{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=10224","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=10222","results":[{"id":"mp-1045281","created_at":"2022-09-04T14:46:03.023346Z","structure_string":"Ca4 Co2 W2 O12\n1.0\n2.765369 -2.804440 3.948216\n2.790032 2.792969 3.969402\n-5.564028 0.069751 7.925159\nCa Co W O\n4 2 2 12\ndirect\n0.113137 0.152441 0.635755 Ca\n0.611894 0.654147 0.135799 Ca\n0.362985 0.403720 0.885068 Ca\n0.864181 0.900646 0.385626 Ca\n0.263325 0.234767 0.252850 Co\n0.761594 0.738576 0.753140 Co\n0.017460 0.979005 0.000971 W\n0.518447 0.477828 0.500697 W\n0.189486 0.127953 0.077736 O\n0.689005 0.627311 0.578185 O\n0.819596 0.330912 0.876304 O\n0.320032 0.830652 0.376306 O\n0.704680 0.042674 0.162096 O\n0.204869 0.541479 0.661853 O\n0.871703 0.796166 0.923717 O\n0.371476 0.296399 0.423459 O\n0.335600 0.884749 0.836219 O\n0.835874 0.384790 0.336189 O\n0.236936 0.605173 0.111744 O\n0.738106 0.104075 0.611286 O\n","nsites":20,"nelements":4,"elements":["Ca","Co","W","O"],"chemical_system":"Ca-Co-O-W","density":5.643744838777771,"density_atomic":0.0811299816722551,"volume":246.5179898695776,"volume_molar":7.422830174334253,"formula_full":"Ca4 Co2 W2 O12","formula_reduced":"Ca2CoWO6","formula_anonymous":"ABC2D6","energy":-159.42242748,"energy_per_atom":-7.971121374000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.02642748,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0022291,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.087000Z","spacegroup":146},{"id":"mp-1978995","created_at":"2022-09-04T14:41:07.136426Z","structure_string":"Li2 Mn4 P4 O16\n1.0\n-0.008096 0.060849 4.861631\n6.124608 -0.022079 0.019450\n-0.036471 10.227890 0.126132\nLi Mn P O\n2 4 4 16\ndirect\n0.754198 0.254683 0.798043 Li\n0.250593 0.748067 0.296392 Li\n0.801156 0.493045 0.085701 Mn\n0.214640 0.505879 0.577938 Mn\n0.698339 0.006142 0.508602 Mn\n0.286047 0.996466 0.016240 Mn\n0.149956 0.007621 0.689369 P\n0.817043 0.995230 0.206675 P\n0.682789 0.502539 0.387642 P\n0.349381 0.494243 0.904910 P\n0.922714 0.000848 0.350454 O\n0.080713 0.002472 0.835760 O\n0.469807 0.016685 0.667049 O\n0.505773 0.981579 0.202044 O\n0.946192 0.190805 0.129279 O\n0.019599 0.816940 0.610974 O\n0.001647 0.213196 0.631824 O\n0.969921 0.791759 0.141101 O\n0.499085 0.289669 0.963281 O\n0.529362 0.705389 0.453374 O\n0.553490 0.306602 0.464691 O\n0.477736 0.685417 0.983087 O\n0.576999 0.497128 0.243781 O\n0.419632 0.498533 0.758612 O\n0.993921 0.516613 0.392281 O\n0.029263 0.482450 0.926746 O\n","nsites":26,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.3458123159340603,"density_atomic":0.08538810285325513,"volume":304.4920677612741,"volume_molar":7.052669586007118,"formula_full":"Li2 Mn4 P4 O16","formula_reduced":"LiMn2(PO4)2","formula_anonymous":"AB2C2D8","energy":-207.24980069000003,"energy_per_atom":-7.971146180384617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.58580069,"band_gap":0.3659000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.403000Z","spacegroup":2},{"id":"mp-19753","created_at":"2022-09-04T14:44:00.574636Z","structure_string":"Gd1 Si2 Pd2\n1.0\n-2.092997 2.092997 4.996925\n2.092997 -2.092997 4.996925\n2.092997 2.092997 -4.996925\nGd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.617078 0.617078 0.000000 Si\n0.382922 0.382922 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n","nsites":5,"nelements":3,"elements":["Gd","Si","Pd"],"chemical_system":"Gd-Pd-Si","density":8.083969435680592,"density_atomic":0.057104452269888674,"volume":87.55884701194329,"volume_molar":10.545834029784558,"formula_full":"Gd1 