{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10141","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10139","results":[{"id":"mp-1032435","created_at":"2022-09-04T14:45:28.822983Z","structure_string":"Sr1 Mg6 Fe1 O8\n1.0\n8.707718 0.000000 0.000000\n0.000000 4.526859 0.000000\n0.000000 0.000000 4.526859\nSr Mg Fe O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.238223 0.000000 0.500000 Mg\n0.761777 0.000000 0.500000 Mg\n0.238223 0.500000 0.000000 Mg\n0.761777 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.229023 0.000000 0.000000 O\n0.770977 0.000000 0.000000 O\n0.248886 0.500000 0.500000 O\n0.751114 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Sr","Mg","Fe","O"],"chemical_system":"Fe-Mg-O-Sr","density":3.8831931412419065,"density_atomic":0.08966473960963083,"volume":178.4424966788333,"volume_molar":6.716286453536041,"formula_full":"Sr1 Mg6 Fe1 O8","formula_reduced":"SrMg6FeO8","formula_anonymous":"ABC6D8","energy":-102.12791202,"energy_per_atom":-6.38299450125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.37591202,"band_gap":5.8406,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9999872,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.958000Z","spacegroup":123},{"id":"mp-836278","created_at":"2022-09-04T14:45:34.657403Z","structure_string":"Li2 Sb2 Mo4 O16\n1.0\n2.510959 11.050356 0.000000\n-2.510959 11.050356 0.000000\n0.000000 1.015467 5.541611\nLi Sb Mo O\n2 2 4 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.312140 0.687860 0.250000 Sb\n0.687860 0.312140 0.750000 Sb\n0.889446 0.385981 0.217744 Mo\n0.614019 0.110554 0.282256 Mo\n0.110554 0.614019 0.782256 Mo\n0.385981 0.889446 0.717744 Mo\n0.613782 0.707357 0.041453 O\n0.292643 0.386218 0.458547 O\n0.386218 0.292643 0.958547 O\n0.707357 0.613782 0.541453 O\n0.115535 0.303783 0.213037 O\n0.696217 0.884465 0.286963 O\n0.884465 0.696217 0.786963 O\n0.303783 0.115535 0.713037 O\n0.942892 0.848370 0.992194 O\n0.151630 0.057108 0.507806 O\n0.057108 0.151630 0.007806 O\n0.848370 0.942892 0.492194 O\n0.540457 0.355518 0.117734 O\n0.644482 0.459543 0.382266 O\n0.459543 0.644482 0.882266 O\n0.355518 0.540457 0.617734 O\n","nsites":24,"nelements":4,"elements":["Li","Sb","Mo","O"],"chemical_system":"Li-Mo-O-Sb","density":4.844326401528623,"density_atomic":0.078042166715411,"volume":307.5260594380796,"volume_molar":7.716521738767674,"formula_full":"Li2 Sb2 Mo4 O16","formula_reduced":"LiSb(MoO4)2","formula_anonymous":"ABC2D8","energy":-182.43462418,"energy_per_atom":-7.601442674166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.63462418,"band_gap":1.8344,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000246,"is_theoretical":false,"updated_at":"2021-11-28T01:37:08.995000Z","spacegroup":15},{"id":"mp-1180462","created_at":"2022-09-04T14:45:33.454763Z","structure_string":"Na4 Ti8 Si4 O36\n1.0\n7.905171 0.000000 0.000000\n0.000000 7.905171 0.000000\n0.000000 0.000000 12.378619\nNa Ti Si O\n4 8 4 36\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.850595 0.149405 0.352783 Ti\n0.149405 0.850595 0.352783 Ti\n0.850595 0.850595 0.852783 Ti\n0.149405 0.149405 0.852783 Ti\n0.850595 0.149405 0.647217 Ti\n0.149405 0.850595 