{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10264","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=updated_at&page=10262","results":[{"id":"mp-1026490","created_at":"2022-09-04T14:47:02.205453Z","structure_string":"Mg14 Ti1 Si1\n1.0\n6.286555 0.072723 0.000000\n-3.080298 5.335232 0.000000\n0.000000 0.000000 10.149674\nMg Ti Si\n14 1 1\ndirect\n0.167088 0.333544 0.625000 Mg\n0.165998 0.832999 0.625000 Mg\n0.667218 0.331216 0.125000 Mg\n0.665356 0.333545 0.625000 Mg\n0.667218 0.836001 0.125000 Mg\n0.665356 0.831810 0.625000 Mg\n0.330033 0.165643 0.367893 Mg\n0.330033 0.165643 0.882107 Mg\n0.330033 0.664391 0.367893 Mg\n0.330033 0.664391 0.882107 Mg\n0.839298 0.169649 0.373108 Mg\n0.839298 0.169649 0.876892 Mg\n0.837897 0.668949 0.370743 Mg\n0.837897 0.668949 0.879257 Mg\n0.161610 0.330804 0.125000 Ti\n0.165637 0.832818 0.125000 Si\n","nsites":16,"nelements":3,"elements":["Mg","Ti","Si"],"chemical_system":"Mg-Si-Ti","density":2.016812878124728,"density_atomic":0.04668860926199836,"volume":342.6960077181611,"volume_molar":12.89852247730508,"formula_full":"Mg14 Ti1 Si1","formula_reduced":"Mg14TiSi","formula_anonymous":"ABC14","energy":-34.927236210000004,"energy_per_atom":-2.1829522631250002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.99823621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2066274,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.899000Z","spacegroup":38},{"id":"mp-865995","created_at":"2022-09-04T14:47:02.193088Z","structure_string":"Yb1 Sn1 Au2\n1.0\n0.000000 3.516184 3.516184\n3.516184 0.000000 3.516184\n3.516184 3.516184 0.000000\nYb Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Yb","Sn","Au"],"chemical_system":"Au-Sn-Yb","density":13.095672067825568,"density_atomic":0.0460060784323966,"volume":86.94503283686264,"volume_molar":13.089880653160224,"formula_full":"Yb1 Sn1 Au2","formula_reduced":"YbSnAu2","formula_anonymous":"ABC2","energy":-14.85016137,"energy_per_atom":-3.7125403425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.85016137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004522,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.903000Z","spacegroup":225},{"id":"mp-1235617","created_at":"2022-09-04T14:46:55.045592Z","structure_string":"Ba2 Li1 C2 O6\n1.0\n7.351468 -0.008890 -0.288923\n-0.006251 5.557604 -0.002680\n-1.680185 0.000289 4.207393\nBa Li C O\n2 1 2 6\ndirect\n0.237941 0.770056 0.860933 Ba\n0.747341 0.269915 0.101412 Ba\n0.131974 0.268723 0.956251 Li\n0.196947 0.268532 0.497162 C\n0.760933 0.769173 0.496591 C\n0.178224 0.061314 0.324888 O\n0.170330 0.475379 0.321485 O\n0.341403 0.272432 0.807590 O\n0.632259 0.768859 0.196182 O\n0.828858 0.565245 0.642370 O\n0.829347 0.973370 0.642359 O\n","nsites":11,"nelements":4,"elements":["Ba","Li","C","O"],"chemical_system":"Ba-C-Li-O","density":3.941420235680383,"density_atomic":0.06501128999862665,"volume":169.20138025614278,"volume_molar":9.26322298807979,"formula_full":"Ba2 Li1 C2 O6","formula_reduced":"Ba2Li(CO3)2","formula_anonymous":"AB2C2D6","energy":-79.26856723,"energy_per_atom":-7.206233384545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.14656723,"band_gap":0.2656999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.904000Z","spacegroup":6},{"id":"mp-1223897","created_at":"2022-09-04T14:47:08.102180Z","structure_string":"Ho8 Sb3 O8\n1.0\n1.881299 6.629710 0.000000\n-1.881299 6.629710 0.000000\n0.000000 4.410550 14.351136\nHo Sb O\n8 3 8\ndirect\n0.454819 0.454343 0.830949 Ho\n0.545657 0.545181 0.169051 Ho\n0.643403 0.643415 0.569112 Ho\n0.356585 0.356597 0.430888 Ho\n0.877731 0.877862 0.652504 