{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10167","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10165","results":[{"id":"mp-1403300","created_at":"2022-09-04T14:46:55.736293Z","structure_string":"Ca1 Ni4 O8\n1.0\n2.930853 -0.000091 0.601390\n1.412137 6.430745 0.560060\n0.110473 0.193935 6.907840\nCa Ni O\n1 4 8\ndirect\n0.449819 0.032334 0.068103 Ca\n0.630239 0.175533 0.564219 Ni\n0.149429 0.491761 0.209451 Ni\n0.820801 0.505887 0.852705 Ni\n0.341877 0.813592 0.502816 Ni\n0.854195 0.671492 0.620342 O\n0.441437 0.340796 0.776591 O\n0.529529 0.657992 0.283133 O\n0.131944 0.304396 0.431893 O\n0.140944 0.018953 0.699025 O\n0.791189 0.326613 0.091054 O\n0.830638 0.974079 0.364841 O\n0.185441 0.662678 0.966473 O\n","nsites":13,"nelements":3,"elements":["Ca","Ni","O"],"chemical_system":"Ca-Ni-O","density":5.160959324038942,"density_atomic":0.10029626789081811,"volume":129.6159894419174,"volume_molar":6.004351793583849,"formula_full":"Ca1 Ni4 O8","formula_reduced":"Ca(NiO2)4","formula_anonymous":"AB4C8","energy":-79.76923665,"energy_per_atom":-6.136095126923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.10923665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9997232,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.116000Z","spacegroup":8},{"id":"mp-972541","created_at":"2022-09-04T14:46:55.790522Z","structure_string":"Sm1 Tm1 Tl2\n1.0\n0.000000 3.815478 3.815478\n3.815478 0.000000 3.815478\n3.815478 3.815478 0.000000\nSm Tm Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n","nsites":4,"nelements":3,"elements":["Sm","Tm","Tl"],"chemical_system":"Sm-Tl-Tm","density":10.882781133025311,"density_atomic":0.036006684587788274,"volume":111.0904834975172,"volume_molar":16.725063217962642,"formula_full":"Sm1 Tm1 Tl2","formula_reduced":"SmTmTl2","formula_anonymous":"ABC2","energy":-15.25528817,"energy_per_atom":-3.8138220425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.25528817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0079105,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.070000Z","spacegroup":225},{"id":"mp-1235072","created_at":"2022-09-04T14:46:55.806068Z","structure_string":"Li1 Hf8 N8 O4\n1.0\n5.445167 -0.033974 0.050597\n2.753518 -4.719137 0.004918\n2.627861 1.519980 -10.075286\nLi Hf N O\n1 8 8 4\ndirect\n0.024585 0.970855 0.998003 Li\n0.133740 0.409217 0.273773 Hf\n0.141182 0.893694 0.756735 Hf\n0.379211 0.322421 0.958547 Hf\n0.629049 0.182753 0.534456 Hf\n0.357517 0.808791 0.458501 Hf\n0.816179 0.075621 0.238146 Hf\n0.654315 0.668816 0.033975 Hf\n0.846085 0.552080 0.719656 Hf\n0.450346 0.105158 0.371837 N\n0.581852 0.335048 0.112067 N\n0.243564 0.556500 0.623166 N\n0.757355 0.403910 0.378311 N\n0.448961 0.626849 0.872640 N\n0.972832 0.657007 0.118214 N\n0.957602 0.164724 0.616555 N\n0.768723 0.903870 0.876960 N\n0.248481 0.040120 0.125030 O\n0.064526 0.785634 0.372256 O\n0.064371 0.288023 0.875649 O\n0.564244 0.851197 0.617046 O\n","nsites":21,"nelements":4,"elements":["Li","Hf","N","O"],"chemical_system":"Hf-Li-N-O","density":10.337895843796655,"density_atomic":0.08115783982867683,"volume":258.75503887647494,"volume_molar":7.4202822213019255,"formula_full":"Li1 