{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12136","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12134","results":[{"id":"mp-757967","created_at":"2022-09-04T14:48:03.678704Z","structure_string":"Li2 Sn8 P14 O48\n1.0\n10.543288 0.000000 0.000000\n-2.722200 10.693253 0.000000\n-4.263486 -4.936682 9.389220\nLi Sn P O\n2 8 14 48\ndirect\n0.598367 0.417292 0.718674 Li\n0.401633 0.582708 0.281326 Li\n0.502871 0.908829 0.753958 Sn\n0.011125 0.370195 0.081524 Sn\n0.505011 0.652476 0.902679 Sn\n0.982580 0.803018 0.398997 Sn\n0.017420 0.196982 0.601003 Sn\n0.494989 0.347524 0.097321 Sn\n0.988875 0.629805 0.918476 Sn\n0.497129 0.091171 0.246042 Sn\n0.784478 0.812885 0.782397 P\n0.225765 0.621784 0.447561 P\n0.206343 0.933742 0.263685 P\n0.252743 0.040873 0.753295 P\n0.261767 0.377613 0.507507 P\n0.738985 0.159267 0.124915 P\n0.756347 0.516886 0.041565 P\n0.243653 0.483114 0.958435 P\n0.261015 0.840733 0.875085 P\n0.738233 0.622387 0.492493 P\n0.747257 0.959127 0.246705 P\n0.793657 0.066258 0.736315 P\n0.774235 0.378216 0.552439 P\n0.215522 0.187115 0.217603 P\n0.868670 0.203401 0.872056 O\n0.621304 0.997519 0.674719 O\n0.646342 0.057783 0.965667 O\n0.097163 0.202852 0.107459 O\n0.387948 0.734461 0.558029 O\n0.220745 0.562068 0.302851 O\n0.685539 0.562733 0.927243 O\n0.649512 0.811157 0.805307 O\n0.200677 0.493224 0.489336 O\n0.368620 0.010094 0.710550 O\n0.285740 0.316219 0.371286 O\n0.143503 0.046383 0.223261 O\n0.170088 0.922463 0.376728 O\n0.416306 0.441509 0.634342 O\n0.901147 0.507983 0.029926 O\n0.103325 0.669264 0.450708 O\n0.869244 0.290741 0.167110 O\n0.316676 0.183516 0.878113 O\n0.186825 0.920453 0.792838 O\n0.135567 0.262348 0.492059 O\n0.113569 0.018316 0.619659 O\n0.366724 0.803390 0.817146 O\n0.355310 0.629085 0.000669 O\n0.806991 0.621792 0.196076 O\n0.193009 0.378208 0.803924 O\n0.644690 0.370915 0.999331 O\n0.633276 0.196610 0.182854 O\n0.886431 0.981684 0.380341 O\n0.864433 0.737652 0.507941 O\n0.813175 0.079547 0.207162 O\n0.683324 0.816484 0.121887 O\n0.130756 0.709259 0.832890 O\n0.896675 0.330736 0.549292 O\n0.098853 0.492017 0.970074 O\n0.583694 0.558491 0.365658 O\n0.829912 0.077537 0.623272 O\n0.856497 0.953617 0.776739 O\n0.714260 0.683781 0.628714 O\n0.631379 0.989906 0.289450 O\n0.799323 0.506776 0.510664 O\n0.350488 0.188843 0.194693 O\n0.314461 0.437267 0.072757 O\n0.779255 0.437932 0.697149 O\n0.612052 0.265539 0.441971 O\n0.902837 0.797148 0.892541 O\n0.353658 0.942217 0.034333 O\n0.378696 0.002481 0.325281 O\n0.131330 0.796599 0.127944 O\n","nsites":72,"nelements":4,"elements":["Li","Sn","P","O"],"chemical_system":"Li-O-P-Sn","density":3.3964470027192313,"density_atomic":0.06801693678718701,"volume":1058.559873480855,"volume_molar":8.853884112485416,"formula_full":"Li2 Sn8 P14 