Si2 Pd2","formula_reduced":"Gd(SiPd)2","formula_anonymous":"AB2C2","energy":-39.85580528,"energy_per_atom":-7.971161056,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.99780528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9868009,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.173000Z","spacegroup":139},{"id":"mp-561922","created_at":"2022-09-04T14:42:05.811665Z","structure_string":"La4 Co4 O12\n1.0\n1.595188 4.548246 2.619800\n-4.829957 -0.038534 2.815795\n3.205616 -4.538537 5.439194\nLa Co O\n4 4 12\ndirect\n0.247430 0.747862 0.498289 La\n0.751017 0.253482 0.000561 La\n0.748984 0.246525 0.499441 La\n0.252569 0.752136 0.001707 La\n0.250000 0.250000 0.250000 Co\n0.750000 0.749998 0.750000 Co\n0.250000 0.249998 0.750000 Co\n0.750000 0.750000 0.250000 Co\n0.964010 0.020458 0.285881 O\n0.474255 0.541477 0.780010 O\n0.025745 0.958521 0.719992 O\n0.535993 0.479546 0.214119 O\n0.759650 0.677249 0.492432 O\n0.251673 0.186033 0.995855 O\n0.248328 0.313967 0.504151 O\n0.740353 0.822746 0.007568 O\n0.531943 0.032709 0.713700 O\n0.023287 0.540414 0.215301 O\n0.476709 0.959584 0.284699 O\n0.968054 0.467290 0.786297 O\n","nsites":20,"nelements":3,"elements":["La","Co","O"],"chemical_system":"Co-La-O","density":6.850938507647742,"density_atomic":0.08391197968908505,"volume":238.3449904781775,"volume_molar":7.176735410502224,"formula_full":"La4 Co4 O12","formula_reduced":"LaCoO3","formula_anonymous":"ABC3","energy":-159.42352011,"energy_per_atom":-7.9711760055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.62752011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9942038,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.860000Z","spacegroup":2},{"id":"mp-585261","created_at":"2022-09-04T14:43:16.907213Z","structure_string":"Li1 Mo4 P4 O22\n1.0\n6.473687 0.000000 0.000000\n-0.072058 7.574014 0.000000\n-0.039568 -2.466180 8.754856\nLi Mo P O\n1 4 4 22\ndirect\n0.000000 0.500000 0.000000 Li\n0.745160 0.831451 0.147395 Mo\n0.753132 0.609349 0.703235 Mo\n0.246868 0.390651 0.296765 Mo\n0.254840 0.168549 0.852605 Mo\n0.247427 0.923834 0.116637 P\n0.750887 0.490365 0.325379 P\n0.249113 0.509635 0.674621 P\n0.752573 0.076166 0.883363 P\n0.758757 0.967140 0.328148 O\n0.441416 0.803134 0.116580 O\n0.059824 0.791970 0.110073 O\n0.756998 0.907572 0.749007 O\n0.250380 0.973802 0.960458 O\n0.765512 0.582384 0.190408 O\n0.244142 0.624443 0.361759 O\n0.747150 0.637204 0.478618 O\n0.062994 0.639701 0.690049 O\n0.445337 0.633507 0.700097 O\n0.232807 0.360859 0.092213 O\n0.767193 0.639141 0.907787 O\n0.554663 0.366493 0.299903 O\n0.937006 0.360299 0.309951 O\n0.252850 0.362796 0.521382 O\n0.755858 0.375557 0.638241 O\n0.234488 0.417616 0.809592 O\n0.749620 0.026198 0.039542 O\n0.243002 0.092428 0.250993 O\n0.940176 0.208030 0.889927 O\n0.558584 0.196866 0.883420 O\n0.241243 0.032860 0.671852 O\n","nsites":31,"nelements":4,"elements":["Li","Mo","P","O"],"chemical_system":"Li-Mo-O-P","density":3.3522189594589644,"density_atomic":0.07221624211220817,"volume":429.266313135386,"volume_molar":8.33903922976623,"formula_full":"Li1 Mo4 P4 O22","formula_reduced":"LiMo4(P2O11)2","formula_anonymous":"AB4C4D22","energy":-247.10911705,"energy_per_atom":-7.971261840322581,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.18711705,"band_gap":0.2198999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0039939,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.030000Z","spacegroup":2},{"id":"mp-1519457","created_at":"2022-09-04T14:47:22.907600Z","structure_string":"K1 