{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=7","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=5","results":[{"id":"mp-23504","created_at":"2022-09-04T14:39:26.033902Z","structure_string":"Sr4 In2 I10\n1.0\n-4.603956 4.603956 7.671489\n4.603956 -4.603956 7.671489\n4.603956 4.603956 -7.671489\nSr In I\n4 2 10\ndirect\n0.843975 0.343975 0.187950 Sr\n0.343975 0.156025 0.500000 Sr\n0.156025 0.656025 0.812050 Sr\n0.656025 0.843975 0.500000 Sr\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.000000 I\n0.512714 0.012714 0.801258 I\n0.012714 0.211456 0.500000 I\n0.711456 0.512714 0.500000 I\n0.987286 0.788544 0.500000 I\n0.288544 0.487286 0.500000 I\n0.788544 0.288544 0.801258 I\n0.487286 0.987286 0.198742 I\n0.211456 0.711456 0.198742 I\n","nsites":16,"nelements":3,"elements":["Sr","In","I"],"chemical_system":"I-In-Sr","density":4.720867001867265,"density_atomic":0.024599030774823245,"volume":650.4321306990587,"volume_molar":24.481211536852804,"formula_full":"Sr4 In2 I10","formula_reduced":"Sr2InI5","formula_anonymous":"AB2C5","energy":-52.93727658,"energy_per_atom":-3.30857978625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.14727658,"band_gap":2.9533,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001636,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.793000Z","spacegroup":140},{"id":"mp-638035","created_at":"2022-09-04T14:39:26.035159Z","structure_string":"Si6 O12\n1.0\n3.632184 -5.474650 0.000000\n3.632184 5.474650 0.000000\n-4.619542 0.000000 4.671657\nSi O\n6 12\ndirect\n0.577606 0.750000 0.922394 Si\n0.422394 0.250000 0.077606 Si\n0.077606 0.422394 0.250000 Si\n0.750000 0.922394 0.577606 Si\n0.922394 0.577606 0.750000 Si\n0.250000 0.077606 0.422394 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.628337 0.871663 0.750000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.750000 0.628337 0.871663 O\n0.871663 0.750000 0.628337 O\n0.371663 0.128337 0.250000 O\n0.250000 0.371663 0.128337 O\n0.000000 0.500000 0.500000 O\n0.128337 0.250000 0.371663 O\n0.500000 0.500000 0.000000 O\n","nsites":18,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":3.2220791813396046,"density_atomic":0.09688295133636345,"volume":185.79120218485738,"volume_molar":6.215893175149059,"formula_full":"Si6 O12","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-117.89220538,"energy_per_atom":-6.549566965555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.64820538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2030565,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.032000Z","spacegroup":167},{"id":"mp-977475","created_at":"2022-09-04T14:39:26.037789Z","structure_string":"Zr1 In1 Pd2\n1.0\n0.000000 3.321302 3.321302\n3.321302 0.000000 3.321302\n3.321302 3.321302 0.000000\nZr In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Zr","In","Pd"],"chemical_system":"In-Pd-Zr","density":9.492611329225966,"density_atomic":0.05458896932723275,"volume":73.274876761678,"volume_molar":11.031790550761947,"formula_full":"Zr1 