{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10150","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10148","results":[{"id":"mp-1183130","created_at":"2022-09-04T14:41:03.975794Z","structure_string":"Al3 Ag1\n1.0\n4.081513 0.000000 0.000000\n0.000000 4.081513 0.000000\n0.000000 0.000000 4.081513\nAl Ag\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Ag\n","nsites":4,"nelements":2,"elements":["Al","Ag"],"chemical_system":"Ag-Al","density":4.6112324372586855,"density_atomic":0.058829673623979103,"volume":67.99289803249208,"volume_molar":10.236570065799858,"formula_full":"Al3 Ag1","formula_reduced":"Al3Ag","formula_anonymous":"AB3","energy":-13.89746593,"energy_per_atom":-3.4743664825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.89746593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.27e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.954000Z","spacegroup":221},{"id":"mp-697882","created_at":"2022-09-04T14:41:03.027450Z","structure_string":"K2 Zn1 Cr4 H4 O16\n1.0\n6.896906 0.000000 0.000000\n-3.423621 -7.055592 0.000000\n-1.157757 0.457090 -7.907230\nK Zn Cr H O\n2 1 4 4 16\ndirect\n0.708134 0.264782 0.826045 K\n0.291866 0.735218 0.173955 K\n0.000000 0.000000 0.500000 Zn\n0.276055 0.506158 0.667001 Cr\n0.723945 0.493842 0.332999 Cr\n0.739706 0.794575 0.843359 Cr\n0.260294 0.205425 0.156641 Cr\n0.736536 0.144464 0.388903 H\n0.263464 0.855536 0.611097 H\n0.826579 0.091944 0.235540 H\n0.173421 0.908056 0.764460 H\n0.152315 0.536647 0.812979 O\n0.847685 0.463353 0.187021 O\n0.844956 0.714200 0.412544 O\n0.155044 0.285800 0.587456 O\n0.286554 0.658162 0.521712 O\n0.713446 0.341838 0.478288 O\n0.550235 0.558441 0.762254 O\n0.449765 0.441559 0.237746 O\n0.961648 0.784636 0.933963 O\n0.038352 0.215364 0.066037 O\n0.628771 0.864822 0.975852 O\n0.371229 0.135178 0.024148 O\n0.793452 0.940173 0.686455 O\n0.206548 0.059827 0.313545 O\n0.758987 0.040942 0.336674 O\n0.241013 0.959058 0.663326 O\n","nsites":27,"nelements":5,"elements":["K","Zn","Cr","H","O"],"chemical_system":"Cr-H-K-O-Zn","density":2.6394477633826106,"density_atomic":0.07017002426206786,"volume":384.77968739417287,"volume_molar":8.582212737320395,"formula_full":"K2 Zn1 Cr4 H4 O16","formula_reduced":"K2ZnCr4(HO4)4","formula_anonymous":"AB2C4D4E16","energy":-180.10804713,"energy_per_atom":-6.670668412222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.12004713,"band_gap":2.1978,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012967,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.084000Z","spacegroup":2},{"id":"mp-1247574","created_at":"2022-09-04T14:41:03.035651Z","structure_string":"Sr1 Ca7 Ti1 Mn7 O21\n1.0\n7.797315 0.011358 0.034507\n0.011618 7.780153 -0.017349\n0.035297 -0.017502 7.782711\nSr Ca Ti Mn O\n1 7 1 7 21\ndirect\n0.243121 0.252561 0.255950 Sr\n0.290406 0.241194 0.727265 Ca\n0.237991 0.732523 0.233645 Ca\n0.290127 0.749590 0.712046 Ca\n0.754878 0.257668 0.288584 Ca\n0.748837 0.271183 0.738675 Ca\n0.725079 0.736129 0.249853 Ca\n0.761970 0.751117 0.699535 Ca\n0.009009 0.994320 0.977801 Ti\n0.001019 0.999957 0.514500 