0.647217 Ti\n0.850595 0.850595 0.147217 Ti\n0.149405 0.149405 0.147217 Ti\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.618444 0.116346 0.329368 O\n0.381556 0.883654 0.329368 O\n0.618444 0.883654 0.829368 O\n0.381556 0.116346 0.829368 O\n0.618444 0.116346 0.670632 O\n0.381556 0.883654 0.670632 O\n0.618444 0.883654 0.170632 O\n0.381556 0.116346 0.170632 O\n0.116346 0.618444 0.329368 O\n0.883654 0.381556 0.329368 O\n0.883654 0.618444 0.829368 O\n0.116346 0.381556 0.829368 O\n0.116346 0.618444 0.670632 O\n0.883654 0.381556 0.670632 O\n0.883654 0.618444 0.170632 O\n0.116346 0.381556 0.170632 O\n0.900475 0.099525 0.168192 O\n0.099525 0.900475 0.168192 O\n0.900475 0.900475 0.668192 O\n0.099525 0.099525 0.668192 O\n0.900475 0.099525 0.831808 O\n0.099525 0.900475 0.831808 O\n0.900475 0.900475 0.331808 O\n0.099525 0.099525 0.331808 O\n0.847956 0.152044 0.500000 O\n0.152044 0.847956 0.500000 O\n0.847956 0.847956 0.000000 O\n0.152044 0.152044 0.000000 O\n0.758276 0.241724 0.000000 O\n0.241724 0.758276 0.000000 O\n0.758276 0.758276 0.500000 O\n0.241724 0.241724 0.500000 O\n0.500000 0.500000 0.450393 O\n0.500000 0.500000 0.950393 O\n0.500000 0.500000 0.549607 O\n0.500000 0.500000 0.049607 O\n","nsites":52,"nelements":4,"elements":["Na","Ti","Si","O"],"chemical_system":"Na-O-Si-Ti","density":2.496976964888841,"density_atomic":0.06722156358959264,"volume":773.5612982386909,"volume_molar":8.958644277849496,"formula_full":"Na4 Ti8 Si4 O36","formula_reduced":"NaTi2SiO9","formula_anonymous":"ABC2D9","energy":-377.65551737,"energy_per_atom":-7.26260610326923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-371.85951737,"band_gap":0.0428999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.180000Z","spacegroup":132},{"id":"mp-1112551","created_at":"2022-09-04T14:45:28.840554Z","structure_string":"Cs2 Tl1 Sb1 F6\n1.0\n0.000000 4.918375 4.918375\n4.918375 0.000000 4.918375\n4.918375 4.918375 0.000000\nCs Tl Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.775291 0.224709 0.224709 F\n0.224709 0.224709 0.775291 F\n0.224709 0.775291 0.775291 F\n0.224709 0.775291 0.224709 F\n0.775291 0.224709 0.775291 F\n0.775291 0.775291 0.224709 F\n","nsites":10,"nelements":4,"elements":["Cs","Tl","Sb","F"],"chemical_system":"Cs-F-Sb-Tl","density":4.926344984111259,"density_atomic":0.04202474524250367,"volume":237.955041542668,"volume_molar":14.329987547215943,"formula_full":"Cs2 Tl1 Sb1 F6","formula_reduced":"Cs2TlSbF6","formula_anonymous":"ABC2D6","energy":-46.58330550000001,"energy_per_atom":-4.6583305500000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.8113055,"band_gap":2.5275,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025746,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.043000Z","spacegroup":225},{"id":"mp-1080434","created_at":"2022-09-04T14:45:33.643987Z","structure_string":"Sr8 Y4 Co4 O24\n1.0\n-5.790425 0.000301 -0.000135\n2.895569 -8.685373 -3.987481\n0.000490 -5.789572 7.973840\nSr Y Co O\n8 4 4 24\ndirect\n0.687255 0.374794 0.437517 Sr\n0.437532 0.875131 0.187460 Sr\n0.187441 0.374886 0.937519 Sr\n0.937500 0.875139 0.687526 Sr\n0.312442 0.624871 0.562510 Sr\n0.062650 0.125165 0.312488 Sr\n0.812567 0.624828 0.062464 