O48","formula_reduced":"LiSn4P7O24","formula_anonymous":"AB4C7D24","energy":-523.15774988,"energy_per_atom":-7.266079859444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-490.18174988,"band_gap":0.3184,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001985,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.574000Z","spacegroup":2},{"id":"mp-1190869","created_at":"2022-09-04T14:48:03.801382Z","structure_string":"Na4 B4 H16\n1.0\n4.401115 0.000000 0.000000\n0.000000 6.036459 0.000000\n0.000000 0.000000 8.150218\nNa B H\n4 4 16\ndirect\n0.250000 0.268196 0.640242 Na\n0.250000 0.231804 0.140242 Na\n0.750000 0.731804 0.359758 Na\n0.750000 0.768196 0.859758 Na\n0.250000 0.730099 0.105805 B\n0.250000 0.769901 0.605805 B\n0.750000 0.269901 0.894195 B\n0.750000 0.230099 0.394195 B\n0.250000 0.618747 0.980377 H\n0.250000 0.881253 0.480377 H\n0.750000 0.381253 0.019623 H\n0.750000 0.118747 0.519623 H\n0.250000 0.609800 0.226832 H\n0.250000 0.890200 0.726832 H\n0.750000 0.390200 0.773168 H\n0.750000 0.109800 0.273168 H\n0.976293 0.150971 0.890058 H\n0.523707 0.349029 0.390058 H\n0.476293 0.849029 0.109942 H\n0.023707 0.650971 0.609942 H\n0.023707 0.849029 0.109942 H\n0.476293 0.650971 0.609942 H\n0.523707 0.150971 0.890058 H\n0.976293 0.349029 0.390058 H\n","nsites":24,"nelements":3,"elements":["Na","B","H"],"chemical_system":"B-H-Na","density":1.1605404133128834,"density_atomic":0.11084013459415192,"volume":216.52806619080263,"volume_molar":5.433177054548378,"formula_full":"Na4 B4 H16","formula_reduced":"NaBH4","formula_anonymous":"ABC4","energy":-96.78091392,"energy_per_atom":-4.03253808,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.91691392,"band_gap":6.3939,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003912,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.412000Z","spacegroup":62},{"id":"mp-31214","created_at":"2022-09-04T14:48:03.868980Z","structure_string":"Ti24 P8\n1.0\n9.956692 0.000000 0.000000\n0.000000 9.956692 0.000000\n0.000000 0.000000 4.979036\nTi P\n24 8\ndirect\n0.971663 0.860700 0.280900 Ti\n0.360700 0.528337 0.780900 Ti\n0.639300 0.471663 0.780900 Ti\n0.028337 0.139300 0.280900 Ti\n0.528337 0.639300 0.219100 Ti\n0.139300 0.971663 0.719100 Ti\n0.860700 0.028337 0.719100 Ti\n0.471663 0.360700 0.219100 Ti\n0.819047 0.283662 0.009993 Ti\n0.783662 0.680953 0.509993 Ti\n0.216338 0.319047 0.509993 Ti\n0.180953 0.716338 0.009993 Ti\n0.680953 0.216338 0.490007 Ti\n0.716338 0.819047 0.990007 Ti\n0.283662 0.180953 0.990007 Ti\n0.319047 0.783662 0.490007 Ti\n0.916833 0.393078 0.534963 Ti\n0.893078 0.583167 0.034963 Ti\n0.106922 0.416833 0.034963 Ti\n0.083167 0.606922 0.534963 Ti\n0.583167 0.106922 0.965037 Ti\n0.606922 0.916833 0.465037 Ti\n0.393078 0.083167 0.465037 Ti\n0.416833 0.893078 0.965037 Ti\n0.458601 0.293189 0.713935 P\n0.793189 0.041399 0.213935 P\n0.206811 0.958601 0.213935 P\n0.541399 0.706811 0.713935 P\n0.041399 0.206811 0.786065 P\n0.706811 0.458601 0.286065 P\n0.293189 0.541399 0.286065 P\n0.958601 0.793189 0.786065 