{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12115","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=12113","results":[{"id":"mp-1074924","created_at":"2022-09-04T14:46:01.135572Z","structure_string":"Mg6 Si8\n1.0\n4.064866 0.000000 0.000000\n0.000000 7.512604 0.000000\n0.000000 2.121642 8.635399\nMg Si\n6 8\ndirect\n0.000000 0.659387 0.661866 Mg\n0.500000 0.106427 0.970674 Mg\n0.500000 0.376081 0.220637 Mg\n0.000000 0.761721 0.084351 Mg\n0.500000 0.960166 0.468299 Mg\n0.500000 0.322799 0.617009 Mg\n0.000000 0.196142 0.435247 Si\n0.000000 0.520668 0.414673 Si\n0.500000 0.494043 0.851624 Si\n0.000000 0.429004 0.002064 Si\n0.000000 0.118135 0.174764 Si\n0.500000 0.836952 0.809192 Si\n0.500000 0.693546 0.321546 Si\n0.000000 0.025057 0.721322 Si\n","nsites":14,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.3331065902341157,"density_atomic":0.053089531890996175,"volume":263.7054707648375,"volume_molar":11.34336760091369,"formula_full":"Mg6 Si8","formula_reduced":"Mg3Si4","formula_anonymous":"A3B4","energy":-50.89343494,"energy_per_atom":-3.635245352857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.46143494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0061229,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.800000Z","spacegroup":6},{"id":"mp-1215983","created_at":"2022-09-04T14:46:01.157967Z","structure_string":"Y1 Th1 Co10\n1.0\n3.977441 0.000000 0.000000\n0.000000 4.913511 0.000000\n0.000000 0.000000 8.525166\nY Th Co\n1 1 10\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.332359 Co\n0.000000 0.500000 0.834481 Co\n0.000000 0.500000 0.165519 Co\n0.000000 0.000000 0.667641 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.252353 0.252949 Co\n0.500000 0.747647 0.747051 Co\n0.500000 0.747647 0.252949 Co\n0.500000 0.252353 0.747051 Co\n","nsites":12,"nelements":3,"elements":["Y","Th","Co"],"chemical_system":"Co-Th-Y","density":9.072429457431115,"density_atomic":0.07202490978508619,"volume":166.60902506933476,"volume_molar":8.361191673782523,"formula_full":"Y1 Th1 Co10","formula_reduced":"YThCo10","formula_anonymous":"ABC10","energy":-86.44763095,"energy_per_atom":-7.203969245833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.44763095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.1315658,"is_theoretical":true,"updated_at":"2021-11-28T01:37:15.735000Z","spacegroup":47},{"id":"mp-726705","created_at":"2022-09-04T14:46:01.181851Z","structure_string":"Sr4 O8\n1.0\n4.724219 0.000000 0.000000\n0.000000 4.946967 0.000000\n0.000000 0.000000 8.511161\nSr O\n4 8\ndirect\n0.890965 0.750000 0.146578 Sr\n0.609035 0.750000 0.646578 Sr\n0.109035 0.250000 0.853422 Sr\n0.390965 0.250000 0.353422 Sr\n0.534430 0.750000 0.355374 O\n0.965570 0.750000 0.855374 O\n0.465570 0.250000 0.644626 O\n0.034430 0.250000 0.144626 O\n0.222872 0.750000 0.395499 O\n0.277128 0.750000 0.895499 O\n0.777128 0.250000 0.604501 O\n0.722872 0.250000 0.104501 O\n","nsites":12,"nelements":2,"elements":["Sr","O"],"chemical_system":"O-Sr","density":3.9943920530620445,"density_atomic":0.06032862192852087,"volume":198.91056046693646,"volume_molar":9.982228281519857,"formula_full":"Sr4 