Hf8 N8 O4","formula_reduced":"LiHf8(N2O)4","formula_anonymous":"AB4C8D8","energy":-216.38636149,"energy_per_atom":-10.304112451904762,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.75036149,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001835,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.503000Z","spacegroup":1},{"id":"mp-1223823","created_at":"2022-09-04T14:46:55.853865Z","structure_string":"Hf4 Cr6 Si2\n1.0\n2.495507 -4.322345 0.000000\n2.495507 4.322345 0.000000\n0.000000 0.000000 8.269098\nHf Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.436611 Hf\n0.666667 0.333333 0.563389 Hf\n0.666667 0.333333 0.936611 Hf\n0.333333 0.666667 0.063389 Hf\n0.827505 0.172495 0.250000 Cr\n0.827505 0.655010 0.250000 Cr\n0.344990 0.172495 0.250000 Cr\n0.172495 0.827505 0.750000 Cr\n0.172495 0.344990 0.750000 Cr\n0.655010 0.827505 0.750000 Cr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n","nsites":12,"nelements":3,"elements":["Hf","Cr","Si"],"chemical_system":"Cr-Hf-Si","density":10.072869079957965,"density_atomic":0.06726898745838744,"volume":178.38829531101823,"volume_molar":8.952328535828332,"formula_full":"Hf4 Cr6 Si2","formula_reduced":"Hf2Cr3Si","formula_anonymous":"AB2C3","energy":-112.55935672,"energy_per_atom":-9.379946393333332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.70135672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005067,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.435000Z","spacegroup":194},{"id":"mp-779107","created_at":"2022-09-04T14:46:55.876667Z","structure_string":"Ti34 N12 O48\n1.0\n10.395526 0.000000 0.000000\n5.185255 10.030382 0.000000\n4.226817 0.003589 10.671107\nTi N O\n34 12 48\ndirect\n0.923751 0.928757 0.120848 Ti\n0.823023 0.249691 0.101086 Ti\n0.399629 0.428463 0.211149 Ti\n0.430151 0.923427 0.123834 Ti\n0.604293 0.577508 0.123519 Ti\n0.177673 0.750954 0.231346 Ti\n0.891694 0.442637 0.212348 Ti\n0.323275 0.249388 0.103348 Ti\n0.073568 0.075176 0.212702 Ti\n0.925114 0.927707 0.453094 Ti\n0.102036 0.570212 0.121275 Ti\n0.397664 0.423297 0.551916 Ti\n0.587893 0.053177 0.211700 Ti\n0.602336 0.576703 0.448084 Ti\n0.821359 0.250520 0.433212 Ti\n0.178641 0.749480 0.566788 Ti\n0.430723 0.923461 0.448070 Ti\n0.074886 0.072293 0.546906 Ti\n0.926432 0.924824 0.787298 Ti\n0.677134 0.750404 0.568437 Ti\n0.894904 0.428220 0.547332 Ti\n0.105096 0.571780 0.452668 Ti\n0.322866 0.249596 0.431563 Ti\n0.395707 0.422492 0.876481 Ti\n0.176977 0.750309 0.898914 Ti\n0.600371 0.571537 0.788851 Ti\n0.569277 0.076539 0.551930 Ti\n0.822327 0.249046 0.768654 Ti\n0.412107 0.946823 0.788300 Ti\n0.076249 0.071243 0.879152 Ti\n0.108306 0.557363 0.787652 Ti\n0.676725 0.750612 0.896652 Ti\n0.897964 0.429788 0.878725 Ti\n0.569849 0.076573 0.876166 Ti\n0.108208 0.749931 0.088526 N\n0.595471 0.750660 0.079683 N\n0.105425 0.749946 0.423916 N\n0.893616 0.250908 0.244042 N\n0.594627 0.750444 0.441355 N\n0.397250 0.250597 0.243067 N\n0.106384 0.749092 0.755958 