Sr\n0.562613 0.125188 0.812516 Sr\n0.124997 0.249997 0.625004 Y\n0.875000 0.749999 0.375022 Y\n0.625022 0.250054 0.125005 Y\n0.374973 0.749935 0.874988 Y\n0.499912 0.999820 0.499964 Co\n0.250070 0.500149 0.250105 Co\n0.750113 0.500217 0.749945 Co\n0.999907 0.999818 0.999975 Co\n0.805856 0.611684 0.582139 O\n0.555901 0.111994 0.332307 O\n0.305659 0.611684 0.082121 O\n0.055908 0.111873 0.832333 O\n0.194229 0.388111 0.417724 O\n0.944189 0.888335 0.167828 O\n0.694037 0.388112 0.917697 O\n0.444225 0.888214 0.667839 O\n0.791050 0.116369 0.558190 O\n0.540973 0.616413 0.308261 O\n0.291033 0.116356 0.058215 O\n0.041026 0.616473 0.808201 O\n0.458941 0.383654 0.691774 O\n0.208989 0.883517 0.441816 O\n0.958955 0.383686 0.191733 O\n0.709023 0.883533 0.941813 O\n0.325303 0.116376 0.558167 O\n0.075468 0.616490 0.308167 O\n0.825286 0.116361 0.058224 O\n0.575455 0.616492 0.808203 O\n0.924718 0.383636 0.691770 O\n0.674518 0.883493 0.441837 O\n0.424715 0.383619 0.191827 O\n0.174549 0.883537 0.941806 O\n","nsites":40,"nelements":4,"elements":["Sr","Y","Co","O"],"chemical_system":"Co-O-Sr-Y","density":5.205918382647697,"density_atomic":0.07480937781074272,"volume":534.6923229490615,"volume_molar":8.049981080226566,"formula_full":"Sr8 Y4 Co4 O24","formula_reduced":"Sr2YCoO6","formula_anonymous":"ABC2D6","energy":-289.72508561,"energy_per_atom":-7.24312714025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.68508561,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.646000Z","spacegroup":225},{"id":"mp-569321","created_at":"2022-09-04T14:45:37.213820Z","structure_string":"Mn2 Ru1 C6 N6\n1.0\n3.039767 -5.265031 0.000000\n3.039767 5.265031 0.000000\n0.000000 0.000000 6.779421\nMn Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.000000 0.745358 0.812003 C\n0.000000 0.254642 0.187997 C\n0.254642 0.254642 0.812003 C\n0.745358 0.000000 0.812003 C\n0.254642 0.000000 0.187997 C\n0.745358 0.745358 0.187997 C\n0.384218 0.000000 0.318917 N\n0.615782 0.615782 0.318917 N\n0.384218 0.384218 0.681083 N\n0.000000 0.384218 0.318917 N\n0.000000 0.615782 0.681083 N\n0.615782 0.000000 0.681083 N\n","nsites":15,"nelements":4,"elements":["Mn","Ru","C","N"],"chemical_system":"C-Mn-N-Ru","density":2.808737011491032,"density_atomic":0.06912377223716304,"volume":217.00204596090526,"volume_molar":8.712112439897073,"formula_full":"Mn2 Ru1 C6 N6","formula_reduced":"Mn2Ru(CN)6","formula_anonymous":"AB2C6D6","energy":-132.69332133999998,"energy_per_atom":-8.846221422666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.52732134,"band_gap":1.8596,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9973604,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.895000Z","spacegroup":162},{"id":"mp-571097","created_at":"2022-09-04T14:45:33.700859Z","structure_string":"Si2 H34 C22 N2\n1.0\n7.667393 0.000000 0.000000\n-2.952665 8.020088 0.000000\n-0.488708 -3.056422 9.927788\nSi H C N\n2 34 22 2\ndirect\n0.331557 0.425688 0.437499 Si\n0.668443 0.574312 0.562501 Si\n0.331122 0.347484 0.898244 H\n0.294352 0.646538 0.330798 H\n0.014528 0.851215 0.042790 H\n0.720140 0.998841 0.136447 H\n0.696443 0.149344 0.454626 H\n0.755432 0.993558 0.889538 H\n0.303557 0.850656 0.545374 