Ho\n0.122138 0.122269 0.347496 Ho\n0.719757 0.720558 0.911550 Ho\n0.279442 0.280243 0.088450 Ho\n0.172276 0.170492 0.733317 Sb\n0.829508 0.827724 0.266683 Sb\n0.953006 0.046994 0.000000 Sb\n0.294589 0.298030 0.933733 O\n0.701970 0.705411 0.066267 O\n0.882011 0.883820 0.798130 O\n0.116180 0.117989 0.201870 O\n0.165026 0.164636 0.485952 O\n0.835364 0.834974 0.514048 O\n0.469813 0.469676 0.630835 O\n0.530324 0.530187 0.369165 O\n","nsites":19,"nelements":3,"elements":["Ho","Sb","O"],"chemical_system":"Ho-O-Sb","density":8.408347561976994,"density_atomic":0.053074384801074306,"volume":357.9881344119774,"volume_molar":11.346604925466988,"formula_full":"Ho8 Sb3 O8","formula_reduced":"Ho8Sb3O8","formula_anonymous":"A3B8C8","energy":-148.90025532,"energy_per_atom":-7.8368555431578955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.82825532,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020513,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.906000Z","spacegroup":5},{"id":"mp-979259","created_at":"2022-09-04T14:47:03.482091Z","structure_string":"V2 Re1 Mo1\n1.0\n0.000000 3.056681 3.056681\n3.056681 0.000000 3.056681\n3.056681 3.056681 0.000000\nV Re Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Mo\n","nsites":4,"nelements":3,"elements":["V","Re","Mo"],"chemical_system":"Mo-Re-V","density":11.164361791920616,"density_atomic":0.07002927711871071,"volume":57.11896744584935,"volume_molar":8.599461550619061,"formula_full":"V2 Re1 Mo1","formula_reduced":"V2ReMo","formula_anonymous":"ABC2","energy":-42.56160373,"energy_per_atom":-10.6404009325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.56160373,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008646,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.911000Z","spacegroup":225},{"id":"mp-1245199","created_at":"2022-09-04T14:46:54.654058Z","structure_string":"Zn50 S50\n1.0\n12.415737 0.140378 -0.218467\n0.147236 13.169912 0.038263\n-0.198729 0.039143 14.551491\nZn S\n50 50\ndirect\n0.077240 0.083899 0.028330 Zn\n0.645392 0.135467 0.248006 Zn\n0.378547 0.195919 0.229678 Zn\n0.865009 0.699210 0.044501 Zn\n0.266078 0.226030 0.492199 Zn\n0.750940 0.625928 0.828822 Zn\n0.915108 0.519582 0.190479 Zn\n0.231355 0.778465 0.530913 Zn\n0.912940 0.552510 0.704431 Zn\n0.189819 0.454867 0.278116 Zn\n0.438550 0.899885 0.415224 Zn\n0.164986 0.911615 0.199972 Zn\n0.347708 0.723277 0.267869 Zn\n0.809013 0.360276 0.335827 Zn\n0.013850 0.091516 0.798199 Zn\n0.377369 0.545100 0.465719 Zn\n0.818841 0.299451 0.837179 Zn\n0.436477 0.323020 0.643286 Zn\n0.779860 0.275063 0.108079 Zn\n0.782529 0.066387 0.992585 Zn\n0.096277 0.885236 0.429132 Zn\n0.842005 0.775057 0.285222 Zn\n0.446221 0.739378 0.990880 Zn\n0.536597 0.267728 0.898344 Zn\n0.714329 0.973989 0.806441 Zn\n0.723515 0.139061 0.434541 Zn\n0.930065 0.025004 0.246681 Zn\n0.830979 0.518734 0.479232 Zn\n0.182247 0.645011 0.687850 Zn\n0.804144 0.065156 0.693278 Zn\n0.157192 0.198511 0.285043 Zn\n0.663353 0.878967 0.524088 Zn\n0.683320 0.637408 0.469928 Zn\n0.220165 0.314865 0.017902 Zn\n0.069448 0.514097 0.494322 Zn\n0.194449 0.664849 0.053804 Zn\n0.578218 0.351006 0.426337 Zn\n0.981045 0.459960 0.977301 Zn\n0.151866 0.966274 0.578097 Zn\n0.472849 0.064952 0.508409 Zn\n0.208171 0.524773 0.834992 Zn\n0.182910 0.754781 0.833518 Zn\n0.257814 0.468065 0.675311 Zn\n0.013951 0.801765 0.750694 Zn\n0.414715 0.978688 0.135548 Zn\n0.739683 0.797250 0.954568 Zn\n0.317036 0.164159 0.729804 Zn\n0.472603 0.675145 0.669595 Zn\n0.432354 0.510201 0.233712 Zn\n0.613719 0.994115 0.361360 Zn\n0.344514 0.894797 0.007611 S\n0.497561 0.206851 0.756659 S\n0.854730 0.474509 