N\n0.894575 0.250054 0.576084 N\n0.602750 0.749403 0.756933 N\n0.405373 0.249556 0.558645 N\n0.891792 0.250069 0.911474 N\n0.404529 0.249340 0.920317 N\n0.345859 0.433992 0.064326 O\n0.737593 0.122284 0.150727 O\n0.392439 0.618245 0.183709 O\n0.031011 0.065655 0.062391 O\n0.840997 0.438787 0.063630 O\n0.969409 0.936872 0.270875 O\n0.607695 0.380768 0.148384 O\n0.261273 0.880739 0.183639 O\n0.341806 0.436302 0.394818 O\n0.110550 0.377095 0.150830 O\n0.237769 0.118949 0.148863 O\n0.529299 0.061585 0.065036 O\n0.650119 0.551664 0.274930 O\n0.451380 0.948551 0.274879 O\n0.902444 0.609121 0.180708 O\n0.761986 0.889240 0.181396 O\n0.392077 0.619681 0.512390 O\n0.030706 0.064184 0.395641 O\n0.739377 0.118235 0.484374 O\n0.969294 0.935816 0.604359 O\n0.607923 0.380319 0.487610 O\n0.155515 0.564758 0.270894 O\n0.842085 0.438237 0.396047 O\n0.260623 0.881765 0.515626 O\n0.349881 0.448336 0.725070 O\n0.528551 0.061747 0.395044 O\n0.658194 0.563698 0.605182 O\n0.471449 0.938253 0.604956 O\n0.893484 0.618428 0.516100 O\n0.106516 0.381572 0.483900 O\n0.763836 0.879593 0.512849 O\n0.236164 0.120407 0.487151 O\n0.392305 0.619232 0.851616 O\n0.738727 0.119261 0.816361 O\n0.030591 0.063128 0.729125 O\n0.607561 0.381755 0.816291 O\n0.844485 0.435242 0.729106 O\n0.968989 0.934345 0.937609 O\n0.262407 0.877716 0.849273 O\n0.157915 0.561763 0.603953 O\n0.654141 0.566008 0.935674 O\n0.889450 0.622905 0.849170 O\n0.762231 0.881051 0.851137 O\n0.238014 0.110760 0.818604 O\n0.470701 0.938415 0.934964 O\n0.097556 0.390879 0.819292 O\n0.548620 0.051449 0.725121 O\n0.159003 0.561213 0.936370 O\n","nsites":94,"nelements":3,"elements":["Ti","N","O"],"chemical_system":"N-O-Ti","density":3.8257273627868438,"density_atomic":0.08448010342570222,"volume":1112.6880317170805,"volume_molar":7.128472286135748,"formula_full":"Ti34 N12 O48","formula_reduced":"Ti17(NO4)6","formula_anonymous":"A6B17C24","energy":-893.1943251,"energy_per_atom":-9.502067288297873,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-855.8863251,"band_gap":0.1402000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005711,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.440000Z","spacegroup":2},{"id":"mp-647363","created_at":"2022-09-04T14:46:55.915235Z","structure_string":"La21 Fe8 Bi7 C12\n1.0\n0.000000 8.247647 8.247647\n8.247647 0.000000 8.247647\n8.247647 8.247647 0.000000\nLa Fe Bi C\n21 8 7 12\ndirect\n0.157860 0.842140 0.500000 La\n0.842140 0.500000 0.500000 La\n0.137419 0.587742 0.137419 La\n0.157860 0.500000 0.500000 La\n0.500000 0.842140 0.157860 La\n0.412258 0.862581 0.862581 La\n0.137419 0.137419 0.137419 La\n0.842140 0.500000 0.157860 La\n0.842140 0.157860 0.500000 La\n0.862581 0.862581 0.412258 La\n0.500000 0.842140 0.500000 La\n0.862581 0.862581 0.862581 La\n0.500000 0.500000 0.157860 La\n0.500000 0.157860 0.500000 La\n0.587742 0.137419 0.137419 La\n0.862581 0.412258 0.862581 La\n0.500000 0.500000 0.842140 La\n0.500000 0.157860 0.842140 La\n0.137419 0.137419 0.587742 La\n0.157860 0.500000 0.842140 La\n0.000000 0.000000 0.000000 La\n0.696359 0.696359 