P\n","nsites":32,"nelements":2,"elements":["Ti","P"],"chemical_system":"P-Ti","density":4.6983474562505165,"density_atomic":0.06482978273962967,"volume":493.60029677284086,"volume_molar":9.289157707324444,"formula_full":"Ti24 P8","formula_reduced":"Ti3P","formula_anonymous":"AB3","energy":-260.25066834,"energy_per_atom":-8.132833385625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.25066834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034513,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.896000Z","spacegroup":86},{"id":"mp-1224655","created_at":"2022-09-04T14:48:03.904837Z","structure_string":"Gd2 Y2 Fe4 O12\n1.0\n5.380176 0.000000 0.000000\n0.000000 5.658002 0.000000\n0.000000 0.000000 7.758307\nGd Y Fe O\n2 2 4 12\ndirect\n0.232496 0.436727 0.500000 Gd\n0.767504 0.936727 0.500000 Gd\n0.266806 0.566343 0.000000 Y\n0.733194 0.066343 0.000000 Y\n0.249957 0.000491 0.248426 Fe\n0.750043 0.500491 0.751574 Fe\n0.249957 0.000491 0.751574 Fe\n0.750043 0.500491 0.248426 Fe\n0.555939 0.804115 0.809988 O\n0.444061 0.304115 0.190012 O\n0.943793 0.196412 0.305124 O\n0.056207 0.696412 0.694876 O\n0.943793 0.196412 0.694876 O\n0.056207 0.696412 0.305124 O\n0.555939 0.804115 0.190012 O\n0.444061 0.304115 0.809988 O\n0.134850 0.956323 0.000000 O\n0.865150 0.456323 0.000000 O\n0.358345 0.038569 0.500000 O\n0.641655 0.538569 0.500000 O\n","nsites":20,"nelements":4,"elements":["Gd","Y","Fe","O"],"chemical_system":"Fe-Gd-O-Y","density":6.3820099427059125,"density_atomic":0.08468440789718518,"volume":236.17098467857127,"volume_molar":7.111274565810797,"formula_full":"Gd2 Y2 Fe4 O12","formula_reduced":"GdY(FeO3)2","formula_anonymous":"ABC2D6","energy":-190.65143284,"energy_per_atom":-9.532571642,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-173.38343284,"band_gap":1.5830999999999995,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0000018,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.829000Z","spacegroup":26},{"id":"mp-1373183","created_at":"2022-09-04T14:48:04.095925Z","structure_string":"Mg4 Sb2 Mo2 O12\n1.0\n7.816098 0.000000 0.000000\n0.000000 5.342839 0.000000\n0.000000 0.056306 5.464289\nMg Sb Mo O\n4 2 2 12\ndirect\n0.250000 0.492570 0.444876 Mg\n0.750000 0.507430 0.555124 Mg\n0.250000 0.987028 0.968682 Mg\n0.750000 0.012972 0.031318 Mg\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.570642 0.686395 0.335796 O\n0.928636 0.843173 0.813665 O\n0.070642 0.313605 0.664204 O\n0.428636 0.156827 0.186335 O\n0.571364 0.843173 0.813665 O\n0.071364 0.156827 0.186335 O\n0.750000 0.137805 0.416597 O\n0.929358 0.686395 0.335796 O\n0.250000 0.632747 0.094334 O\n0.429358 0.313605 0.664204 O\n0.250000 0.862195 0.583403 O\n0.750000 0.367253 0.905666 O\n","nsites":20,"nelements":4,"elements":["Mg","Sb","Mo","O"],"chemical_system":"Mg-Mo-O-Sb","density":5.273019225586242,"density_atomic":0.08764643411664919,"volume":228.18954589050225,"volume_molar":6.870947826565421,"formula_full":"Mg4 