0.848098 S\n0.564230 0.612227 0.808185 S\n0.566984 0.541643 0.128442 S\n0.673835 0.315453 0.232862 S\n0.567458 0.754589 0.874049 S\n0.021806 0.109636 0.473507 S\n0.932675 0.368502 0.106094 S\n0.543471 0.495112 0.992108 S\n0.310397 0.125438 0.354401 S\n0.427795 0.505926 0.618827 S\n0.205117 0.094548 0.837129 S\n0.713285 0.238585 0.953598 S\n0.014068 0.852288 0.286749 S\n0.239361 0.138961 0.973288 S\n0.024222 0.606500 0.065594 S\n0.497633 0.128122 0.133069 S\n0.127494 0.391071 0.900359 S\n0.748188 0.306351 0.475888 S\n0.225202 0.448417 0.430695 S\n0.233163 0.302954 0.644118 S\n0.303515 0.064803 0.592181 S\n0.070236 0.247085 0.420371 S\n0.244132 0.320280 0.179472 S\n0.900111 0.212626 0.723996 S\n0.426051 0.389990 0.962314 S\n0.696565 0.826522 0.369932 S\n0.297239 0.647695 0.925852 S\n0.265945 0.587732 0.196867 S\n0.316081 0.773545 0.681889 S\n0.791243 0.654092 0.186196 S\n0.364370 0.726842 0.429290 S\n0.889461 0.056155 0.400793 S\n0.952868 0.469419 0.342220 S\n0.462566 0.248810 0.500969 S\n0.190946 0.849106 0.048487 S\n0.507357 0.694441 0.141552 S\n0.081083 0.677719 0.554626 S\n0.667706 0.045327 0.563832 S\n0.792060 0.085581 0.152991 S\n0.852412 0.715971 0.727535 S\n0.089841 0.077049 0.184542 S\n0.341778 0.897552 0.259383 S\n0.947016 0.443261 0.591377 S\n0.008571 0.962654 0.679058 S\n0.650001 0.952968 0.950654 S\n0.951063 0.022356 0.935551 S\n0.521712 0.507678 0.371682 S\n0.611262 0.733877 0.584588 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.402578295457802,"density_atomic":0.04204363306984208,"volume":2378.4814179564814,"volume_molar":14.323549893978324,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-334.46731198,"energy_per_atom":-3.3446731198,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.31731198,"band_gap":1.2531,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.912000Z","spacegroup":1},{"id":"mp-625521","created_at":"2022-09-04T14:46:58.864653Z","structure_string":"H3 Br1 O1\n1.0\n2.476209 3.486419 0.000000\n-2.476209 3.486419 0.000000\n0.000000 1.714341 4.084576\nH Br O\n3 1 1\ndirect\n0.685528 0.685528 0.352441 H\n0.357325 0.692058 0.680036 H\n0.692058 0.357325 0.680036 H\n0.983913 0.983913 0.988660 Br\n0.539758 0.539758 0.536286 O\n","nsites":5,"nelements":3,"elements":["H","Br","O"],"chemical_system":"Br-H-O","density":2.329276515930034,"density_atomic":0.0708967211084096,"volume":70.52512333192955,"volume_molar":8.494244396424799,"formula_full":"H3 Br1 O1","formula_reduced":"H3BrO","formula_anonymous":"ABC3","energy":-21.91796181,"energy_per_atom":-4.383592362,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.696961810000005,"band_gap":4.5929,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013726,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.912000Z","spacegroup":8},{"id":"mp-1198940","created_at":"2022-09-04T14:46:58.648134Z","structure_string":"Nd6 Co8 Sn26\n1.0\n9.654140 0.000000 0.000000\n0.000000 9.654140 0.000000\n0.000000 0.000000 9.654140\nNd Co Sn\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.801622 0.342472 0.500000 Sn\n0.657528 0.500000 0.801622 Sn\n0.500000 0.198378 0.657528 Sn\n0.198378 0.657528 0.500000 Sn\n0.342472 0.500000 0.198378 Sn\n0.500000 0.801622 0.342472 Sn\n0.801622 0.657528 0.500000 Sn\n0.657528 0.500000 0.198378 Sn\n0.198378 0.342472 0.500000 Sn\n0.342472 0.500000 0.801622 Sn\n0.500000 0.801622 0.657528 Sn\n0.500000 0.198378 0.342472 Sn\n0.301622 0.000000 0.842472 Sn\n0.157528 0.301622 0.000000 Sn\n0.000000 0.157528 0.698378 Sn\n0.698378 0.000000 0.157528 Sn\n0.842472 0.698378 0.000000 Sn\n0.000000 0.842472 0.301622 Sn\n0.301622 0.000000 0.157528 Sn\n0.157528 