H\n0.923097 0.478355 0.627983 H\n0.900666 0.875469 0.672033 H\n0.838468 0.571152 0.770790 H\n0.777678 0.866067 0.518403 H\n0.099334 0.124531 0.327967 H\n0.668878 0.652516 0.101756 H\n0.076903 0.521645 0.372017 H\n0.959751 0.781995 0.516003 H\n0.424868 0.040990 0.681148 H\n0.781437 0.730940 0.271423 H\n0.161532 0.428848 0.229210 H\n0.543624 0.905301 0.600935 H\n0.165736 0.803696 0.148090 H\n0.785001 0.444354 0.998212 H\n0.705648 0.353462 0.669202 H\n0.222322 0.133933 0.481597 H\n0.575132 0.959010 0.318852 H\n0.040249 0.218005 0.483997 H\n0.533932 0.631543 0.234927 H\n0.466068 0.368457 0.765073 H\n0.985472 0.148785 0.957210 H\n0.244568 0.006442 0.110462 H\n0.834264 0.196304 0.851910 H\n0.218563 0.269060 0.728577 H\n0.279860 0.001159 0.863553 H\n0.214999 0.555646 0.001788 H\n0.456376 0.094699 0.399065 H\n0.410893 0.905240 0.635715 C\n0.677315 0.449832 0.185937 C\n0.745419 0.374056 0.072994 C\n0.206357 0.515530 0.333346 C\n0.793643 0.484470 0.666654 C\n0.322685 0.550168 0.814063 C\n0.335820 0.375066 0.800760 C\n0.236039 0.787083 0.947127 C\n0.763961 0.212917 0.052873 C\n0.161633 0.866064 0.068596 C\n0.625001 0.361511 0.284424 C\n0.254581 0.625944 0.927006 C\n0.838367 0.133936 0.931404 C\n0.357879 0.802948 0.735220 C\n0.158919 0.204786 0.432544 C\n0.664180 0.624934 0.199240 C\n0.642121 0.197052 0.264780 C\n0.289371 0.873199 0.849690 C\n0.841081 0.795214 0.567456 C\n0.589107 0.094760 0.364285 C\n0.374999 0.638489 0.715576 C\n0.710629 0.126801 0.150310 C\n0.556500 0.435666 0.400648 N\n0.443500 0.564334 0.599352 N\n","nsites":60,"nelements":4,"elements":["Si","H","C","N"],"chemical_system":"C-H-N-Si","density":1.040918163481442,"density_atomic":0.09828152761065068,"volume":610.4911213600006,"volume_molar":6.127439109266944,"formula_full":"Si2 H34 C22 N2","formula_reduced":"SiH17C11N","formula_anonymous":"ABC11D17","energy":-355.41203457999995,"energy_per_atom":-5.9235339096666655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.69003458,"band_gap":3.8778,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009938,"is_theoretical":false,"updated_at":"2021-11-28T01:37:01.856000Z","spacegroup":2},{"id":"mp-1203361","created_at":"2022-09-04T14:45:23.891145Z","structure_string":"Eu4 H32 S6 O40\n1.0\n3.504588 7.002769 0.000000\n-3.504588 7.002769 0.000000\n0.000000 4.146412 18.441530\nEu H S O\n4 32 6 40\ndirect\n0.304367 0.356954 0.393721 Eu\n0.643046 0.695633 0.106279 Eu\n0.695633 0.643046 0.606279 Eu\n0.356954 0.304367 0.893721 Eu\n0.032756 0.205244 0.486163 H\n0.794756 0.967244 0.013837 H\n0.967244 0.794756 0.513837 H\n0.205244 0.032756 0.986163 H\n0.276962 0.007945 0.484636 H\n0.992055 0.723038 0.015364 H\n0.723038 0.992055 0.515364 H\n0.007945 0.276962 0.984636 H\n0.653063 0.445467 0.353963 H\n0.554533 0.346937 0.146037 H\n0.346937 0.554533 0.646037 H\n0.445467 0.653063 0.853963 H\n0.784643 0.196805 0.345067 H\n0.803195 0.215357 0.154933 H\n0.215357 0.803195 0.654933 H\n0.196805 0.784643 0.845067 H\n0.175063 0.810943 0.396594 H\n0.189057 0.824937 0.103406 H\n0.824937 0.189057 0.603406 H\n0.810943 0.175063 0.896594 H\n0.338317 0.681352 0.455737 H\n0.318648 0.661683 0.044263 H\n0.661683 0.318648 0.544263 H\n0.681352 0.338317 0.955737 