Sb2 Mo2 O12","formula_reduced":"Mg2SbMoO6","formula_anonymous":"ABC2D6","energy":-142.24127248,"energy_per_atom":-7.112063623999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.59327248,"band_gap":0.7279,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0021675,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.842000Z","spacegroup":11},{"id":"mp-671957","created_at":"2022-09-04T14:48:04.138420Z","structure_string":"Na1 Zr2 Cu1 F11\n1.0\n5.616023 0.000000 0.000000\n-1.643363 5.622265 0.000000\n-0.910998 -3.104310 7.077817\nNa Zr Cu F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.487146 0.505721 0.762999 Zr\n0.512854 0.494279 0.237001 Zr\n0.000000 0.000000 0.500000 Cu\n0.259511 0.721956 0.110439 F\n0.189420 0.232442 0.709536 F\n0.775569 0.817722 0.669416 F\n0.740489 0.278044 0.889561 F\n0.336982 0.323396 0.016165 F\n0.810580 0.767558 0.290464 F\n0.763141 0.238897 0.353018 F\n0.236859 0.761103 0.646982 F\n0.224431 0.182278 0.330584 F\n0.500000 0.500000 0.500000 F\n0.663018 0.676604 0.983835 F\n","nsites":15,"nelements":4,"elements":["Na","Zr","Cu","F"],"chemical_system":"Cu-F-Na-Zr","density":3.551458698322933,"density_atomic":0.0671199678708028,"volume":223.48044070690037,"volume_molar":8.972204473625252,"formula_full":"Na1 Zr2 Cu1 F11","formula_reduced":"NaZr2CuF11","formula_anonymous":"ABC2D11","energy":-78.42716089999999,"energy_per_atom":-5.228477393333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.3451609,"band_gap":0.0524999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0004958,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.329000Z","spacegroup":2},{"id":"mp-30906","created_at":"2022-09-04T14:48:03.677096Z","structure_string":"Sr8 Al24 O44\n1.0\n4.932063 0.000000 0.000000\n0.000000 8.492267 0.000000\n0.000000 0.000000 22.174844\nSr Al O\n8 24 44\ndirect\n0.960879 0.500000 0.654556 Sr\n0.460879 0.000000 0.845444 Sr\n0.039121 0.500000 0.345444 Sr\n0.539121 0.000000 0.154556 Sr\n0.384601 0.500000 0.861772 Sr\n0.884601 0.000000 0.638228 Sr\n0.615399 0.500000 0.138228 Sr\n0.115399 0.000000 0.361772 Sr\n0.507040 0.320980 0.425725 Al\n0.007040 0.179020 0.074275 Al\n0.492960 0.320980 0.574275 Al\n0.992960 0.179020 0.925725 Al\n0.492960 0.679020 0.574275 Al\n0.992960 0.820980 0.925725 Al\n0.507040 0.679020 0.425725 Al\n0.007040 0.820980 0.074275 Al\n0.614715 0.205193 0.286253 Al\n0.114715 0.294807 0.213747 Al\n0.385285 0.205193 0.713747 Al\n0.885285 0.294807 0.786253 Al\n0.385285 0.794807 0.713747 Al\n0.885285 0.705193 0.786253 Al\n0.614715 0.794807 0.286253 Al\n0.114715 0.705193 0.213747 Al\n0.000000 0.833094 0.500000 Al\n0.500000 0.666906 0.000000 Al\n0.000000 0.166906 0.500000 Al\n0.500000 0.333094 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.470165 0.260954 0.215937 O\n0.970165 0.239046 0.284063 O\n0.529835 0.260954 0.784063 O\n0.029835 0.239046 0.715937 O\n0.529835 0.739046 0.784063 