O8","formula_reduced":"SrO2","formula_anonymous":"AB2","energy":-72.69192167,"energy_per_atom":-6.057660139166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.97192167,"band_gap":2.7825,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003515,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.983000Z","spacegroup":62},{"id":"mp-1399418","created_at":"2022-09-04T14:46:01.192404Z","structure_string":"Cr4 Se8\n1.0\n0.000000 5.025816 5.025816\n5.025816 0.000000 5.025816\n5.025816 5.025816 0.000000\nCr Se\n4 8\ndirect\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.375273 0.375273 0.375273 Se\n0.375818 0.874727 0.874727 Se\n0.874727 0.375818 0.874727 Se\n0.874727 0.874727 0.375818 Se\n0.375273 0.874182 0.375273 Se\n0.375273 0.375273 0.874182 Se\n0.874182 0.375273 0.375273 Se\n0.874727 0.874727 0.874727 Se\n","nsites":12,"nelements":2,"elements":["Cr","Se"],"chemical_system":"Cr-Se","density":5.491678298140968,"density_atomic":0.047264111325626315,"volume":253.89242838664507,"volume_molar":12.741466180354971,"formula_full":"Cr4 Se8","formula_reduced":"CrSe2","formula_anonymous":"AB2","energy":-75.48213238999999,"energy_per_atom":-6.290177699166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.70613239,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.6614676,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.390000Z","spacegroup":227},{"id":"mp-1205640","created_at":"2022-09-04T14:46:01.238058Z","structure_string":"Tb2 P2 Os4 C2\n1.0\n1.921340 -5.562801 0.000000\n1.921340 5.562801 0.000000\n0.000000 0.000000 7.048038\nTb P Os C\n2 2 4 2\ndirect\n0.544556 0.455444 0.250000 Tb\n0.455444 0.544556 0.750000 Tb\n0.268404 0.731596 0.250000 P\n0.731596 0.268404 0.750000 P\n0.834065 0.165935 0.052332 Os\n0.165935 0.834065 0.947668 Os\n0.165935 0.834065 0.552332 Os\n0.834065 0.165935 0.447668 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Tb","P","Os","C"],"chemical_system":"C-Os-P-Tb","density":12.837544638344486,"density_atomic":0.06637492127735005,"volume":150.65931239623822,"volume_molar":9.072915860549594,"formula_full":"Tb2 P2 Os4 C2","formula_reduced":"TbPOs2C","formula_anonymous":"ABCD2","energy":-88.37217025,"energy_per_atom":-8.837217025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.37217025,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0049289,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.977000Z","spacegroup":63},{"id":"mp-831248","created_at":"2022-09-04T14:46:01.241534Z","structure_string":"Li9 Mn7 V12 O48\n1.0\n5.029336 0.000000 0.000000\n-0.007887 10.200096 0.000000\n-0.172538 -0.009108 17.151331\nLi Mn V O\n9 7 12 48\ndirect\n0.097351 0.749467 0.749333 Li\n0.247777 0.582529 0.032310 Li\n0.257145 0.420444 0.527940 Li\n0.258650 0.079409 0.527531 Li\n0.244934 0.744647 0.195797 Li\n0.748520 0.246712 0.808235 Li\n0.753889 0.081296 0.970624 Li\n0.752606 0.747300 0.299094 Li\n0.902167 0.249811 0.251475 Li\n0.203615 0.248562 0.699614 Mn\n0.237851 0.934725 0.025432 Mn\n0.403966 0.250675 0.249469 Mn\n0.597262 0.750341 0.751509 Mn\n0.760016 0.932118 0.472486 Mn\n0.758224 0.567417 0.472667 Mn\n0.763980 0.433417 0.977468 Mn\n0.225339 0.252868 0.056430 V\n0.225296 0.971467 0.344963 V\n0.224104 0.528473 0.345205 V\n0.288674 0.475083 0.846906 V\n0.285747 0.024410 0.842845 V\n0.287659 0.749727 0.556211 V\n0.712394 0.249597 0.441002 