Ba1 La1 W1 O6\n1.0\n0.000000 -4.344547 -4.344547\n4.344547 0.000000 -4.344547\n4.344547 -4.344547 -0.000000\nK Ba La W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 -0.000000 La\n0.500000 0.500000 0.500000 W\n0.725486 0.274514 0.274514 O\n0.274514 0.725486 0.725486 O\n0.725486 0.274514 0.725486 O\n0.274514 0.725486 0.274514 O\n0.725486 0.725486 0.274514 O\n0.274514 0.274514 0.725486 O\n","nsites":10,"nelements":5,"elements":["K","Ba","La","W","O"],"chemical_system":"Ba-K-La-O-W","density":6.025936756398573,"density_atomic":0.060972851325839676,"volume":164.00741940966276,"volume_molar":9.876757653693453,"formula_full":"K1 Ba1 La1 W1 O6","formula_reduced":"KBaLaWO6","formula_anonymous":"ABCDE6","energy":-79.7127329,"energy_per_atom":-7.971273290000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.1527329,"band_gap":2.9378,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:57.982000Z","spacegroup":216},{"id":"mp-757615","created_at":"2022-09-04T14:44:51.684527Z","structure_string":"Li4 P8 W4 O28\n1.0\n8.582501 0.000000 0.000000\n0.000000 7.239153 0.000000\n0.000000 3.627602 8.357493\nLi P W O\n4 8 4 28\ndirect\n0.952456 0.712966 0.167792 Li\n0.452456 0.287034 0.332208 Li\n0.547544 0.712966 0.667792 Li\n0.047544 0.287034 0.832208 Li\n0.726508 0.459417 0.470938 P\n0.226508 0.540583 0.029062 P\n0.733872 0.062044 0.753349 P\n0.233872 0.937956 0.746651 P\n0.766128 0.062044 0.253349 P\n0.266128 0.937956 0.246651 P\n0.773492 0.459417 0.970938 P\n0.273492 0.540583 0.529062 P\n0.576798 0.757971 0.113449 W\n0.076798 0.242029 0.386551 W\n0.923202 0.757971 0.613449 W\n0.423202 0.242029 0.886551 W\n0.595754 0.512098 0.345958 O\n0.886206 0.430974 0.408624 O\n0.766614 0.609827 0.051555 O\n0.266614 0.390173 0.448445 O\n0.386206 0.569026 0.091376 O\n0.662805 0.249254 0.601861 O\n0.095754 0.487902 0.154042 O\n0.235625 0.113060 0.802239 O\n0.883813 0.114707 0.808552 O\n0.596522 0.020899 0.878124 O\n0.837195 0.249254 0.101861 O\n0.096522 0.979101 0.621876 O\n0.264375 0.113060 0.302239 O\n0.616187 0.114707 0.308552 O\n0.383813 0.885293 0.691448 O\n0.735625 0.886940 0.697761 O\n0.903478 0.020899 0.378124 O\n0.162805 0.750746 0.898139 O\n0.403478 0.979101 0.121876 O\n0.116187 0.885293 0.191448 O\n0.764375 0.886940 0.197761 O\n0.904246 0.512098 0.845958 O\n0.337195 0.750746 0.398139 O\n0.613794 0.430974 0.908624 O\n0.733386 0.609827 0.551555 O\n0.233386 0.390173 0.948445 O\n0.113794 0.569026 0.591376 O\n0.404246 0.487902 0.654042 O\n","nsites":44,"nelements":4,"elements":["Li","P","W","O"],"chemical_system":"Li-O-P-W","density":4.665478334824134,"density_atomic":0.08473738093822844,"volume":519.2513565185,"volume_molar":7.106828997216705,"formula_full":"Li4 P8 W4 O28","formula_reduced":"LiP2WO7","formula_anonymous":"ABC2D7","energy":-350.73631236,"energy_per_atom":-7.971279826363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-313.74831236,"band_gap":3.6773,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9768585,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.842000Z","spacegroup":14},{"id":"mp-1102532","created_at":"2022-09-04T14:47:14.458411Z","structure_string":"Nb4 Ge4 Rh4\n1.0\n3.876682 0.000000 0.000000\n0.000000 6.507360 0.000000\n0.000000 0.000000 7.507878\nNb Ge Rh\n4 4 4\ndirect\n0.250000 0.971962 0.321653 