O\n0.029835 0.760954 0.715937 O\n0.470165 0.739046 0.215937 O\n0.970165 0.760954 0.284063 O\n0.152164 0.662956 0.548367 O\n0.652164 0.837044 0.951633 O\n0.847836 0.662956 0.451633 O\n0.347836 0.837044 0.048367 O\n0.847836 0.337044 0.451633 O\n0.347836 0.162956 0.048367 O\n0.152164 0.337044 0.548367 O\n0.652164 0.162956 0.951633 O\n0.670952 0.500000 0.955175 O\n0.170952 0.000000 0.544825 O\n0.178098 0.342105 0.951681 O\n0.329048 0.500000 0.044825 O\n0.993305 0.181609 0.153434 O\n0.493305 0.318391 0.346566 O\n0.006695 0.181609 0.846566 O\n0.506695 0.318391 0.653434 O\n0.006695 0.818391 0.846566 O\n0.506695 0.681609 0.653434 O\n0.993305 0.818391 0.153434 O\n0.493305 0.681609 0.346566 O\n0.821902 0.657895 0.048319 O\n0.321902 0.842105 0.451681 O\n0.178098 0.657895 0.951681 O\n0.678098 0.842105 0.548319 O\n0.824833 0.000000 0.056122 O\n0.324833 0.500000 0.443878 O\n0.175167 0.000000 0.943878 O\n0.675167 0.500000 0.556122 O\n0.560299 0.000000 0.297728 O\n0.060299 0.500000 0.202272 O\n0.439701 0.000000 0.702272 O\n0.939701 0.500000 0.797728 O\n0.321902 0.157895 0.451681 O\n0.821902 0.342105 0.048319 O\n0.678098 0.157895 0.548319 O\n0.829048 0.000000 0.455175 O\n","nsites":76,"nelements":3,"elements":["Sr","Al","O"],"chemical_system":"Al-O-Sr","density":3.6695890391978665,"density_atomic":0.0818277789889149,"volume":928.7799441592521,"volume_molar":7.359530998410468,"formula_full":"Sr8 Al24 O44","formula_reduced":"Sr2Al6O11","formula_anonymous":"A2B6C11","energy":-583.9232221599999,"energy_per_atom":-7.683200291578946,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-553.69522216,"band_gap":4.222,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012142,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.157000Z","spacegroup":58},{"id":"mp-1213393","created_at":"2022-09-04T14:48:03.802804Z","structure_string":"H54 C36 N66\n1.0\n5.478213 9.176414 0.000000\n-5.478213 9.176414 0.000000\n0.000000 1.114760 16.171506\nH C N\n54 36 66\ndirect\n0.576522 0.020693 0.411633 H\n0.423478 0.979307 0.588367 H\n0.979307 0.423478 0.088367 H\n0.020693 0.576522 0.911633 H\n0.221112 0.211104 0.165816 H\n0.778888 0.788896 0.834184 H\n0.788896 0.778888 0.334184 H\n0.211104 0.221112 0.665816 H\n0.399441 0.601844 0.999283 H\n0.600559 0.398156 0.000717 H\n0.398156 0.600559 0.500717 H\n0.601844 0.399441 0.499283 H\n0.264561 0.959477 0.126580 H\n0.735439 0.040523 0.873420 H\n0.040523 0.735439 0.373420 H\n0.959477 0.264561 0.626580 H\n0.190673 0.004122 0.344569 H\n0.809327 0.995878 0.655431 H\n0.995878 0.809327 0.155431 H\n0.004122 0.190673 0.844569 H\n0.317203 0.055516 0.373520 H\n0.682797 0.944484 0.626480 H\n0.944484 0.682797 0.126480 H\n0.055516 0.317203 0.873520 H\n0.712281 0.019391 0.187387 H\n0.287719 0.980609 0.812613 H\n0.980609 0.287719 0.312613 H\n0.019391 0.712281 0.687387 H\n0.200689 0.841836 0.158538 H\n0.799311 0.158164 0.841462 H\n0.158164 0.799311 0.341462 H\n0.841836 