V\n0.716442 0.524926 0.158104 V\n0.713071 0.975252 0.153654 V\n0.773380 0.472209 0.656513 V\n0.775446 0.027023 0.656051 V\n0.772997 0.752497 0.944327 V\n0.062984 0.766391 0.004770 O\n0.065935 0.385136 0.631297 O\n0.066360 0.115773 0.629752 O\n0.105161 0.373893 0.787228 O\n0.086638 0.124520 0.783496 O\n0.079157 0.880939 0.534135 O\n0.078211 0.619088 0.533996 O\n0.087047 0.988751 0.926266 O\n0.069868 0.506555 0.925177 O\n0.172705 0.252650 0.157264 O\n0.175666 0.376070 0.296181 O\n0.173246 0.121878 0.295343 O\n0.364554 0.877010 0.792278 O\n0.365084 0.620205 0.796252 O\n0.368023 0.748534 0.655363 O\n0.438453 0.501704 0.427264 O\n0.441519 0.997205 0.426678 O\n0.400472 0.108548 0.033837 O\n0.447802 0.375969 0.032418 O\n0.396621 0.874288 0.287657 O\n0.406213 0.625960 0.291425 O\n0.419602 0.888977 0.119683 O\n0.447946 0.612455 0.129538 O\n0.449639 0.249881 0.500300 O\n0.583428 0.749753 0.491315 O\n0.576023 0.390286 0.879228 O\n0.556602 0.108874 0.870519 O\n0.570705 0.373936 0.708391 O\n0.567765 0.124856 0.705589 O\n0.554649 0.876325 0.967666 O\n0.599834 0.607824 0.965927 O\n0.596959 0.984484 0.570325 O\n0.595511 0.514748 0.570762 O\n0.627502 0.248229 0.341689 O\n0.633999 0.375832 0.207871 O\n0.633187 0.121095 0.203719 O\n0.828090 0.877557 0.707619 O\n0.828573 0.620127 0.708787 O\n0.824808 0.753027 0.842173 O\n0.919840 0.487370 0.071679 O\n0.931752 0.008304 0.072898 O\n0.908106 0.394129 0.462519 O\n0.909204 0.105631 0.462714 O\n0.890944 0.879443 0.211843 O\n0.917623 0.617753 0.214649 O\n0.926160 0.887840 0.378300 O\n0.925189 0.612131 0.378982 O\n0.936142 0.265668 0.994047 O\n","nsites":76,"nelements":4,"elements":["Li","Mn","V","O"],"chemical_system":"Li-Mn-O-V","density":3.446748154330071,"density_atomic":0.0863775444544769,"volume":879.858306692822,"volume_molar":6.9718823312624005,"formula_full":"Li9 Mn7 V12 O48","formula_reduced":"Li9Mn7V12O48","formula_anonymous":"A7B9C12D48","energy":-596.09836061,"energy_per_atom":-7.843399481710526,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-531.04636061,"band_gap":0.3764999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9992116,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.919000Z","spacegroup":1},{"id":"mp-555005","created_at":"2022-09-04T14:46:01.257027Z","structure_string":"Na6 Mg4 P10 O32\n1.0\n6.943191 0.000000 0.000000\n0.000000 5.240447 0.000000\n0.000000 0.076739 18.840720\nNa Mg P O\n6 4 10 32\ndirect\n0.648125 0.747739 0.032360 Na\n0.034224 0.500000 0.750000 Na\n0.351875 0.252261 0.967640 Na\n0.351875 0.747739 0.532360 Na\n0.965776 0.500000 0.250000 Na\n0.648125 0.252261 0.467640 Na\n0.177862 0.731368 0.091979 Mg\n0.177862 0.268632 0.408021 Mg\n0.822138 0.268632 0.908021 Mg\n0.822138 0.731368 0.591979 Mg\n0.740566 0.000000 0.750000 P\n0.259434 0.000000 0.250000 P\n0.474382 0.242162 0.130019 P\n0.474382 0.757838 0.369981 P\n0.877700 0.771754 0.417049 P\n0.525618 0.757838 0.869981 P\n0.122300 0.771754 0.917049 P\n0.122300 0.228246 0.582951 P\n0.525618 0.242162 0.630019 P\n0.877700 0.228246 0.082951 P\n0.398622 0.036631 0.081020 O\n0.601378 0.963369 0.918980 O\n0.601378 0.036631 0.581020 O\n0.700431 0.786650 0.356277 O\n0.398622 0.963369 0.418980 O\n0.595858 0.807767 0.789789 O\n0.430653 0.513805 0.109314 O\n0.978206 