n0.927151 0.566387 0.195425 H\n0.566387 0.927151 0.695425 H\n0.072849 0.433613 0.804575 H\n0.181902 0.271358 0.334412 H\n0.728642 0.818098 0.165588 H\n0.818098 0.728642 0.665588 H\n0.271358 0.181902 0.834412 H\n0.262769 0.146269 0.263356 H\n0.853731 0.737231 0.236644 H\n0.737231 0.853731 0.736644 H\n0.146269 0.262769 0.763356 H\n0.134520 0.045686 0.314302 H\n0.954314 0.865480 0.185698 H\n0.865480 0.954314 0.685698 H\n0.045686 0.134520 0.814302 H\n0.051168 0.156270 0.389702 H\n0.843730 0.948832 0.110298 H\n0.948832 0.843730 0.610298 H\n0.156270 0.051168 0.889702 H\n0.230726 0.900756 0.385929 H\n0.099244 0.769274 0.114071 H\n0.769274 0.099244 0.614071 H\n0.900756 0.230726 0.885929 H\n0.656889 0.431122 0.674619 H\n0.568878 0.343111 0.825381 H\n0.343111 0.568878 0.325381 H\n0.431122 0.656889 0.174619 H\n0.668198 0.395450 0.592666 H\n0.604550 0.331802 0.907334 H\n0.331802 0.604550 0.407334 H\n0.395450 0.668198 0.092666 H\n0.476549 0.503388 0.644864 H\n0.496612 0.523451 0.855136 H\n0.523451 0.496612 0.355136 H\n0.503388 0.476549 0.144864 H\n0.129117 0.886935 0.563566 H\n0.113065 0.870883 0.936434 H\n0.870883 0.113065 0.436434 H\n0.886935 0.129117 0.063566 H\n0.302771 0.790792 0.504023 H\n0.209208 0.697229 0.995977 H\n0.697229 0.209208 0.495977 H\n0.790791 0.302771 0.004023 H\n0.116546 0.030592 0.537368 H\n0.969408 0.883454 0.962632 H\n0.883454 0.969408 0.462632 H\n0.030592 0.116546 0.037368 H\n0.145042 0.929312 0.700381 H\n0.070688 0.854958 0.799619 H\n0.854958 0.070688 0.299619 H\n0.929312 0.145042 0.200381 H\n0.140888 0.066731 0.675757 H\n0.933269 0.859112 0.824243 H\n0.859112 0.933269 0.324243 H\n0.066731 0.140888 0.175757 H\n0.333779 0.849049 0.726628 H\n0.150951 0.666221 0.773372 H\n0.666221 0.150951 0.273372 H\n0.849049 0.333779 0.226628 H\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.453672 0.915387 0.442232 C\n0.084613 0.546328 0.057768 C\n0.546328 0.084613 0.557768 C\n0.915387 0.453672 0.942232 C\n0.551856 0.740002 0.588599 C\n0.259998 0.448144 0.911401 C\n0.448144 0.259998 0.411401 C\n0.740002 0.551856 0.088599 C\n0.617386 0.685875 0.317410 C\n0.314125 0.382614 0.182590 C\n0.382614 0.314125 0.682590 C\n0.685875 0.617386 0.817410 C\n0.308919 0.125146 0.311232 C\n0.874854 0.691081 0.188768 C\n0.691081 0.874854 0.688768 C\n0.125146 0.308919 0.811232 C\n0.182721 0.016423 0.362965 C\n0.983577 0.817279 0.137035 C\n0.817279 0.983577 0.637035 C\n0.016423 0.182721 0.862965 C\n0.565709 0.496958 0.632971 C\n0.503042 0.434291 0.867029 C\n0.434291 0.503042 0.367029 C\n0.496958 0.565709 0.132971 C\n0.220354 0.876613 0.548279 C\n0.123387 0.779646 0.951721 C\n0.779646 0.123387 0.451721 C\n0.876613 0.220354 0.048279 C\n0.240247 0.915031 0.686069 C\n0.084969 0.759753 0.813931 C\n0.759753 0.084969 0.313931 C\n0.915031 0.240247 0.186069 C\n0.902123 0.677653 0.405729 Cl\n0.322347 0.097877 0.094271 Cl\n0.097877 0.322347 0.594271 Cl\n0.677653 0.902123 0.905729 Cl\n",
"nsites": 138,
"nelements": 6,