0.200689 0.658538 H\n0.600378 0.204822 0.181510 H\n0.399622 0.795178 0.818490 H\n0.795178 0.399622 0.318490 H\n0.204822 0.600378 0.681510 H\n0.387584 0.143282 0.210379 H\n0.612416 0.856718 0.789621 H\n0.856718 0.612416 0.289621 H\n0.143282 0.387584 0.710379 H\n0.793048 0.883459 0.033106 H\n0.206952 0.116541 0.966894 H\n0.116541 0.206952 0.466894 H\n0.883459 0.793048 0.533106 H\n0.332739 0.784034 0.003922 H\n0.667261 0.215966 0.996078 H\n0.215966 0.667261 0.496078 H\n0.784034 0.332739 0.503922 H\n0.567361 0.432639 0.250000 H\n0.432639 0.567361 0.750000 H\n0.612130 0.992712 0.022136 H\n0.387870 0.007288 0.977864 H\n0.007288 0.387870 0.477864 H\n0.992712 0.612130 0.522136 H\n0.049577 0.048004 0.129523 C\n0.950423 0.951996 0.870477 C\n0.951996 0.950423 0.370477 C\n0.048004 0.049577 0.629523 C\n0.675003 0.781621 0.048462 C\n0.324997 0.218379 0.951538 C\n0.218379 0.324997 0.451538 C\n0.781621 0.675003 0.548462 C\n0.403238 0.860418 0.324076 C\n0.596762 0.139582 0.675924 C\n0.139582 0.596762 0.175924 C\n0.860418 0.403238 0.824076 C\n0.640901 0.717136 0.310499 C\n0.359099 0.282864 0.689501 C\n0.282864 0.359099 0.189501 C\n0.717136 0.640901 0.810499 C\n0.811324 0.135764 0.148028 C\n0.188676 0.864236 0.851972 C\n0.864236 0.188676 0.351972 C\n0.135764 0.811324 0.648028 C\n0.457846 0.230811 0.434854 C\n0.542154 0.769189 0.565146 C\n0.769189 0.542154 0.065146 C\n0.230811 0.457846 0.934854 C\n0.716513 0.098646 0.391811 C\n0.283487 0.901354 0.608189 C\n0.901354 0.283487 0.108189 C\n0.098646 0.716513 0.891811 C\n0.538583 0.675526 0.032843 C\n0.461417 0.324474 0.967157 C\n0.324474 0.461417 0.467157 C\n0.675526 0.538583 0.532843 C\n0.487683 0.638531 0.277301 C\n0.512317 0.361469 0.722699 C\n0.361470 0.512317 0.222699 C\n0.638531 0.487683 0.777301 C\n0.692319 0.899610 0.045202 N\n0.307681 0.100390 0.954798 N\n0.100390 0.307681 0.454798 N\n0.899610 0.692319 0.545202 N\n0.294021 0.985566 0.345739 N\n0.705979 0.014434 0.654261 N\n0.014434 0.705979 0.154261 N\n0.985566 0.294021 0.845739 N\n0.940473 0.018926 0.145589 N\n0.059527 0.981074 0.854411 N\n0.981074 0.059527 0.354411 N\n0.018926 0.940473 0.645589 N\n0.372501 0.760792 0.295777 N\n0.627499 0.239208 0.704223 N\n0.239208 0.627499 0.204223 N\n0.760792 0.372501 0.795777 N\n0.656424 0.790907 0.566425 N\n0.343576 0.209093 0.433575 N\n0.209093 0.343576 0.933575 N\n0.790907 0.656424 0.066425 N\n0.535094 0.845449 0.331213 N\n0.464906 0.154551 0.668787 N\n0.154551 0.464906 0.168787 N\n0.845449 0.535094 0.831213 N\n0.697551 0.118178 0.171070 N\n0.302449 0.881822 0.828930 N\n0.881822 0.302449 0.328930 N\n0.118178 0.697551 0.671070 N\n0.584455 0.111813 0.415138 N\n0.415545 0.888187 0.584862 N\n0.888187 0.415545 0.084862 N\n0.111813 0.584455 0.915138 N\n0.821386 0.962474 0.389144 N\n0.178614 0.037526 0.610856 N\n0.037526 0.178614 0.110856 N\n0.962474 0.821386 0.889144 N\n0.412632 0.685586 0.016753 N\n0.587368 0.314414 0.983247 N\n0.314414 