0.596096 0.880931 O\n0.148901 0.161977 0.301211 O\n0.217111 0.339895 0.516170 O\n0.978206 0.403904 0.619069 O\n0.021794 0.596096 0.380931 O\n0.936916 0.048885 0.425745 O\n0.851099 0.161977 0.801211 O\n0.217111 0.660105 0.983830 O\n0.430653 0.486195 0.390686 O\n0.404142 0.192233 0.210211 O\n0.936916 0.951115 0.074255 O\n0.063084 0.951115 0.574255 O\n0.595858 0.192233 0.710211 O\n0.782889 0.339895 0.016170 O\n0.148901 0.838023 0.198789 O\n0.299569 0.786650 0.856277 O\n0.021794 0.403904 0.119069 O\n0.063084 0.048885 0.925745 O\n0.569347 0.486195 0.890686 O\n0.299569 0.213350 0.643723 O\n0.569347 0.513805 0.609314 O\n0.782889 0.660105 0.483830 O\n0.700431 0.213350 0.143723 O\n0.404142 0.807767 0.289789 O\n0.851099 0.838023 0.698789 O\n","nsites":52,"nelements":4,"elements":["Na","Mg","P","O"],"chemical_system":"Mg-Na-O-P","density":2.560051005249772,"density_atomic":0.07585398523620167,"volume":685.527594075344,"volume_molar":7.93912243535743,"formula_full":"Na6 Mg4 P10 O32","formula_reduced":"Na3Mg2P5O16","formula_anonymous":"A2B3C5D16","energy":-372.30418909,"energy_per_atom":-7.159695944038462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.32018909,"band_gap":4.8098,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009873,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.060000Z","spacegroup":13},{"id":"mp-1095094","created_at":"2022-09-04T14:46:01.259775Z","structure_string":"Sn2 I6\n1.0\n-4.138293 4.138293 5.961964\n4.138293 -4.138293 5.961964\n4.138293 4.138293 -5.961964\nSn I\n2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.324045 0.175955 0.500000 I\n0.675955 0.824045 0.500000 I\n0.824045 0.324045 0.148089 I\n0.175955 0.675955 0.851911 I\n0.750000 0.750000 0.000000 I\n0.250000 0.250000 0.000000 I\n","nsites":8,"nelements":2,"elements":["Sn","I"],"chemical_system":"I-Sn","density":4.061216811885222,"density_atomic":0.01958836435520965,"volume":408.4057175438616,"volume_molar":30.743458977974203,"formula_full":"Sn2 I6","formula_reduced":"SnI3","formula_anonymous":"AB3","energy":-21.63182043,"energy_per_atom":-2.70397755375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.35782043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003179,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.496000Z","spacegroup":140},{"id":"mp-762439","created_at":"2022-09-04T14:46:01.259066Z","structure_string":"Li14 Cu9 P16 O56\n1.0\n9.488725 0.000000 0.000000\n2.957235 10.668156 0.000000\n4.661174 4.324372 10.641248\nLi Cu P O\n14 9 16 56\ndirect\n0.929730 0.873965 0.586261 Li\n0.643261 0.971282 0.411079 Li\n0.039116 0.627201 0.918303 Li\n0.425496 0.882459 0.079253 Li\n0.529595 0.631783 0.428966 Li\n0.346754 0.485625 0.826372 Li\n0.851224 0.493215 0.320163 Li\n0.148776 0.506785 0.679837 Li\n0.653246 0.514375 0.173628 Li\n0.470405 0.368217 0.571034 Li\n0.574504 0.117541 0.920747 Li\n0.960884 0.372799 0.081697 Li\n0.356739 0.028718 0.588921 Li\n0.070270 0.126035 0.413739 Li\n0.700913 0.784785 0.916641 Cu\n0.569164 0.743778 0.701150 Cu\n0.198183 0.782199 0.418086 Cu\n0.000000 0.000000 0.000000 Cu\n0.923749 0.270751 0.794237 Cu\n0.076251 0.729249 0.205763 Cu\n0.801817 0.217801 0.581914 Cu\n0.430836 0.256222 0.298850 Cu\n0.299087 0.215215 0.083359 Cu\n0.980426 0.940959 