In1 Pd2","formula_reduced":"ZrInPd2","formula_anonymous":"ABC2","energy":-24.43361351,"energy_per_atom":-6.1084033775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.43361351,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.85e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.276000Z","spacegroup":225},{"id":"mp-28616","created_at":"2022-09-04T14:39:26.048515Z","structure_string":"Nb4 Te20 Pd4\n1.0\n3.777731 0.000000 0.000000\n0.000000 14.001601 0.000000\n0.000000 0.000000 15.778797\nNb Te Pd\n4 20 4\ndirect\n0.250000 0.254004 0.841876 Nb\n0.750000 0.745996 0.158124 Nb\n0.750000 0.754004 0.658124 Nb\n0.250000 0.245996 0.341876 Nb\n0.750000 0.143689 0.937971 Te\n0.250000 0.856311 0.062029 Te\n0.250000 0.643689 0.562029 Te\n0.750000 0.356311 0.437971 Te\n0.250000 0.341646 0.009059 Te\n0.750000 0.658354 0.990941 Te\n0.750000 0.841646 0.490941 Te\n0.250000 0.158354 0.509059 Te\n0.750000 0.090615 0.348581 Te\n0.250000 0.909385 0.651419 Te\n0.250000 0.590615 0.151419 Te\n0.750000 0.409385 0.848581 Te\n0.750000 0.153631 0.739294 Te\n0.250000 0.846369 0.260706 Te\n0.250000 0.653631 0.760706 Te\n0.750000 0.346369 0.239294 Te\n0.250000 0.359928 0.680540 Te\n0.750000 0.640072 0.319460 Te\n0.750000 0.859928 0.819460 Te\n0.250000 0.140072 0.180540 Te\n0.750000 0.261185 0.592349 Pd\n0.250000 0.738815 0.407651 Pd\n0.250000 0.761185 0.907651 Pd\n0.750000 0.238815 0.092349 Pd\n","nsites":28,"nelements":3,"elements":["Nb","Te","Pd"],"chemical_system":"Nb-Pd-Te","density":6.6637891392368,"density_atomic":0.03354867828685631,"volume":834.60814046346,"volume_molar":17.950456076117167,"formula_full":"Nb4 Te20 Pd4","formula_reduced":"NbTe5Pd","formula_anonymous":"ABC5","energy":-141.95889009,"energy_per_atom":-5.069960360357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.51889009,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.158000Z","spacegroup":62},{"id":"mp-1179627","created_at":"2022-09-04T14:39:26.052016Z","structure_string":"Zn16 N32 Cl64\n1.0\n12.813624 0.000000 -0.142605\n0.000000 8.823028 0.000000\n-0.394877 0.000000 37.197112\nZn N Cl\n16 32 64\ndirect\n0.236704 0.059897 0.479557 Zn\n0.236704 0.940103 0.979557 Zn\n0.247639 0.042423 0.721012 Zn\n0.247639 0.957577 0.221012 Zn\n0.650111 0.125127 0.600130 Zn\n0.650111 0.874873 0.100130 Zn\n0.564719 0.983620 0.854195 Zn\n0.564719 0.016380 0.354195 Zn\n0.853251 0.486824 0.011005 Zn\n0.853251 0.513176 0.511005 Zn\n0.773311 0.392120 0.779149 Zn\n0.773311 0.607880 0.279149 Zn\n0.079298 0.495481 0.898032 Zn\n0.079298 0.504519 0.398032 Zn\n0.233994 0.512820 0.598076 Zn\n0.233994 0.487180 0.098076 Zn\n0.126851 0.013012 0.820438 N\n0.126851 0.986988 0.320438 N\n0.089284 0.929097 0.582075 N\n0.089284 0.070903 0.082075 N\n0.813868 0.015279 0.927419 N\n0.813868 0.984721 0.427419 N\n0.825944 -0.005843 0.700278 N\n0.825944 0.005843 0.200278 