0.587368 0.483247 N\n0.685586 0.412632 0.516753 N\n0.474427 0.525573 0.250000 N\n0.525573 0.474427 0.750000 N\n0.544180 0.799291 0.036031 N\n0.455820 0.200709 0.963969 N\n0.200709 0.455820 0.463969 N\n0.799291 0.544180 0.536031 N\n0.456896 0.350361 0.455568 N\n0.543104 0.649639 0.544432 N\n0.649639 0.543104 0.044432 N\n0.350361 0.456896 0.955568 N\n0.182441 0.936969 0.130115 N\n0.817559 0.063031 0.869885 N\n0.063031 0.817559 0.369885 N\n0.936969 0.182441 0.630115 N\n0.392456 0.375032 0.215373 N\n0.607544 0.624968 0.784627 N\n0.624968 0.607544 0.284627 N\n0.375032 0.392456 0.715373 N\n0.729268 0.214857 0.371773 N\n0.270732 0.785143 0.628227 N\n0.785143 0.270732 0.128227 N\n0.214857 0.729268 0.871773 N\n0.303629 0.224973 0.183076 N\n0.696371 0.775027 0.816924 N\n0.775027 0.696371 0.316924 N\n0.224973 0.303629 0.683076 N\n","nsites":156,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.4413271690425729,"density_atomic":0.09594718190672469,"volume":1625.894548436616,"volume_molar":6.276516558719192,"formula_full":"H54 C36 N66","formula_reduced":"H9C6N11","formula_anonymous":"A6B9C11","energy":-1112.81384793,"energy_per_atom":-7.133422102115385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1088.98784793,"band_gap":3.6852,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1895033,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.515000Z","spacegroup":15},{"id":"mp-23038","created_at":"2022-09-04T14:48:03.905836Z","structure_string":"Cs2 V2 Br6\n1.0\n3.865717 -6.695619 0.000000\n3.865717 6.695619 0.000000\n0.000000 0.000000 6.574832\nCs V Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.155615 0.844385 0.250000 Br\n0.844385 0.688770 0.750000 Br\n0.155615 0.311230 0.250000 Br\n0.844385 0.155615 0.750000 Br\n0.311230 0.155615 0.750000 Br\n0.688770 0.844385 0.250000 Br\n","nsites":10,"nelements":3,"elements":["Cs","V","Br"],"chemical_system":"Br-Cs-V","density":4.13292488312573,"density_atomic":0.029380863388252732,"volume":340.35759493705933,"volume_molar":20.496813454460344,"formula_full":"Cs2 V2 Br6","formula_reduced":"CsVBr3","formula_anonymous":"ABC3","energy":-45.63302375,"energy_per_atom":-4.563302375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.42902375,"band_gap":0.6528,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9993822,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.781000Z","spacegroup":194},{"id":"mp-554206","created_at":"2022-09-04T14:48:03.982450Z","structure_string":"Cs2 Al2 As2 O7\n1.0\n-2.781204 4.524586 5.078449\n2.781204 -4.524586 5.078449\n2.781204 4.524586 -5.078449\nCs Al As O\n2 2 2 7\ndirect\n0.344478 0.000000 0.344478 Cs\n0.698922 0.500000 0.198922 Cs\n0.775607 0.837983 0.937624 Al\n0.099641 0.162017 0.937624 Al\n0.316338 0.700043 0.616295 As\n0.916252 0.299957 0.616295 As\n0.253175 0.997458 0.743707 O\n0.000089 0.000000 0.000089 O\n0.577901 0.837724 0.740177 O\n0.253175 0.509468 0.255717 