0.696359 Fe\n0.303641 0.303641 0.303641 Fe\n0.696359 0.910923 0.696359 Fe\n0.089077 0.303641 0.303641 Fe\n0.910923 0.696359 0.696359 Fe\n0.303641 0.303641 0.089077 Fe\n0.303641 0.089077 0.303641 Fe\n0.696359 0.696359 0.910923 Fe\n0.209080 0.209080 0.790920 Bi\n0.790920 0.209080 0.790920 Bi\n0.209080 0.790920 0.790920 Bi\n0.790920 0.209080 0.209080 Bi\n0.500000 0.500000 0.500000 Bi\n0.209080 0.790920 0.209080 Bi\n0.790920 0.790920 0.209080 Bi\n0.608608 0.608608 0.891392 C\n0.891392 0.608608 0.891392 C\n0.391392 0.108608 0.108608 C\n0.608608 0.891392 0.891392 C\n0.108608 0.108608 0.391392 C\n0.108608 0.391392 0.391392 C\n0.391392 0.391392 0.108608 C\n0.391392 0.108608 0.391392 C\n0.891392 0.608608 0.608608 C\n0.108608 0.391392 0.108608 C\n0.891392 0.891392 0.608608 C\n0.608608 0.891392 0.608608 C\n","nsites":48,"nelements":4,"elements":["La","Fe","Bi","C"],"chemical_system":"Bi-C-Fe-La","density":7.356178051761291,"density_atomic":0.04277805625108873,"volume":1122.0706176610904,"volume_molar":14.077640004615061,"formula_full":"La21 Fe8 Bi7 C12","formula_reduced":"La21Fe8Bi7C12","formula_anonymous":"A7B8C12D21","energy":-334.87451041,"energy_per_atom":-6.976552300208334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-334.87451041,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.351772,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.501000Z","spacegroup":225},{"id":"mp-973267","created_at":"2022-09-04T14:46:59.686549Z","structure_string":"K1 Tc1 O3\n1.0\n3.933614 0.000000 0.000000\n0.000000 3.933614 0.000000\n0.000000 0.000000 3.933614\nK Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Tc","O"],"chemical_system":"K-O-Tc","density":5.049775620421871,"density_atomic":0.08214758140512123,"volume":60.866064642145275,"volume_molar":7.3308801756451585,"formula_full":"K1 Tc1 O3","formula_reduced":"KTcO3","formula_anonymous":"ABC3","energy":-36.24835497,"energy_per_atom":-7.249670994000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.18735497,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013528,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.063000Z","spacegroup":221},{"id":"mp-1097060","created_at":"2022-09-04T14:46:55.746815Z","structure_string":"K4 Ce8 Fe4 O20\n1.0\n0.000000 5.958981 0.000000\n0.000000 0.000000 9.200049\n11.041571 0.000000 0.000000\nK Ce Fe O\n4 8 4 20\ndirect\n0.247713 0.003304 0.353523 K\n0.247713 0.496696 0.853523 K\n0.747713 0.996696 0.646477 K\n0.747713 0.503304 0.146477 K\n0.230183 0.287987 0.141267 Ce\n0.230183 0.212013 0.641267 Ce\n0.730183 0.712013 0.858733 Ce\n0.730183 0.787987 0.358733 Ce\n0.245160 0.000968 0.885411 Ce\n0.245160 0.499032 0.385411 Ce\n0.745160 0.999032 0.114589 Ce\n0.745160 0.500968 0.614589 Ce\n0.254891 0.744951 0.112367 Fe\n0.254891 0.755049 0.612367 Fe\n0.754891 0.255049 0.887633 Fe\n0.754891 0.244951 0.387633 Fe\n0.884127 0.221802 0.060779 O\n0.384127 0.778198 0.939221 O\n0.384127 0.721802 0.439221 O\n0.884127 0.278198 0.560779 O\n0.381019 0.076819 0.070808 O\n0.381019 0.423181 0.570808 O\n0.881019 0.923181 0.929192 O\n0.881019 