Nb\n0.250000 0.471962 0.178347 Nb\n0.750000 0.028038 0.678347 Nb\n0.750000 0.528038 0.821653 Nb\n0.250000 0.739527 0.623739 Ge\n0.250000 0.239527 0.876261 Ge\n0.750000 0.260473 0.376261 Ge\n0.750000 0.760473 0.123739 Ge\n0.250000 0.355456 0.562335 Rh\n0.250000 0.855456 0.937665 Rh\n0.750000 0.644544 0.437665 Rh\n0.750000 0.144544 0.062335 Rh\n","nsites":12,"nelements":3,"elements":["Nb","Ge","Rh"],"chemical_system":"Ge-Nb-Rh","density":9.414414604525355,"density_atomic":0.0633576452596018,"volume":189.40097837965988,"volume_molar":9.504994599033571,"formula_full":"Nb4 Ge4 Rh4","formula_reduced":"NbGeRh","formula_anonymous":"ABC","energy":-95.65555735,"energy_per_atom":-7.971296445833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.65555735,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014241,"is_theoretical":false,"updated_at":"2021-11-28T01:37:58.031000Z","spacegroup":62},{"id":"mp-756345","created_at":"2022-09-04T14:40:42.935544Z","structure_string":"V4 Ni2 O12\n1.0\n0.071195 -2.786819 4.134509\n7.569049 -1.726176 -4.127561\n2.951996 4.547111 0.193253\nV Ni O\n4 2 12\ndirect\n0.214119 0.751197 0.704793 V\n0.984290 0.003117 0.962626 V\n0.484306 0.503123 0.462619 V\n0.714105 0.251183 0.204794 V\n0.048275 0.349187 0.750634 Ni\n0.548288 0.849195 0.250688 Ni\n0.456817 0.071311 0.209886 O\n0.956775 0.571289 0.709889 O\n0.948920 0.197395 0.078900 O\n0.448914 0.697387 0.578829 O\n0.507779 0.374927 0.915502 O\n0.007793 0.874951 0.415494 O\n0.996885 0.123880 0.660268 O\n0.496912 0.623850 0.160352 O\n0.616303 0.330884 0.467701 O\n0.116302 0.830894 0.967729 O\n0.102005 0.423505 0.375857 O\n0.602008 0.923529 0.875842 O\n","nsites":18,"nelements":3,"elements":["V","Ni","O"],"chemical_system":"Ni-O-V","density":4.203498078134668,"density_atomic":0.08879605089743732,"volume":202.7117176730152,"volume_molar":6.781991652934872,"formula_full":"V4 Ni2 O12","formula_reduced":"V2NiO6","formula_anonymous":"AB2C6","energy":-143.48417253,"energy_per_atom":-7.971342918333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.35817253,"band_gap":1.7960999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9985734,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.592000Z","spacegroup":1},{"id":"mp-757043","created_at":"2022-09-04T14:48:16.079648Z","structure_string":"Mn3 Ni2 P6 W1 O24\n1.0\n7.411342 -4.356673 0.000000\n7.411342 4.356673 0.000000\n4.850321 0.000000 7.098096\nMn Ni P W O\n3 2 6 1 24\ndirect\n0.357185 0.357185 0.357185 Mn\n0.145608 0.145608 0.145608 Mn\n0.643345 0.643345 0.643345 Mn\n0.007656 0.007656 0.007656 Ni\n0.501123 0.501123 0.501123 Ni\n0.449797 0.747436 0.047706 P\n0.747436 0.047706 0.449797 P\n0.047706 0.449797 0.747436 P\n0.950781 0.540175 0.257267 P\n0.257267 0.950781 0.540175 P\n0.540175 0.257267 0.950781 P\n0.857605 0.857605 0.857605 W\n0.681265 0.893592 0.492664 O\n0.893592 0.492664 0.681265 O\n0.492664 0.681265 0.893592 O\n0.258774 0.910646 0.058561 O\n0.616838 0.825639 0.983233 O\n0.454862 0.598894 0.240337 O\n0.910646 0.058561 0.258774 O\n0.598894 0.240337 0.454862 O\n0.988328 0.390126 0.186475 O\n0.240337 0.454862 0.598894 O\n0.925508 0.744518 0.088006 O\n0.186475 0.988328 0.390126 O\n0.825639 0.983233 0.616838 O\n0.058561 0.258774 0.910646 O\n0.752461 0.562536 0.407682 O\n0.983233 0.616838 0.825639 O\n0.407682 0.752461 0.562536 O\n0.088006 0.925508 0.744518 O\n0.562536 0.407682 0.752461 O\n0.390126 0.186475 0.988328 O\n0.744518 0.088006 0.925508 O\n0.520878 0.307511 0.104955 O\n0.104955 