Mn\n0.987455 0.502087 0.018341 Mn\n0.006403 0.501083 0.511376 Mn\n0.500612 0.998587 0.983222 Mn\n0.510712 0.997090 0.477068 Mn\n0.503965 0.502350 0.986020 Mn\n0.505907 0.503353 0.509262 Mn\n0.905130 0.011169 0.771587 O\n0.044083 0.505626 0.265574 O\n0.949735 0.498306 0.769947 O\n0.513590 0.057288 0.226091 O\n0.525571 0.949423 0.732716 O\n0.535310 0.555707 0.744902 O\n0.237889 0.990052 0.942636 O\n0.252869 0.030698 0.500463 O\n0.251680 0.501582 0.997381 O\n0.259884 0.466306 0.534687 O\n0.761398 0.960766 0.446508 O\n0.732203 0.480148 0.074015 O\n0.750381 0.531214 0.467097 O\n0.968573 0.189029 0.098723 O\n0.969874 0.248577 0.502792 O\n0.961767 0.789329 0.079098 O\n0.042843 0.752787 0.528712 O\n0.506889 0.250028 0.932826 O\n0.537701 0.260979 0.522059 O\n0.501672 0.748409 0.047417 O\n0.463467 0.731785 0.431625 O\n","nsites":37,"nelements":5,"elements":["Sr","Ca","Ti","Mn","O"],"chemical_system":"Ca-Mn-O-Sr-Ti","density":3.9976006246069753,"density_atomic":0.0783699293777831,"volume":472.11985890201703,"volume_molar":7.684249313241312,"formula_full":"Sr1 Ca7 Ti1 Mn7 O21","formula_reduced":"SrCa7TiMn7O21","formula_anonymous":"ABC7D7E21","energy":-290.19251055,"energy_per_atom":-7.843040825675676,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.08951055,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.0022841,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.464000Z","spacegroup":1},{"id":"mp-728764","created_at":"2022-09-04T14:41:03.041270Z","structure_string":"Cu2 P2 Pb4 S2 O18\n1.0\n5.776966 0.000000 0.000000\n0.000000 8.345001 0.000000\n0.000000 3.136458 7.946767\nCu P Pb S O\n2 2 4 2 18\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.028617 0.666261 P\n0.750000 0.971383 0.333739 P\n0.750000 0.712518 0.757272 Pb\n0.250000 0.287482 0.242728 Pb\n0.750000 0.273859 0.625256 Pb\n0.250000 0.726141 0.374744 Pb\n0.250000 0.453169 0.823887 S\n0.750000 0.546831 0.176113 S\n0.476249 0.993831 0.780122 O\n0.976249 0.006169 0.219878 O\n0.523751 0.006169 0.219878 O\n0.023751 0.993831 0.780122 O\n0.250000 0.221526 0.551955 O\n0.750000 0.778474 0.448045 O\n0.250000 0.905600 0.572508 O\n0.750000 0.094400 0.427492 O\n0.460944 0.496083 0.710435 O\n0.960944 0.503917 0.289565 O\n0.539056 0.503917 0.289565 O\n0.039056 0.496083 0.710435 O\n0.250000 0.557017 0.930916 O\n0.750000 0.442983 0.069084 O\n0.250000 0.266284 0.930190 O\n0.750000 0.733716 0.069810 O\n0.250000 0.858939 0.071797 O\n0.750000 0.141061 0.928203 O\n","nsites":28,"nelements":5,"elements":["Cu","P","Pb","S","O"],"chemical_system":"Cu-O-P-Pb-S","density":5.937995929615089,"density_atomic":0.07308720385349296,"volume":383.1039980148568,"volume_molar":8.239665006300816,"formula_full":"Cu2 P2 Pb4 S2 O18","formula_reduced":"CuPPb2SO9","formula_anonymous":"ABCD2E9","energy":-184.40246291000005,"energy_per_atom":-6.5858022467857165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.03646291,"band_gap":0.6518000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011642,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.099000Z","spacegroup":11},{"id":"mp-1076992","created_at":"2022-09-04T14:41:03.043692Z","structure_string":"U1 