0.576819 0.429192 O\n0.046236 0.198640 0.809318 O\n0.499356 0.335105 0.294541 O\n0.546236 0.801360 0.190682 O\n0.999356 0.664895 0.705459 O\n0.999356 0.835105 0.205459 O\n0.546236 0.698640 0.690682 O\n0.499356 0.164895 0.794541 O\n0.046236 0.301360 0.309318 O\n0.219217 0.977223 0.629140 O\n0.219217 0.522777 0.129140 O\n0.719217 0.022777 0.370860 O\n0.719217 0.477223 0.870860 O\n","nsites":36,"nelements":4,"elements":["K","Ce","Fe","O"],"chemical_system":"Ce-Fe-K-O","density":4.994498683463651,"density_atomic":0.059471581853865585,"volume":605.3311325812673,"volume_molar":10.126081352262817,"formula_full":"K4 Ce8 Fe4 O20","formula_reduced":"KCe2FeO5","formula_anonymous":"ABC2D5","energy":-286.12779865,"energy_per_atom":-7.947994406944444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-263.36379865,"band_gap":0.0364999999999993,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9991158,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.680000Z","spacegroup":33},{"id":"mp-6940","created_at":"2022-09-04T14:46:55.748428Z","structure_string":"U2 Ir1 C2\n1.0\n-1.738642 1.738642 6.245042\n1.738642 -1.738642 6.245042\n1.738642 1.738642 -6.245042\nU Ir C\n2 1 2\ndirect\n0.353998 0.353998 0.000000 U\n0.646002 0.646002 0.000000 U\n0.000000 0.000000 0.000000 Ir\n0.829562 0.829562 0.000000 C\n0.170438 0.170438 0.000000 C\n","nsites":5,"nelements":3,"elements":["U","Ir","C"],"chemical_system":"C-Ir-U","density":15.223880623743504,"density_atomic":0.06621468485072962,"volume":75.51195042718541,"volume_molar":9.094871890693055,"formula_full":"U2 Ir1 C2","formula_reduced":"U2IrC2","formula_anonymous":"AB2C2","energy":-51.58664361,"energy_per_atom":-10.317328722000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.58664361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6094266,"is_theoretical":false,"updated_at":"2021-11-28T01:37:44.914000Z","spacegroup":139},{"id":"mp-1041779","created_at":"2022-09-04T14:46:55.752525Z","structure_string":"Zn4 Cu8 O16\n1.0\n5.046046 0.000000 0.000000\n0.000000 5.804780 0.000000\n0.000000 0.000000 10.112381\nZn Cu O\n4 8 16\ndirect\n0.655028 0.500000 0.500000 Zn\n0.344972 0.000000 0.000000 Zn\n0.981144 0.500000 0.000000 Zn\n0.018856 0.000000 0.500000 Zn\n0.984921 0.000000 0.232919 Cu\n0.984921 0.000000 0.767081 Cu\n0.015079 0.500000 0.267081 Cu\n0.015079 0.500000 0.732919 Cu\n0.500000 0.250000 0.250000 Cu\n0.500000 0.750000 0.750000 Cu\n0.500000 0.750000 0.250000 Cu\n0.500000 0.250000 0.750000 Cu\n0.636870 0.000000 0.146426 O\n0.636870 0.000000 0.853574 O\n0.363130 0.500000 0.353574 O\n0.363130 0.500000 0.646426 O\n0.299536 0.000000 0.347176 O\n0.299536 0.000000 0.652824 O\n0.700464 0.500000 0.152824 O\n0.700464 0.500000 0.847176 O\n0.835349 0.248988 0.366579 O\n0.835349 0.751012 0.633421 O\n0.164651 0.748988 0.133421 O\n0.164651 0.251012 0.866579 O\n0.164651 0.251012 0.133421 O\n0.164651 0.748988 0.866579 O\n0.835349 0.751012 0.366579 O\n0.835349 0.248988 0.633421 