0.698378 0.000000 Sn\n0.698378 0.000000 0.842472 Sn\n0.842472 0.301622 0.000000 Sn\n0.000000 0.157528 0.301622 Sn\n0.000000 0.842472 0.698378 Sn\n","nsites":40,"nelements":3,"elements":["Nd","Co","Sn"],"chemical_system":"Co-Nd-Sn","density":8.163235591803064,"density_atomic":0.04445485662577594,"volume":899.7892027123779,"volume_molar":13.546643082655285,"formula_full":"Nd6 Co8 Sn26","formula_reduced":"Nd3Co4Sn13","formula_anonymous":"A3B4C13","energy":-204.36934954000003,"energy_per_atom":-5.1092337385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.36934954000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1994727,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.919000Z","spacegroup":223},{"id":"mp-1110927","created_at":"2022-09-04T14:47:01.378467Z","structure_string":"K3 Ce1 Br6\n1.0\n0.000000 6.026106 6.026106\n6.026106 0.000000 6.026106\n6.026106 6.026106 0.000000\nK Ce Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.759849 0.240151 0.240151 Br\n0.240151 0.240151 0.759849 Br\n0.240151 0.759849 0.759849 Br\n0.240151 0.759849 0.240151 Br\n0.759849 0.240151 0.759849 Br\n0.759849 0.759849 0.240151 Br\n","nsites":10,"nelements":3,"elements":["K","Ce","Br"],"chemical_system":"Br-Ce-K","density":2.7956254770180387,"density_atomic":0.022848605760480145,"volume":437.66346642018726,"volume_molar":26.356710002919012,"formula_full":"K3 Ce1 Br6","formula_reduced":"K3CeBr6","formula_anonymous":"AB3C6","energy":-39.688961,"energy_per_atom":-3.9688961,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.484961,"band_gap":0.3147999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9996737,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.921000Z","spacegroup":225},{"id":"mp-1176176","created_at":"2022-09-04T14:47:00.188646Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n3.022720 0.000000 0.000000\n1.260130 9.686247 0.000000\n0.281255 0.435899 9.976471\nLi Mn Co O\n9 2 5 16\ndirect\n0.867129 0.256791 0.811380 Li\n0.131829 0.746388 0.686076 Li\n0.378992 0.251888 0.563408 Li\n0.628263 0.751638 0.441241 Li\n0.874075 0.248399 0.308415 Li\n0.118788 0.747889 0.186569 Li\n0.360415 0.254847 0.065439 Li\n0.637763 0.741738 0.937107 Li\n0.250711 0.499612 0.875003 Li\n0.998691 0.000069 0.999649 Mn\n0.250613 0.500009 0.375016 Mn\n0.494173 0.999509 0.748635 Co\n0.765957 0.499360 0.635611 Co\n0.000423 0.001362 0.500307 Co\n0.506178 0.999158 0.251646 Co\n0.734380 0.501052 0.114306 Co\n0.398955 0.118312 0.901174 O\n0.695240 0.614961 0.763738 O\n0.946468 0.114610 0.653033 O\n0.168232 0.614832 0.528309 O\n0.456475 0.116086 0.403245 O\n0.664771 0.610893 0.272646 O\n0.960924 0.113135 0.155887 O\n0.155041 0.613935 0.038334 O\n0.349919 0.385858 0.711179 O\n0.542446 0.886123 0.595695 O\n0.836600 0.389235 0.477501 O\n0.055356 0.884354 0.348053 O\n0.331803 0.385236 0.222137 O\n0.595054 0.883763 0.097777 O\n0.803702 0.384586 0.986856 O\n0.040636 0.884371 0.844628 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.11015188891067,"density_atomic":0.10955181443701742,"volume":292.09922413833834,"volume_molar":5.4970707613995735,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.46282057,"energy_per_atom":-6.4832131428125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.94482057,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9998749,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.924000Z","spacegroup":1},{"id":"mp-771907","created_at":"2022-09-04T14:46:56.012417Z","structure_string":"Li4 Mn5 Sn3 O16\n1.0\n3.065284 5.268397 0.000000\n-3.065284 5.268397 0.000000\n0.000000 0.110320 9.865246\nLi Mn Sn O\n4 5 3 16\ndirect\n0.322487 0.322487 