Ir1 Pt4\n1.0\n0.000000 3.731125 3.731125\n3.731125 0.000000 3.731125\n3.731125 3.731125 0.000000\nU Ir Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ir\n0.624661 0.624661 0.126018 Pt\n0.624661 0.126018 0.624661 Pt\n0.126018 0.624661 0.624661 Pt\n0.624661 0.624661 0.624661 Pt\n","nsites":6,"nelements":3,"elements":["U","Ir","Pt"],"chemical_system":"Ir-Pt-U","density":19.35057545035645,"density_atomic":0.0577566316959013,"volume":103.88417440253515,"volume_molar":10.426752016474259,"formula_full":"U1 Ir1 Pt4","formula_reduced":"UIrPt4","formula_anonymous":"ABC4","energy":-46.54647661,"energy_per_atom":-7.757746101666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.54647661,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016119,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.591000Z","spacegroup":216},{"id":"mp-561037","created_at":"2022-09-04T14:41:03.044980Z","structure_string":"K8 U1 Cr4 N2 O24\n1.0\n7.236121 0.000000 0.000000\n-0.556202 9.835750 0.000000\n-1.276499 -2.743247 9.407374\nK U Cr N O\n8 1 4 2 24\ndirect\n0.994261 0.737392 0.245172 K\n0.748078 0.490648 0.459015 K\n0.251922 0.509352 0.540985 K\n0.607860 0.304129 0.050405 K\n0.378759 0.090942 0.348092 K\n0.005739 0.262608 0.754828 K\n0.621241 0.909058 0.651908 K\n0.392140 0.695871 0.949595 K\n0.000000 0.000000 0.000000 U\n0.129490 0.875302 0.638837 Cr\n0.854432 0.613098 0.841415 Cr\n0.870510 0.124698 0.361163 Cr\n0.145568 0.386902 0.158585 Cr\n0.495115 0.702449 0.295693 N\n0.504885 0.297551 0.704307 N\n0.781502 0.511040 0.933760 O\n0.327616 0.341803 0.249689 O\n0.711179 0.204804 0.285133 O\n0.983104 0.762406 0.959664 O\n0.528941 0.319900 0.586645 O\n0.016896 0.237594 0.040336 O\n0.974787 0.754318 0.525922 O\n0.218498 0.488960 0.066240 O\n0.471059 0.680100 0.413355 O\n0.601710 0.212569 0.752002 O\n0.672384 0.658197 0.750311 O\n0.384515 0.360692 0.774016 O\n0.743896 0.994121 0.955506 O\n0.233522 0.973771 0.555518 O\n0.398290 0.787431 0.247998 O\n0.615485 0.639308 0.225984 O\n0.015773 0.981628 0.767655 O\n0.025213 0.245682 0.474078 O\n0.256104 0.005879 0.044494 O\n0.766478 0.026229 0.444482 O\n0.011359 0.472006 0.270585 O\n0.288821 0.795196 0.714867 O\n0.988641 0.527994 0.729415 O\n0.984227 0.018372 0.232345 O\n","nsites":39,"nelements":5,"elements":["K","U","Cr","N","O"],"chemical_system":"Cr-K-N-O-U","density":2.903685799119771,"density_atomic":0.05824825172851921,"volume":669.5479923031753,"volume_molar":10.338749372372098,"formula_full":"K8 U1 Cr4 N2 O24","formula_reduced":"K8UCr4(NO12)2","formula_anonymous":"AB2C4D8E24","energy":-273.55264802,"energy_per_atom":-7.014170462051282,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-249.06864802000004,"band_gap":2.3938,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032983,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.082000Z","spacegroup":2},{"id":"mp-1182873","created_at":"2022-09-04T14:41:03.047443Z","structure_string":"Al8 P16\n1.0\n-3.616283 4.311690 6.943387\n3.616283 -4.311690 6.943387\n3.616283 4.311690 -6.943387\nAl P\n8 16\ndirect\n0.504831 