H\n0.242192 0.296566 0.246999 H\n0.703434 0.757808 0.253001 H\n0.757808 0.703434 0.753001 H\n0.296566 0.242192 0.746999 H\n0.218900 0.128435 0.302641 H\n0.871565 0.781100 0.197359 H\n0.781100 0.871565 0.697359 H\n0.128435 0.218900 0.802641 H\n0.313850 0.253347 0.588971 S\n0.746653 0.686150 0.911029 S\n0.686150 0.746653 0.411029 S\n0.253347 0.313850 0.088971 S\n0.175811 0.824189 0.250000 S\n0.824189 0.175811 0.750000 S\n0.171258 0.138109 0.456019 O\n0.861891 0.828742 0.043981 O\n0.828742 0.861891 0.543981 O\n0.138109 0.171258 0.956019 O\n0.643927 0.322588 0.361419 O\n0.677412 0.356073 0.138581 O\n0.356073 0.677412 0.638581 O\n0.322588 0.643927 0.861419 O\n0.219031 0.697841 0.437962 O\n0.302159 0.780969 0.062038 O\n0.780969 0.302159 0.562038 O\n0.697841 0.219031 0.937962 O\n0.247963 0.236331 0.298096 O\n0.763669 0.752037 0.201904 O\n0.752037 0.763669 0.701904 O\n0.236331 0.247963 0.798096 O\n0.622771 0.970210 0.398030 O\n0.029790 0.377229 0.101970 O\n0.377229 0.029790 0.601970 O\n0.970210 0.622771 0.898030 O\n0.368339 0.305946 0.648204 O\n0.694054 0.631661 0.851796 O\n0.631661 0.694054 0.351796 O\n0.305946 0.368339 0.148204 O\n0.430761 0.276738 0.518060 O\n0.723262 0.569239 0.981940 O\n0.569239 0.723262 0.481940 O\n0.276738 0.430761 0.018060 O\n0.920159 0.597127 0.418484 O\n0.402873 0.079841 0.081516 O\n0.079841 0.402873 0.581516 O\n0.597127 0.920159 0.918484 O\n0.218572 0.617454 0.287271 O\n0.382546 0.781428 0.212729 O\n0.781428 0.382546 0.712729 O\n0.617454 0.218572 0.787271 O\n0.089637 0.977065 0.305370 O\n0.022935 0.910363 0.194630 O\n0.910363 0.022935 0.694630 O\n0.977065 0.089637 0.805370 O\n","nsites":82,"nelements":4,"elements":["Eu","H","S","O"],"chemical_system":"Eu-H-O-S","density":2.7012428528056356,"density_atomic":0.09058997445698484,"volume":905.1774270996881,"volume_molar":6.647690096059708,"formula_full":"Eu4 H32 S6 O40","formula_reduced":"Eu2H16S3O20","formula_anonymous":"A2B3C16D20","energy":-514.17104552,"energy_per_atom":-6.270378603902439,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-486.6910455200001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000004,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.965000Z","spacegroup":15},{"id":"mp-558393","created_at":"2022-09-04T14:45:33.730528Z","structure_string":"Rb4 Nb6 Cl14 O10\n1.0\n4.518366 8.641467 0.000000\n-4.518366 8.641467 0.000000\n0.000000 4.087149 10.560734\nRb Nb Cl O\n4 6 14 10\ndirect\n0.837672 0.757727 0.856074 Rb\n0.162328 0.242273 0.143926 Rb\n0.242273 0.162328 0.643926 Rb\n0.757727 0.837672 0.356074 Rb\n0.465267 0.534733 0.750000 Nb\n0.213886 0.791102 0.026430 Nb\n0.208898 0.786114 0.473570 Nb\n0.791102 0.213886 0.526430 Nb\n0.534733 0.465267 0.250000 Nb\n0.786114 0.208898 0.973570 Nb\n0.938253 0.360130 0.875041 Cl\n0.061747 0.639870 0.124959 Cl\n0.578161 0.719194 0.669124 Cl\n0.092998 0.907002 0.250000 Cl\n0.362560 0.943371 0.957821 Cl\n0.056629 0.637440 0.542179 Cl\n0.943371 0.362560 0.457821 Cl\n0.719194 0.578161 0.169124 Cl\n0.421839 0.280806 0.330876 Cl\n0.360130 0.938253 0.375041 Cl\n0.907002 0.092998 0.750000 Cl\n0.639870 0.061747 0.624959 Cl\n0.280806 0.421839 0.830876 Cl\n0.637440 0.056629 0.042179 Cl\n0.713456 0.289084 