"elements": [
"Si",
"Te",
"H",
"Pt",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Pt-Si-Te",
"density": 1.5919000137267088,
"density_atomic": 0.07602742659198161,
"volume": 1815.1344348482057,
"volume_molar": 7.921010916651409,
"formula_full": "Si8 Te4 H88 Pt2 C32 Cl4",
"formula_reduced": "Si4Te2H44Pt(C8Cl)2",
"formula_anonymous": "AB2C2D4E16F44",
"energy": -699.74643015,
"energy_per_atom": -5.070626305434783,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -697.29043015,
"band_gap": 2.1648,
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"updated_at": "2021-11-28T01:36:22.266000Z",
"spacegroup": 15
},
{
"id": "mp-1176354",
"created_at": "2022-09-04T14:43:53.181802Z",
"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.665867 0.000000 0.000000\n0.180728 8.727198 0.000000\n0.055604 0.410398 10.192261\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.761646 0.916598 0.122177 Na\n0.500725 0.740451 0.371521 Na\n0.000114 0.741261 0.874545 Na\n0.499253 0.742358 0.876759 Na\n0.499803 0.254712 0.125488 Na\n0.498673 0.260396 0.627404 Na\n0.771877 0.916021 0.622749 Li\n0.968939 0.715864 0.383281 Li\n0.026257 0.276465 0.116212 Li\n0.014805 0.274874 0.624802 Li\n0.217513 0.090393 0.376588 Li\n0.232299 0.096427 0.872388 Li\n0.248542 0.642746 0.117328 Fe\n0.242955 0.657525 0.605583 Fe\n0.755984 0.338692 0.393203 Fe\n0.759014 0.348345 0.890863 Fe\n0.761143 0.582305 0.150172 P\n0.752048 0.590100 0.644556 P\n0.240768 0.406096 0.355376 P\n0.249432 0.407749 0.855262 P\n0.238236 0.957700 0.136791 C\n0.239336 0.960808 0.637753 C\n0.762532 0.038254 0.367674 C\n0.756315 0.057352 0.849368 C\n0.780885 0.893218 0.349317 O\n0.743527 0.913565 0.824928 O\n0.245105 0.927633 0.013205 O\n0.248412 0.922035 0.516084 O\n0.247857 0.844988 0.225393 O\n0.243640 0.852955 0.730835 O\n0.936224 0.684264 0.099344 O\n0.565478 0.674282 0.112295 O\n0.926915 0.699134 0.598399 O\n0.555806 0.678689 0.601377 O\n0.773426 0.562247 0.303269 O\n0.226356 0.569667 0.409903 O\n0.754952 0.568370 0.796765 O\n0.256198 0.562685 0.922899 O\n0.768708 0.421450 0.090700 O\n0.222235 0.421303 0.202749 O\n0.771205 0.431067 0.584126 O\n0.221455 0.436617 0.704178 O\n0.441043 0.320338 0.391897 O\n0.071976 0.299219 0.411559 O\n0.443402 0.308273 0.881334 O\n0.076149 0.305012 0.911489 O\n0.758062 0.136667 0.267233 O\n0.777959 0.157987 0.752394 O\n0.748665 0.089807 0.485539 O\n0.748524 0.105279 0.968402 O\n0.222294 0.097199 0.176190 O\n0.225333 0.102554 0.670358 O\n",
"nsites": 52,
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"elements": [
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"Li",
"Fe",
"P",
"C",
"O"
],
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"density": 2.8646672259457424,
"density_atomic": 0.08770035146188715,
"volume": 592.9280685106282,
"volume_molar": 6.866723632934475,
"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -370.23270478,
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