0.775699 P\n0.372543 0.690241 0.993147 P\n0.475312 0.942149 0.276708 P\n0.805845 0.541479 0.869320 P\n0.240447 0.786774 0.657544 P\n0.870001 0.691908 0.491375 P\n0.742746 0.798546 0.151685 P\n0.688065 0.460015 0.630051 P\n0.311935 0.539985 0.369949 P\n0.257254 0.201454 0.848315 P\n0.129999 0.308092 0.508625 P\n0.759553 0.213226 0.342456 P\n0.194155 0.458521 0.130680 P\n0.524688 0.057851 0.723292 P\n0.627457 0.309759 0.006853 P\n0.019574 0.059041 0.224301 P\n0.582355 0.989989 0.837772 O\n0.919249 0.803536 0.861010 O\n0.536857 0.971253 0.652835 O\n0.165627 0.897266 0.727599 O\n0.744990 0.691089 0.793975 O\n0.840300 0.534967 0.983925 O\n0.726001 0.789718 0.526923 O\n0.001425 0.709055 0.525395 O\n0.404788 0.703949 0.858959 O\n0.409409 0.807294 0.606219 O\n0.660973 0.895125 0.232171 O\n0.077608 0.988231 0.338586 O\n0.161880 0.846223 0.553491 O\n0.906764 0.700327 0.358278 O\n0.414075 0.803616 0.361307 O\n0.913237 0.822418 0.100544 O\n0.938855 0.475704 0.790079 O\n0.657238 0.465784 0.919504 O\n0.199824 0.645132 0.748983 O\n0.039660 0.967356 0.154857 O\n0.664798 0.858610 0.046948 O\n0.832623 0.540301 0.583170 O\n0.552258 0.520051 0.711004 O\n0.716633 0.651898 0.235201 O\n0.494791 0.289234 0.976073 O\n0.773578 0.220635 0.961689 O\n0.245000 0.688142 0.297937 O\n0.340566 0.531298 0.487969 O\n0.659434 0.468702 0.512031 O\n0.755000 0.311858 0.702063 O\n0.226422 0.779365 0.038311 O\n0.505209 0.710766 0.023927 O\n0.283367 0.348102 0.764799 O\n0.447742 0.479949 0.288996 O\n0.167377 0.459699 0.416830 O\n0.335202 0.141390 0.953052 O\n0.960340 0.032644 0.845143 O\n0.800176 0.354868 0.251017 O\n0.342762 0.534216 0.080496 O\n0.061145 0.524296 0.209921 O\n0.086763 0.177582 0.899456 O\n0.585925 0.196384 0.638693 O\n0.093236 0.299673 0.641722 O\n0.838120 0.153777 0.446509 O\n0.922392 0.011769 0.661414 O\n0.339027 0.104875 0.767829 O\n0.590591 0.192706 0.393781 O\n0.595212 0.296051 0.141041 O\n0.998575 0.290945 0.474605 O\n0.273999 0.210282 0.473077 O\n0.159700 0.465033 0.016075 O\n0.255010 0.308911 0.206025 O\n0.834373 0.102734 0.272401 O\n0.463143 0.028747 0.347165 O\n0.080751 0.196464 0.138990 O\n0.417645 0.010011 0.162228 O\n","nsites":95,"nelements":4,"elements":["Li","Cu","P","O"],"chemical_system":"Cu-Li-O-P","density":3.1765836836357355,"density_atomic":0.0881929404255839,"volume":1077.1837240210832,"volume_molar":6.828370537301007,"formula_full":"Li14 Cu9 P16 O56","formula_reduced":"Li14Cu9(P2O7)8","formula_anonymous":"A9B14C16D56","energy":-649.40709325,"energy_per_atom":-6.835864139473684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-610.93509325,"band_gap":0.3940999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9519979,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.339000Z","spacegroup":2},{"id":"mp-36891","created_at":"2022-09-04T14:46:01.267255Z","structure_string":"Br3 N1\n1.0\n0.000000 3.463505 3.463505\n3.463505 0.000000 3.463505\n3.463505 3.463505 0.000000\nBr N\n3 1\ndirect\n0.250000 0.250000 0.250000 Br\n0.500000 0.500000 0.500000 Br\n0.750000 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["Br","N"],"chemical_system":"Br-N","density":5.070188694113458,"density_atomic":0.04813738996181758,"volume":83.09548987123704,"volume_molar":12.510318413143594,"formula_full":"Br3 