0.585318 0.331291 Al\n0.995169 0.326460 0.080487 Al\n0.745973 0.914682 0.419513 Al\n0.754027 0.173540 0.168709 Al\n0.495169 0.414682 0.668709 Al\n0.004831 0.673540 0.919513 Al\n0.254027 0.085318 0.580487 Al\n0.245973 0.826460 0.831291 Al\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n0.250000 0.614762 0.364762 P\n0.750000 0.885238 0.135238 P\n0.750000 0.385238 0.635238 P\n0.250000 0.114762 0.864762 P\n0.817692 0.750000 0.567692 P\n0.682308 0.250000 0.932308 P\n0.182308 0.250000 0.432308 P\n0.317692 0.750000 0.067692 P\n0.516494 0.266494 0.250000 P\n0.983506 0.233506 0.750000 P\n0.483506 0.733506 0.750000 P\n0.016494 0.766494 0.250000 P\n","nsites":24,"nelements":2,"elements":["Al","P"],"chemical_system":"Al-P","density":2.727981980106281,"density_atomic":0.05542043624539727,"volume":433.0532494138068,"volume_molar":10.866281768938885,"formula_full":"Al8 P16","formula_reduced":"AlP2","formula_anonymous":"AB2","energy":-115.83401234,"energy_per_atom":-4.826417180833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.83401234,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.62e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.547000Z","spacegroup":73},{"id":"mp-1079388","created_at":"2022-09-04T14:41:03.047636Z","structure_string":"Nd2 B4 Ru4\n1.0\n0.000000 4.577923 5.011802\n3.272574 0.000000 5.011802\n3.272574 4.577923 0.000000\nNd B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Nd\n0.317005 0.682995 0.317005 B\n0.682995 0.317005 0.682995 B\n0.567005 0.932995 0.567005 B\n0.932995 0.567005 0.932995 B\n0.636495 0.636495 0.363505 Ru\n0.363505 0.363505 0.636495 Ru\n0.613505 0.613505 0.886495 Ru\n0.886495 0.886495 0.613505 Ru\n","nsites":10,"nelements":3,"elements":["Nd","B","Ru"],"chemical_system":"B-Nd-Ru","density":8.138601278425996,"density_atomic":0.0665913991493771,"volume":150.16954333048488,"volume_molar":9.043421278010992,"formula_full":"Nd2 B4 Ru4","formula_reduced":"Nd(BRu)2","formula_anonymous":"AB2C2","energy":-78.44419162,"energy_per_atom":-7.8444191619999994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.44419162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.35e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.029000Z","spacegroup":70},{"id":"mp-1194692","created_at":"2022-09-04T14:41:03.071078Z","structure_string":"Na8 Zr4 Si24 H24 O72\n1.0\n7.207048 0.000000 0.000000\n0.000000 14.848600 0.000000\n0.000000 0.000000 14.863444\nNa Zr Si H O\n8 4 24 24 72\ndirect\n0.439106 0.750000 0.768952 Na\n0.560894 0.250000 0.231048 Na\n0.439106 0.250000 0.731048 Na\n0.560894 0.750000 0.268952 Na\n0.995495 0.500000 0.750000 Na\n0.004505 0.000000 0.250000 Na\n0.004505 0.500000 0.250000 Na\n0.995495 0.000000 0.750000 Na\n0.495954 0.500000 0.750000 Zr\n0.504046 0.000000 0.250000 Zr\n0.504046 0.500000 0.250000 Zr\n0.495954 0.000000 0.750000 Zr\n0.772709 0.646367 0.613955 Si\n0.227291 0.146367 0.386045 Si\n0.772709 0.353633 0.886045 Si\n0.227291 0.853633 0.113955 Si\n0.227291 0.353633 0.386045 Si\n0.772709 0.853633 0.613955 Si\n0.227291 0.646367 0.113955 Si\n0.772709 0.146367 0.886045 Si\n0.507422 