0.379128 O\n0.600898 0.396132 0.874359 O\n0.399102 0.603868 0.125641 O\n0.710916 0.286544 0.120872 O\n0.289084 0.713456 0.879129 O\n0.000000 0.000000 0.000000 O\n0.286544 0.710916 0.620872 O\n0.396132 0.600898 0.374359 O\n0.603868 0.399102 0.625641 O\n0.000000 0.000000 0.500000 O\n","nsites":34,"nelements":4,"elements":["Rb","Nb","Cl","O"],"chemical_system":"Cl-Nb-O-Rb","density":3.132324493487547,"density_atomic":0.04122739882984649,"volume":824.6942801393953,"volume_molar":14.607132467547975,"formula_full":"Rb4 Nb6 Cl14 O10","formula_reduced":"Rb2Nb3Cl7O5","formula_anonymous":"A2B3C5D7","energy":-223.56252452,"energy_per_atom":-6.575368368235295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.09652452,"band_gap":2.2762,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001508,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.012000Z","spacegroup":15},{"id":"mp-1213801","created_at":"2022-09-04T14:45:33.473141Z","structure_string":"Cs8 Mn8 Mo12 O48\n1.0\n11.272901 0.000000 0.000000\n0.000000 11.272901 0.000000\n0.000000 0.000000 11.272901\nCs Mn Mo O\n8 8 12 48\ndirect\n0.049785 0.049785 0.049785 Cs\n0.450215 0.950215 0.549785 Cs\n0.950215 0.549785 0.450215 Cs\n0.549785 0.450215 0.950215 Cs\n0.817923 0.817923 0.817923 Cs\n0.682077 0.182077 0.317923 Cs\n0.182077 0.317923 0.682077 Cs\n0.317923 0.682077 0.182077 Cs\n0.335474 0.335474 0.335474 Mn\n0.164526 0.664526 0.835474 Mn\n0.664526 0.835474 0.164526 Mn\n0.835474 0.164526 0.664526 Mn\n0.600845 0.600845 0.600845 Mn\n0.899155 0.399155 0.100845 Mn\n0.399155 0.100845 0.899155 Mn\n0.100845 0.899155 0.399155 Mn\n0.019975 0.214405 0.375999 Mo\n0.480025 0.785595 0.875999 Mo\n0.980025 0.714405 0.124001 Mo\n0.375999 0.019975 0.214405 Mo\n0.519975 0.285595 0.624001 Mo\n0.875999 0.480025 0.785595 Mo\n0.124001 0.980025 0.714405 Mo\n0.624001 0.519975 0.285595 Mo\n0.214405 0.375999 0.019975 Mo\n0.714405 0.124001 0.980025 Mo\n0.285595 0.624001 0.519975 Mo\n0.785595 0.875999 0.480025 Mo\n0.014205 0.061262 0.329767 O\n0.485795 0.938738 0.829767 O\n0.985795 0.561262 0.170233 O\n0.329767 0.014205 0.061262 O\n0.514205 0.438738 0.670233 O\n0.829767 0.485795 0.938738 O\n0.170233 0.985795 0.561262 O\n0.670233 0.514205 0.438738 O\n0.061262 0.329767 0.014205 O\n0.561262 0.170233 0.985795 O\n0.438738 0.670233 0.514205 O\n0.938738 0.829767 0.485795 O\n0.267773 0.489286 0.435754 O\n0.232227 0.510714 0.935754 O\n0.732227 0.989286 0.064246 O\n0.435754 0.267773 0.489286 O\n0.767773 0.010714 0.564246 O\n0.935754 0.232227 0.510714 O\n0.064246 0.732227 0.989286 O\n0.564246 0.767773 0.010714 O\n0.489286 0.435754 0.267773 O\n0.989286 0.064246 0.732227 O\n0.010714 0.564246 0.767773 O\n0.510714 0.935754 0.232227 O\n0.046988 0.807838 0.235111 O\n0.453012 0.192162 0.735111 O\n0.953012 0.307838 0.264889 O\n0.235111 0.046988 0.807838 O\n0.546988 0.692162 0.764889 O\n0.735111 0.453012 0.192162 O\n0.264889 0.953012 0.307838 O\n0.764889 0.546988 0.692162 O\n0.807838 0.235111 0.046988 O\n0.307838 0.264889 0.953012 O\n0.692162 0.764889 0.546988 O\n0.192162 0.735111 0.453012 O\n0.170548 0.259213 0.401292 O\n0.329452 0.740787 0.901292 O\n0.829452 0.759213 0.098708 O\n0.401292 0.170548 0.259213 O\n0.670548 0.240787 