0.520878 0.307511 O\n0.307511 0.104955 0.520878 O\n","nsites":36,"nelements":5,"elements":["Mn","Ni","P","W","O"],"chemical_system":"Mn-Ni-O-P-W","density":3.7525829028533244,"density_atomic":0.07853781555482005,"volume":458.37791318338486,"volume_molar":7.667823095737232,"formula_full":"Mn3 Ni2 P6 W1 O24","formula_reduced":"Mn3Ni2P6WO24","formula_anonymous":"AB2C3D6E24","energy":-286.97150134,"energy_per_atom":-7.971430592777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.95950134,"band_gap":0.0452000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.9969542,"is_theoretical":true,"updated_at":"2021-11-28T01:38:42.236000Z","spacegroup":146},{"id":"mp-980205","created_at":"2022-09-04T14:40:12.774743Z","structure_string":"Y4 B16 Os4\n1.0\n3.570844 0.000000 0.000000\n0.000000 5.978252 0.000000\n0.000000 0.000000 11.567744\nY B Os\n4 16 4\ndirect\n0.000000 0.628136 0.649844 Y\n0.000000 0.371864 0.350156 Y\n0.000000 0.128136 0.850156 Y\n0.000000 0.871864 0.149844 Y\n0.500000 0.974722 0.691427 B\n0.500000 0.025278 0.308573 B\n0.500000 0.474722 0.808573 B\n0.500000 0.525278 0.191427 B\n0.500000 0.788713 0.814274 B\n0.500000 0.211287 0.185726 B\n0.500000 0.288713 0.685726 B\n0.500000 0.711287 0.314274 B\n0.500000 0.863610 0.969762 B\n0.500000 0.136390 0.030238 B\n0.500000 0.363610 0.530238 B\n0.500000 0.636390 0.469762 B\n0.500000 0.887496 0.546580 B\n0.500000 0.112504 0.453420 B\n0.500000 0.387496 0.953420 B\n0.500000 0.612504 0.046580 B\n0.000000 0.640466 0.906612 Os\n0.000000 0.359534 0.093388 Os\n0.000000 0.140466 0.593388 Os\n0.000000 0.859534 0.406612 Os\n","nsites":24,"nelements":3,"elements":["Y","B","Os"],"chemical_system":"B-Os-Y","density":8.671280067924167,"density_atomic":0.09718908143260384,"volume":246.9413193975179,"volume_molar":6.196314103633213,"formula_full":"Y4 B16 Os4","formula_reduced":"YB4Os","formula_anonymous":"ABC4","energy":-191.31587172,"energy_per_atom":-7.971494655,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.31587172,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000133,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.427000Z","spacegroup":55},{"id":"mp-1369302","created_at":"2022-09-04T14:40:20.999535Z","structure_string":"Y4 Co4 O14\n1.0\n0.000000 4.957435 4.957435\n4.957435 0.000000 4.957435\n4.957435 4.957435 0.000000\nY Co O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Y\n0.625000 0.125000 0.625000 Y\n0.125000 0.625000 0.625000 Y\n0.625000 0.625000 0.625000 Y\n0.125000 0.125000 0.625000 Co\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.047214 0.452786 0.047214 O\n0.797214 0.202786 0.797214 O\n0.047214 0.047214 0.452786 O\n0.452786 0.047214 0.047214 O\n0.047214 0.452786 0.452786 O\n0.452786 0.452786 0.047214 O\n0.452786 0.047214 0.452786 O\n0.202786 0.797214 0.797214 O\n0.797214 0.202786 0.202786 O\n0.202786 0.797214 0.202786 O\n0.797214 0.797214 0.202786 O\n0.202786 0.202786 0.797214 O\n","nsites":22,"nelements":3,"elements":["Y","Co","O"],"chemical_system":"Co-O-Y","density":5.556366817153906,"density_atomic":0.09028624670695304,"volume":243.66944913998464,"volume_molar":6.6700532801484025,"formula_full":"Y4 Co4 O14","formula_reduced":"Y2Co2O7","formula_anonymous":"A2B2C7","energy":-175.37368524,"energy_per_atom":-7.971531147272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.20368524,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9995969,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.863000Z","spacegroup":227}]}