N1","formula_reduced":"Br3N","formula_anonymous":"AB3","energy":-7.33957281,"energy_per_atom":-1.8348932025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.37657281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005376,"is_theoretical":true,"updated_at":"2021-11-28T01:37:18.555000Z","spacegroup":225},{"id":"mp-1233644","created_at":"2022-09-04T14:46:01.279935Z","structure_string":"Ba2 Ca1 V2 Si4 O14\n1.0\n-0.015485 0.028889 5.700650\n7.653686 -0.971862 -0.022174\n-1.074888 7.881911 -2.863625\nBa Ca V Si O\n2 1 2 4 14\ndirect\n0.846855 0.686889 0.665649 Ba\n0.195569 0.320060 0.378761 Ba\n0.219658 0.891190 0.428358 Ca\n0.068419 0.563197 0.099848 V\n0.889860 0.202576 0.746743 V\n0.411551 0.492446 0.793301 Si\n0.616975 0.511351 0.206817 Si\n0.426005 0.933582 0.815605 Si\n0.623196 0.087917 0.234531 Si\n0.126274 0.399476 0.698592 O\n0.414041 0.611625 0.292480 O\n0.145361 0.983730 0.718052 O\n0.422634 0.044751 0.318426 O\n0.511289 0.503140 0.001689 O\n0.535501 0.001839 0.024885 O\n0.014570 0.729336 0.997069 O\n0.018931 0.329948 0.010728 O\n0.398618 0.702822 0.762711 O\n0.639538 0.316158 0.255601 O\n0.600222 0.397651 0.698396 O\n0.906982 0.610824 0.289341 O\n0.606166 0.983411 0.714616 O\n0.900283 0.047935 0.339989 O\n","nsites":23,"nelements":5,"elements":["Ba","Ca","V","Si","O"],"chemical_system":"Ba-Ca-O-Si-V","density":3.693339665525914,"density_atomic":0.06794111324510298,"volume":338.52845355985954,"volume_molar":8.863765211315641,"formula_full":"Ba2 Ca1 V2 Si4 O14","formula_reduced":"Ba2CaV2(Si2O7)2","formula_anonymous":"AB2C2D4E14","energy":-183.89058274,"energy_per_atom":-7.995242727826088,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.87258274,"band_gap":1.0271999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9312634,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.425000Z","spacegroup":1},{"id":"mp-1193049","created_at":"2022-09-04T14:46:01.173124Z","structure_string":"Cs2 Sn1 H6 O12\n1.0\n3.931293 -6.809200 0.000000\n3.931293 6.809200 0.000000\n0.000000 0.000000 5.099616\nCs Sn H O\n2 1 6 12\ndirect\n0.333333 0.666667 0.378863 Cs\n0.666667 0.333333 0.621137 Cs\n0.000000 0.000000 0.500000 Sn\n0.271820 0.284163 0.999939 H\n0.012343 0.728180 0.999939 H\n0.715837 0.987657 0.999939 H\n0.728180 0.715837 0.000061 H\n0.987657 0.271820 0.000061 H\n0.284163 0.012343 0.000061 H\n0.084162 0.258312 0.729154 O\n0.174150 0.915838 0.729154 O\n0.741688 0.825850 0.729154 O\n0.915838 0.741688 0.270846 O\n0.825850 0.084162 0.270846 O\n0.258312 0.174150 0.270846 O\n0.288563 0.349504 0.821527 O\n0.060941 0.711437 0.821527 O\n0.650496 0.939059 0.821527 O\n0.711437 0.650496 0.178473 O\n0.939059 0.288563 0.178473 O\n0.349504 0.060941 0.178473 O\n","nsites":21,"nelements":4,"elements":["Cs","Sn","H","O"],"chemical_system":"Cs-H-O-Sn","density":3.543168339455922,"density_atomic":0.076916642844885,"volume":273.02283645361297,"volume_molar":7.829437865800554,"formula_full":"Cs2 Sn1 H6 O12","formula_reduced":"Cs2Sn(HO2)6","formula_anonymous":"AB2C6D12","energy":-109.61386026,"energy_per_atom":-5.219707631428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.36986026,"band_gap":2.5642,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:19.607000Z","spacegroup":147}]}