0.598708 O\n0.901292 0.329452 0.740787 O\n0.098708 0.829452 0.759213 O\n0.598708 0.670548 0.240787 O\n0.259213 0.401292 0.170548 O\n0.759213 0.098708 0.829452 O\n0.240787 0.598708 0.670548 O\n0.740787 0.901292 0.329452 O\n","nsites":76,"nelements":4,"elements":["Cs","Mn","Mo","O"],"chemical_system":"Cs-Mn-Mo-O","density":3.9666320719595527,"density_atomic":0.05305258053538442,"volume":1432.5410608313457,"volume_molar":11.3512683063238,"formula_full":"Cs8 Mn8 Mo12 O48","formula_reduced":"Cs2Mn2(MoO4)3","formula_anonymous":"A2B2C3D12","energy":-610.8229854600002,"energy_per_atom":-8.037144545526317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-526.07898546,"band_gap":3.303,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.399000Z","spacegroup":198},{"id":"mp-23742","created_at":"2022-09-04T14:45:33.687733Z","structure_string":"Cs4 B20 H32 O48\n1.0\n7.246152 0.000000 0.000000\n0.000000 11.695892 0.000000\n0.000000 0.509169 14.071859\nCs B H O\n4 20 32 48\ndirect\n0.734724 0.253370 0.085162 Cs\n0.234724 0.746630 0.414838 Cs\n0.265276 0.746630 0.914838 Cs\n0.765276 0.253370 0.585162 Cs\n0.863130 0.933747 0.235339 B\n0.363130 0.066253 0.264661 B\n0.136870 0.066253 0.764661 B\n0.636870 0.933747 0.735339 B\n0.815075 0.943936 0.066074 B\n0.315075 0.056064 0.433926 B\n0.184925 0.056064 0.933926 B\n0.684925 0.943936 0.566074 B\n0.032207 0.571718 0.129724 B\n0.532207 0.428282 0.370276 B\n0.967793 0.428282 0.870276 B\n0.467793 0.571718 0.629724 B\n0.702581 0.556367 0.146603 B\n0.202581 0.443633 0.353397 B\n0.297419 0.443633 0.853397 B\n0.797419 0.556367 0.646603 B\n0.847282 0.751073 0.148670 B\n0.347282 0.248927 0.351330 B\n0.152718 0.248927 0.851330 B\n0.652718 0.751073 0.648670 B\n0.747041 0.747181 0.344432 H\n0.247041 0.252819 0.155568 H\n0.252959 0.252819 0.655568 H\n0.752959 0.747181 0.844432 H\n0.699612 0.752268 0.455940 H\n0.199612 0.247732 0.044060 H\n0.300388 0.247732 0.544060 H\n0.800388 0.752268 0.955940 H\n0.967413 0.260340 0.318367 H\n0.467413 0.739660 0.181633 H\n0.032587 0.739660 0.681633 H\n0.532587 0.260340 0.818367 H\n0.746212 0.251062 0.329345 H\n0.246212 0.748938 0.170655 H\n0.253788 0.748938 0.670655 H\n0.753788 0.251062 0.829345 H\n0.874838 0.075343 0.311210 H\n0.374838 0.924657 0.188790 H\n0.125162 0.924657 0.688790 H\n0.625162 0.075343 0.811210 H\n0.728183 0.984043 0.930959 H\n0.228183 0.015957 0.569041 H\n0.271817 0.015957 0.069041 H\n0.771817 0.984043 0.430959 H\n0.189037 0.434290 0.106235 H\n0.689037 0.565710 0.393765 H\n0.810963 0.565710 0.893765 H\n0.310963 0.434290 0.606235 H\n0.430764 0.515972 0.143023 H\n0.930764 0.484028 0.356977 H\n0.569236 0.484028 0.856977 H\n0.069236 0.515972 0.643023 H\n0.686265 0.706146 0.398477 O\n0.186265 0.293854 0.101523 O\n0.313735 0.293854 0.601523 O\n0.813735 0.706146 0.898477 O\n0.856869 0.215329 0.301665 O\n0.356869 0.784671 0.198335 O\n0.143131 0.784671 0.698335 O\n0.643131 0.215329 0.801665 O\n0.878050 0.989074 0.319435 O\n0.378050 0.010926 0.180565 O\n0.121950 0.010926 0.680565 O\n0.621950 0.989074 0.819435 O\n0.773941 0.016070 0.990665 O\n0.273941 0.983930 0.509335 O\n0.226059 0.983930 0.009335 O\n0.726059 0.016070 0.490665 O\n0.198919 0.519693 0.113686 O\n0.698919 