0.642275 0.952642 Si\n0.492578 0.142275 0.047358 Si\n0.507422 0.357725 0.547358 Si\n0.492578 0.857725 0.452642 Si\n0.492578 0.357725 0.047358 Si\n0.507422 0.857725 0.952642 Si\n0.492578 0.642275 0.452642 Si\n0.507422 0.142275 0.547358 Si\n0.218362 0.644507 0.608030 Si\n0.781638 0.144507 0.391970 Si\n0.218362 0.355493 0.891970 Si\n0.781638 0.855493 0.108030 Si\n0.781638 0.355493 0.391970 Si\n0.218362 0.855493 0.608030 Si\n0.781638 0.644507 0.108030 Si\n0.218362 0.144507 0.891970 Si\n0.900510 0.582224 0.925870 H\n0.099490 0.082224 0.074130 H\n0.900510 0.417776 0.574130 H\n0.099490 0.917776 0.425870 H\n0.099490 0.417776 0.074130 H\n0.900510 0.917776 0.925870 H\n0.099490 0.582224 0.425870 H\n0.900510 0.082224 0.574130 H\n0.057402 0.803527 0.834144 H\n0.942598 0.303527 0.165856 H\n0.057402 0.196473 0.665856 H\n0.942598 0.696473 0.334144 H\n0.942598 0.196473 0.165856 H\n0.057402 0.696473 0.834144 H\n0.942598 0.803527 0.334144 H\n0.057402 0.303527 0.665856 H\n0.117268 0.582154 0.923789 H\n0.882732 0.082153 0.076211 H\n0.117268 0.417846 0.576211 H\n0.882732 0.917846 0.423789 H\n0.882732 0.417846 0.076211 H\n0.117268 0.917846 0.923789 H\n0.882732 0.582154 0.423789 H\n0.117268 0.082153 0.576211 H\n0.994912 0.638258 0.596024 O\n0.005088 0.138258 0.403976 O\n0.994912 0.361742 0.903976 O\n0.005088 0.861742 0.096024 O\n0.005088 0.361742 0.403976 O\n0.994912 0.861742 0.596024 O\n0.005088 0.638258 0.096024 O\n0.994912 0.138258 0.903976 O\n0.719905 0.750000 0.645217 O\n0.280095 0.250000 0.354783 O\n0.719905 0.250000 0.854783 O\n0.280095 0.750000 0.145217 O\n0.707409 0.577472 0.690641 O\n0.292591 0.077472 0.309359 O\n0.707409 0.422528 0.809359 O\n0.292591 0.922528 0.190641 O\n0.292591 0.422528 0.309359 O\n0.707409 0.922528 0.690641 O\n0.292591 0.577472 0.190641 O\n0.707409 0.077472 0.809359 O\n0.678083 0.625673 0.515057 O\n0.321917 0.125673 0.484943 O\n0.678083 0.374327 0.984943 O\n0.321917 0.874327 0.015057 O\n0.321917 0.374327 0.484943 O\n0.678083 0.874327 0.515057 O\n0.321917 0.625673 0.015057 O\n0.678083 0.125673 0.984943 O\n0.523266 0.750000 0.928202 O\n0.476734 0.250000 0.071798 O\n0.523266 0.250000 0.571798 O\n0.476734 0.750000 0.428202 O\n0.491992 0.588700 0.859766 O\n0.508008 0.088700 0.140234 O\n0.491992 0.411300 0.640234 O\n0.508008 0.911300 0.359766 O\n0.508008 0.411300 0.140234 O\n0.491992 0.911300 0.859766 O\n0.508008 0.588700 0.359766 O\n0.491992 0.088700 0.640234 O\n0.304312 0.613389 0.509337 O\n0.695688 0.113389 0.490663 O\n0.304312 0.386611 0.990663 O\n0.695688 0.886611 0.009337 O\n0.695688 0.386611 0.490663 O\n0.304312 0.886611 0.509337 O\n0.695688 0.613389 0.009337 O\n0.304312 0.113389 0.990663 O\n0.282123 0.750000 0.624682 O\n0.717877 0.250000 0.375318 O\n0.282123 0.250000 0.875318 O\n0.717877 0.750000 0.124682 O\n0.291244 0.582767 0.689421 O\n0.708756 0.082767 0.310579 O\n0.291244 0.417233 0.810579 O\n0.708756 0.917233 0.189421 O\n0.708756 0.417233 0.310579 O\n0.291244 0.917233 0.689421 O\n0.708756 0.582767 0.189421 O\n0.291244 0.082767 0.810579 O\n0.007596 0.581689 0.884795 O\n0.992404 0.081689 0.115205 O\n0.007596 0.418311 