O\n0.746250 0.002542 0.255717 O\n0.746250 0.490532 0.743707 O\n0.902453 0.162276 0.740177 O\n","nsites":13,"nelements":4,"elements":["Cs","Al","As","O"],"chemical_system":"Al-As-Cs-O","density":3.7781605497759223,"density_atomic":0.05085580964404254,"volume":255.62467869436176,"volume_molar":11.84159843713246,"formula_full":"Cs2 Al2 As2 O7","formula_reduced":"Cs2Al2As2O7","formula_anonymous":"A2B2C2D7","energy":-85.79411198,"energy_per_atom":-6.599547075384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.98511198,"band_gap":3.6622,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020712,"is_theoretical":false,"updated_at":"2021-11-28T01:38:23.551000Z","spacegroup":44},{"id":"mp-1227843","created_at":"2022-09-04T14:48:04.001036Z","structure_string":"Ba2 Sr2 Pb4 O12\n1.0\n6.073284 0.000000 0.000000\n0.000000 6.138756 0.000000\n0.000000 0.000000 8.612219\nBa Sr Pb O\n2 2 4 12\ndirect\n0.260012 0.965389 0.000000 Ba\n0.739988 0.465389 0.000000 Ba\n0.242521 0.042929 0.500000 Sr\n0.757479 0.542929 0.500000 Sr\n0.250395 0.499792 0.744028 Pb\n0.749605 0.999792 0.255972 Pb\n0.250395 0.499792 0.255972 Pb\n0.749605 0.999792 0.744028 Pb\n0.041250 0.787255 0.694949 O\n0.958750 0.287255 0.305051 O\n0.457565 0.206887 0.215697 O\n0.542435 0.706887 0.784303 O\n0.457565 0.206887 0.784303 O\n0.542435 0.706887 0.215697 O\n0.041250 0.787255 0.305051 O\n0.958750 0.287255 0.694949 O\n0.179486 0.511273 0.000000 O\n0.820514 0.011273 0.000000 O\n0.346125 0.456140 0.500000 O\n0.653875 0.956140 0.500000 O\n","nsites":20,"nelements":4,"elements":["Ba","Sr","Pb","O"],"chemical_system":"Ba-O-Pb-Sr","density":7.605893941463241,"density_atomic":0.06228894410006486,"volume":321.08426766507307,"volume_molar":9.668073278502932,"formula_full":"Ba2 Sr2 Pb4 O12","formula_reduced":"BaSr(PbO3)2","formula_anonymous":"ABC2D6","energy":-123.95247131,"energy_per_atom":-6.197623565500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.70847131,"band_gap":0.5665,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.849000Z","spacegroup":26},{"id":"mp-5694","created_at":"2022-09-04T14:48:04.009093Z","structure_string":"Na1 Ho1 S2\n1.0\n6.745936 -1.984221 0.000000\n6.745936 1.984221 0.000000\n6.162306 0.000000 3.386853\nNa Ho S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ho\n0.742370 0.742370 0.742370 S\n0.257630 0.257630 0.257630 S\n","nsites":4,"nelements":3,"elements":["Na","Ho","S"],"chemical_system":"Ho-Na-S","density":4.616122780831445,"density_atomic":0.044116534519985415,"volume":90.66895311525305,"volume_molar":13.65052995554736,"formula_full":"Na1 Ho1 S2","formula_reduced":"NaHoS2","formula_anonymous":"ABC2","energy":-22.56908449,"energy_per_atom":-5.6422711225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.56308449,"band_gap":2.3355,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.49e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.686000Z","spacegroup":166}]}