0.480307 0.386314 O\n0.801081 0.480307 0.886314 O\n0.301081 0.519693 0.613686 O\n0.556305 0.482845 0.146984 O\n0.056305 0.517155 0.353016 O\n0.443695 0.517155 0.853016 O\n0.943695 0.482845 0.646984 O\n0.852152 0.998142 0.150762 O\n0.352152 0.001858 0.349238 O\n0.147848 0.001858 0.849238 O\n0.647848 0.998142 0.650762 O\n0.874103 0.504860 0.134429 O\n0.374103 0.495140 0.365571 O\n0.125897 0.495140 0.865571 O\n0.625897 0.504860 0.634429 O\n0.857587 0.816562 0.236730 O\n0.357587 0.183438 0.263270 O\n0.142413 0.183438 0.763270 O\n0.642413 0.816562 0.736730 O\n0.816486 0.827003 0.063113 O\n0.316486 0.172997 0.436887 O\n0.183514 0.172997 0.936887 O\n0.683514 0.827003 0.563113 O\n0.024343 0.688153 0.136454 O\n0.524343 0.311847 0.363546 O\n0.975657 0.311847 0.863546 O\n0.475657 0.688153 0.636454 O\n0.687610 0.671899 0.156676 O\n0.187610 0.328101 0.343324 O\n0.312390 0.328101 0.843324 O\n0.812390 0.671899 0.656676 O\n","nsites":104,"nelements":4,"elements":["Cs","B","H","O"],"chemical_system":"B-Cs-H-O","density":2.1554929708107644,"density_atomic":0.08720493752053073,"volume":1192.593022333342,"volume_molar":6.905733701812702,"formula_full":"Cs4 B20 H32 O48","formula_reduced":"CsB5(H2O3)4","formula_anonymous":"AB5C8D12","energy":-704.53077014,"energy_per_atom":-6.77433432826923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-671.55477014,"band_gap":5.6249,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014238,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.021000Z","spacegroup":14},{"id":"mp-1175622","created_at":"2022-09-04T14:45:23.879960Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.138081 0.000000 0.000000\n-1.736415 -5.552347 0.000000\n-1.691866 0.399850 -9.937605\nLi Mn Co O\n9 2 5 16\ndirect\n0.498257 0.870358 0.127895 Li\n0.499610 0.128465 0.376721 Li\n0.501520 0.368601 0.625409 Li\n0.497493 0.613782 0.870398 Li\n0.497027 0.378025 0.125427 Li\n0.501508 0.623095 0.378341 Li\n0.500784 0.880517 0.625723 Li\n0.506170 0.137957 0.867802 Li\n0.000005 0.255122 0.750794 Li\n0.001745 0.003735 0.995862 Mn\n0.996252 0.745455 0.751015 Mn\n0.001668 0.250188 0.251071 Co\n0.998502 0.492841 0.507713 Co\n0.999775 0.496198 0.997085 Co\n0.001532 0.745002 0.253099 Co\n0.004664 0.010066 0.507524 Co\n0.785544 0.693830 0.060537 O\n0.773083 0.948500 0.314406 O\n0.761104 0.197978 0.554979 O\n0.775262 0.456560 0.819311 O\n0.778806 0.187361 0.053731 O\n0.764125 0.441519 0.309364 O\n0.767099 0.694154 0.576290 O\n0.779989 0.931323 0.820915 O\n0.227500 0.050584 0.177124 O\n0.236162 0.314439 0.436333 O\n0.228314 0.579283 0.690669 O\n0.218069 0.806713 0.934651 O\n0.222699 0.547424 0.178305 O\n0.223961 0.801204 0.433263 O\n0.227045 0.044110 0.683036 O\n0.224726 0.305614 0.945204 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.234761907512416,"density_atomic":0.11287316459725927,"volume":283.504056204844,"volume_molar":5.335316664051631,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-209.4141114,"energy_per_atom":-6.54419098125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.8961114,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000133,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.413000Z","spacegroup":1}]}