0.883849 Li\n0.018290 0.018290 0.993234 Li\n0.014720 0.014720 0.500906 Li\n0.660377 0.660377 0.394388 Li\n0.330352 0.330352 0.496598 Mn\n0.167300 0.167300 0.217537 Mn\n0.659075 0.659075 0.990090 Mn\n0.337308 0.825679 0.715196 Mn\n0.825679 0.337308 0.715196 Mn\n0.165748 0.661039 0.214639 Sn\n0.661039 0.165748 0.214639 Sn\n0.829404 0.829404 0.714213 Sn\n0.166461 0.688371 0.601784 O\n0.480933 0.480933 0.339502 O\n0.325282 0.325282 0.100500 O\n0.006131 0.006131 0.318489 O\n0.007421 0.007421 0.810651 O\n0.688371 0.166461 0.601784 O\n0.029780 0.469147 0.334421 O\n0.469147 0.029780 0.334421 O\n0.846333 0.846333 0.093152 O\n0.164082 0.164082 0.611182 O\n0.504255 0.957149 0.832637 O\n0.957149 0.504255 0.832637 O\n0.656113 0.656113 0.606437 O\n0.318776 0.854198 0.105677 O\n0.511057 0.511057 0.828088 O\n0.854198 0.318776 0.105677 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Sn","O"],"chemical_system":"Li-Mn-O-Sn","density":4.766297189066882,"density_atomic":0.08787612628343212,"volume":318.6303400503787,"volume_molar":6.852988422107307,"formula_full":"Li4 Mn5 Sn3 O16","formula_reduced":"Li4Mn5Sn3O16","formula_anonymous":"A3B4C5D16","energy":-202.53025099,"energy_per_atom":-7.233223249642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.19825099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.0008901,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.926000Z","spacegroup":8},{"id":"mp-557263","created_at":"2022-09-04T14:47:02.995326Z","structure_string":"H24 C4 N8 O12\n1.0\n6.586091 0.000000 0.000000\n0.000000 6.589957 0.000000\n0.000000 0.000000 10.715768\nH C N O\n24 4 8 12\ndirect\n0.250000 0.477004 0.953585 H\n0.250000 0.026052 0.937419 H\n0.113847 0.189899 0.555968 H\n0.386153 0.310101 0.055968 H\n0.113847 0.310101 0.055968 H\n0.879100 0.814559 0.157000 H\n0.750000 0.522996 0.046415 H\n0.379100 0.185441 0.843000 H\n0.379100 0.314559 0.343000 H\n0.750000 0.973948 0.062581 H\n0.120900 0.185441 0.843000 H\n0.613847 0.689899 0.944032 H\n0.120900 0.314559 0.343000 H\n0.250000 0.473948 0.437419 H\n0.250000 0.022996 0.453585 H\n0.750000 0.526052 0.562581 H\n0.620900 0.685441 0.657000 H\n0.750000 0.977004 0.546415 H\n0.613847 0.810101 0.444032 H\n0.620900 0.814559 0.157000 H\n0.879100 0.685441 0.657000 H\n0.886153 0.689899 0.944032 H\n0.386153 0.189899 0.555968 H\n0.886153 0.810101 0.444032 H\n0.250000 0.172393 0.498369 C\n0.750000 0.672393 0.001631 C\n0.750000 0.827607 0.501631 C\n0.250000 0.327607 0.998369 C\n0.250000 0.330615 0.399431 N\n0.250000 0.169385 0.899431 N\n0.250000 0.734304 0.700882 N\n0.750000 0.830615 0.100569 N\n0.250000 0.765696 0.200882 N\n0.750000 0.669385 0.600569 N\n0.750000 0.265696 0.299118 N\n0.750000 0.234304 0.799118 N\n0.916660 0.225676 0.244225 O\n0.083340 0.774324 0.755775 O\n0.750000 0.157825 0.907146 O\n0.916660 0.274324 0.744225 O\n0.416660 0.725676 0.255775 O\n0.583340 0.274324 0.744225 O\n0.750000 0.342175 0.407146 O\n0.250000 0.842175 0.092854 O\n0.083340 0.725676 0.255775 O\n0.416660 0.774324 0.755775 O\n0.583340 0.225676 0.244225 O\n0.250000 0.657825 0.592854 O\n","nsites":48,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.3434649655969415,"density_atomic":0.10320663708405793,"volume":465.0863680492351,"volume_molar":5.8350324457284595,"formula_full":"H24 C4 N8 O12","formula_reduced":"H6CN2O3","formula_anonymous":"AB2C3D6","energy":-275.20171474,"energy_per_atom":-5.733369057083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.06971474,"band_gap":3.2383,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013199,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.928000Z","spacegroup":62}]}