0.615205 O\n0.992404 0.918311 0.384795 O\n0.992404 0.418311 0.115205 O\n0.007596 0.918311 0.884795 O\n0.992404 0.581689 0.384795 O\n0.007596 0.081689 0.615205 O\n0.120657 0.750000 0.809908 O\n0.879343 0.250000 0.190092 O\n0.120657 0.250000 0.690092 O\n0.879343 0.750000 0.309908 O\n","nsites":132,"nelements":5,"elements":["Na","Zr","Si","H","O"],"chemical_system":"H-Na-O-Si-Zr","density":2.5044906694418665,"density_atomic":0.08298728515744941,"volume":1590.6051119705887,"volume_molar":7.25670293777458,"formula_full":"Na8 Zr4 Si24 H24 O72","formula_reduced":"Na2ZrSi6(HO3)6","formula_anonymous":"AB2C6D6E18","energy":-966.53686822,"energy_per_atom":-7.322249001666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-917.07286822,"band_gap":4.9411000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.3012082,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.401000Z","spacegroup":57},{"id":"mp-1211542","created_at":"2022-09-04T14:41:03.027831Z","structure_string":"Li12 Ho12 Te8 O48\n1.0\n-6.189435 6.189435 6.189435\n6.189435 -6.189435 6.189435\n6.189435 6.189435 -6.189435\nLi Ho Te O\n12 12 8 48\ndirect\n0.250000 0.625000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.375000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.375000 0.125000 Ho\n0.750000 0.625000 0.875000 Ho\n0.750000 0.125000 0.375000 Ho\n0.125000 0.250000 0.375000 Ho\n0.375000 0.750000 0.125000 Ho\n0.250000 0.875000 0.625000 Ho\n0.875000 0.750000 0.625000 Ho\n0.625000 0.250000 0.875000 Ho\n0.375000 0.125000 0.250000 Ho\n0.625000 0.875000 0.750000 Ho\n0.125000 0.375000 0.750000 Ho\n0.875000 0.625000 0.250000 Ho\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.000000 Te\n0.472406 0.379313 0.300211 O\n0.527594 0.620687 0.699789 O\n0.579102 0.172194 0.199789 O\n0.920898 0.120687 0.593092 O\n0.300211 0.472406 0.379313 O\n0.327806 0.920898 0.300211 O\n0.420898 0.827806 0.800211 O\n0.079102 0.879313 0.406908 O\n0.699789 0.527594 0.620687 O\n0.672194 0.079102 0.699789 O\n0.027594 0.327806 0.906908 O\n0.199789 0.579102 0.172194 O\n0.120687 0.027594 0.199789 O\n0.972406 0.672194 0.093092 O\n0.800211 0.420898 0.827806 O\n0.879313 0.972406 0.800211 O\n0.593092 0.920898 0.120687 O\n0.172194 0.472406 0.593092 O\n0.406908 0.079102 0.879313 O\n0.827806 0.527594 0.406908 O\n0.906908 0.027594 0.327806 O\n0.379313 0.579102 0.906908 O\n0.093092 0.972406 0.672194 O\n0.620687 0.420898 0.093092 O\n0.379313 0.300211 0.472406 O\n0.579102 0.906908 0.379313 O\n0.620687 0.699789 0.527594 O\n0.420898 0.093092 0.620687 O\n0.120687 0.593092 0.920898 O\n0.027594 0.199789 0.120687 O\n0.879313 0.406908 0.079102 O\n0.972406 0.800211 0.879313 O\n0.327806 0.906908 0.027594 O\n0.920898 0.300211 0.327806 O\n0.672194 0.093092 0.972406 O\n0.079102 0.699789 0.672194 O\n0.172194 0.199789 0.579102 O\n0.472406 0.593092 0.172194 O\n0.827806 0.800211 0.420898 O\n0.527594 0.406908 0.827806 O\n0.300211 0.327806 0.920898 O\n0.699789 0.672194 0.079102 O\n0.199789 0.120687 0.027594 O\n0.800211 0.879313 0.972406 O\n0.906908 0.379313 0.579102 O\n0.093092 0.620687 0.420898 O\n0.593092 0.172194 0.472406 O\n0.406908 