O\n","nsites":28,"nelements":3,"elements":["Zn","Cu","O"],"chemical_system":"Cu-O-Zn","density":5.751798906100995,"density_atomic":0.09452956021361164,"volume":296.2036418737954,"volume_molar":6.3706429463879495,"formula_full":"Zn4 Cu8 O16","formula_reduced":"Zn(CuO2)2","formula_anonymous":"AB2C4","energy":-143.92159887999998,"energy_per_atom":-5.140057102857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.92959888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0045595,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.572000Z","spacegroup":59},{"id":"mp-1224862","created_at":"2022-09-04T14:46:55.759248Z","structure_string":"Ga4 Bi3 As1\n1.0\n14.399134 -2.250023 0.000000\n14.399134 2.250023 0.000000\n14.047543 0.000000 3.881262\nGa Bi As\n4 3 1\ndirect\n0.057912 0.057912 0.057912 Ga\n0.812080 0.812080 0.812080 Ga\n0.563963 0.563963 0.563963 Ga\n0.317389 0.317389 0.317389 Ga\n0.747551 0.747551 0.747551 Bi\n0.499617 0.499617 0.499617 Bi\n0.251974 0.251974 0.251974 Bi\n0.999514 0.999514 0.999514 As\n","nsites":8,"nelements":3,"elements":["Ga","Bi","As"],"chemical_system":"As-Bi-Ga","density":6.475648289769987,"density_atomic":0.031810002277205075,"volume":251.49322311532086,"volume_molar":18.93159487233185,"formula_full":"Ga4 Bi3 As1","formula_reduced":"Ga4Bi3As","formula_anonymous":"AB3C4","energy":-28.34534114,"energy_per_atom":-3.5431676425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.34534114,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0046422,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.280000Z","spacegroup":160},{"id":"mp-1043436","created_at":"2022-09-04T14:46:55.760150Z","structure_string":"Sr4 Y2 Cu4 Mo2 O14\n1.0\n11.852998 3.880271 0.000000\n-11.852998 3.880271 0.000000\n0.000000 3.878921 3.959752\nSr Y Cu Mo O\n4 2 4 2 14\ndirect\n0.386075 0.168467 0.984063 Sr\n0.629782 0.841459 0.027209 Sr\n0.841459 0.629782 0.027209 Sr\n0.168466 0.386075 0.984063 Sr\n0.995250 0.497719 0.019538 Y\n0.497719 0.995250 0.019538 Y\n0.435765 0.060452 0.517822 Cu\n0.566770 0.940320 0.512217 Cu\n0.940320 0.566770 0.512217 Cu\n0.060452 0.435765 0.517822 Cu\n0.853639 0.853639 0.434317 Mo\n0.159644 0.159644 0.535482 Mo\n0.210518 0.210518 0.104375 O\n0.874178 0.874178 0.037063 O\n0.673010 0.294371 0.016030 O\n0.335114 0.706079 0.475084 O\n0.706079 0.335114 0.475084 O\n0.294371 0.673010 0.016030 O\n0.204938 0.833573 0.014894 O\n0.792407 0.168681 0.555455 O\n0.168681 0.792407 0.555455 O\n0.833573 0.204938 0.014894 O\n0.785395 0.636680 0.591501 O\n0.186805 0.336531 0.477584 O\n0.336531 0.186805 0.477584 O\n0.636680 0.785395 0.591501 O\n","nsites":26,"nelements":5,"elements":["Sr","Y","Cu","Mo","O"],"chemical_system":"Cu-Mo-O-Sr-Y","density":5.463155315989688,"density_atomic":0.07138140573004535,"volume":364.2405152166437,"volume_molar":8.436567896652116,"formula_full":"Sr4 Y2 Cu4 Mo2 O14","formula_reduced":"Sr2YCu2MoO7","formula_anonymous":"ABC2D2E7","energy":-187.19611826,"energy_per_atom":-7.199850702307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.17411826,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7004886,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.774000Z","spacegroup":8}]}