0.827806 0.527594 O\n","nsites":80,"nelements":4,"elements":["Li","Ho","Te","O"],"chemical_system":"Ho-Li-O-Te","density":6.742721297692856,"density_atomic":0.08434842475386999,"volume":948.4468765533113,"volume_molar":7.13960074248298,"formula_full":"Li12 Ho12 Te8 O48","formula_reduced":"Li3Ho3(TeO6)2","formula_anonymous":"A2B3C3D12","energy":-563.33851485,"energy_per_atom":-7.0417314356250005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-530.36251485,"band_gap":3.5705,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011405,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.776000Z","spacegroup":230},{"id":"mp-1097590","created_at":"2022-09-04T14:41:03.030645Z","structure_string":"Cd1 In1 Hg2\n1.0\n-6.047472 6.318742 8.554543\n6.047472 -6.318742 8.554543\n6.047472 6.318742 -8.554543\nCd In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.248016 0.000000 0.248016 Hg\n0.751984 0.000000 0.751984 Hg\n","nsites":4,"nelements":3,"elements":["Cd","In","Hg"],"chemical_system":"Cd-Hg-In","density":0.7980501792520864,"density_atomic":0.003059135381358406,"volume":1307.55899996286,"volume_molar":196.85760874452944,"formula_full":"Cd1 In1 Hg2","formula_reduced":"CdInHg2","formula_anonymous":"ABC2","energy":-1.64170846,"energy_per_atom":-0.410427115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.64170846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0001024,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.929000Z","spacegroup":71},{"id":"mp-1238854","created_at":"2022-09-04T14:41:03.044388Z","structure_string":"K4 Cr8 S16\n1.0\n13.239697 0.000000 0.000000\n0.000000 3.446776 0.000000\n0.000000 0.000000 13.920120\nK Cr S\n4 8 16\ndirect\n0.110868 0.750000 0.381159 K\n0.889132 0.250000 0.618841 K\n0.389132 0.250000 0.881159 K\n0.610868 0.750000 0.118841 K\n0.097765 0.250000 0.050301 Cr\n0.902235 0.750000 0.949699 Cr\n0.402235 0.750000 0.550301 Cr\n0.597765 0.250000 0.449699 Cr\n0.207037 0.250000 0.634012 Cr\n0.792963 0.750000 0.365988 Cr\n0.292963 0.750000 0.134012 Cr\n0.707037 0.250000 0.865988 Cr\n0.092064 0.750000 0.618521 S\n0.907936 0.250000 0.381479 S\n0.407936 0.250000 0.118521 S\n0.592064 0.750000 0.881479 S\n0.011736 0.250000 0.900680 S\n0.988264 0.750000 0.099320 S\n0.488264 0.750000 0.400680 S\n0.511736 0.250000 0.599320 S\n0.189825 0.250000 0.201610 S\n0.810175 0.750000 0.798390 S\n0.310175 0.750000 0.701610 S\n0.689825 0.250000 0.298390 S\n0.212854 0.750000 0.992684 S\n0.787146 0.250000 0.007316 S\n0.287146 0.250000 0.492684 S\n0.712854 0.750000 0.507316 S\n","nsites":28,"nelements":3,"elements":["K","Cr","S"],"chemical_system":"Cr-K-S","density":2.8373024261869824,"density_atomic":0.04407820960921245,"volume":635.2345126592422,"volume_molar":13.662398753014138,"formula_full":"K4 Cr8 S16","formula_reduced":"K(CrS2)2","formula_anonymous":"AB2C4","energy":-177.5613382,"energy_per_atom":-6.341476364285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.5133382,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9976099,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.227000Z","spacegroup":62}]}