N\n0.298886 0.968906 0.668435 N\n0.298886 0.031094 0.168434 N\n0.334121 0.078295 0.944395 N\n0.334121 0.921705 0.444395 N\n0.629271 0.062330 0.543223 N\n0.629271 0.937670 0.043223 N\n0.525528 0.951510 0.780983 N\n0.525528 0.048489 0.280983 N\n0.621774 0.502672 0.676219 N\n0.621774 0.497328 0.176219 N\n0.595362 0.499909 0.944444 N\n0.595362 0.500091 0.444444 N\n0.348993 0.538860 0.556381 N\n0.348993 0.461140 0.056381 N\n0.308521 0.531419 0.823179 N\n0.308521 0.468581 0.323179 N\n0.816593 0.571973 0.816748 N\n0.816593 0.428027 0.316748 N\n0.689983 0.540211 0.582775 N\n0.689983 0.459789 0.082775 N\n0.110858 0.509300 0.956496 N\n0.110858 0.490700 0.456496 N\n0.095298 0.422106 0.701548 N\n0.095298 0.577894 0.201548 N\n0.220124 0.967270 0.584999 Cl\n0.220124 0.032730 0.084999 Cl\n0.112228 0.910346 0.489034 Cl\n0.112228 0.089654 0.989034 Cl\n0.329759 0.257573 0.486215 Cl\n0.329759 0.742427 0.986215 Cl\n0.403804 0.778028 0.453721 Cl\n0.403804 0.221972 0.953721 Cl\n0.248901 0.001897 0.831235 Cl\n0.248901 -0.001897 0.331235 Cl\n0.135239 0.872964 0.729325 Cl\n0.135239 0.127036 0.229325 Cl\n0.347391 0.228382 0.729691 Cl\n0.347391 0.771618 0.229691 Cl\n0.473584 0.815414 0.758595 Cl\n0.473584 0.184586 0.258595 Cl\n0.701755 0.019743 0.703013 Cl\n0.701755 0.980257 0.203013 Cl\n0.813361 0.121108 0.604407 Cl\n0.813361 0.878892 0.104407 Cl\n0.611676 0.676553 0.591051 Cl\n0.611676 0.323447 0.091051 Cl\n0.491296 0.133741 0.613444 Cl\n0.491296 0.866259 0.113444 Cl\n0.691618 0.974837 0.941504 Cl\n0.691618 0.025163 0.441504 Cl\n0.814024 0.048666 0.882064 Cl\n0.814024 0.951334 0.382064 Cl\n0.588371 0.748864 0.854402 Cl\n0.588371 0.251136 0.354402 Cl\n0.529082 0.211533 0.863203 Cl\n0.529082 0.788467 0.363203 Cl\n0.713568 0.493288 0.925308 Cl\n0.713568 0.506712 0.425308 Cl\n0.605599 0.553430 0.988760 Cl\n0.605599 0.446570 0.488760 Cl\n0.890736 0.714330 0.003721 Cl\n0.890736 0.285670 0.503721 Cl\n0.825826 0.254817 0.015811 Cl\n0.825826 0.745183 0.515811 Cl\n0.746225 0.515838 0.682790 Cl\n0.746225 0.484162 0.182790 Cl\n0.609975 0.409015 0.772428 Cl\n0.609975 0.590985 0.272428 Cl\n0.861131 0.733182 0.806624 Cl\n0.861131 0.266818 0.306624 Cl\n0.920797 0.297887 0.767621 Cl\n0.920797 0.702113 0.267621 Cl\n0.188640 0.497515 0.805233 Cl\n0.188640 0.502485 0.305233 Cl\n0.305466 0.552610 0.869221 Cl\n0.305466 0.447390 0.369221 Cl\n0.088582 0.258689 0.891886 Cl\n0.088582 0.741311 0.391886 Cl\n0.032199 0.722803 0.890159 Cl\n0.032199 0.277197 0.390159 Cl\n0.114233 0.420049 0.565030 Cl\n0.114233 0.579951 0.065030 Cl\n0.321774 0.585300 0.643466 Cl\n0.321774 0.414700 0.143466 Cl\n0.057238 0.325126 0.666791 Cl\n0.057238 0.674874 0.166791 Cl\n0.053535 0.814559 0.616598 Cl\n0.053535 0.185441 0.116598 Cl\n","nsites":112,"nelements":3,"elements":["Zn","N","Cl"],"chemical_system":"Cl-N-Zn","density":1.4863543861459805,"density_atomic":0.026636090363464874,"volume":4204.821295906988,"volume_molar":22.60895153089062,"formula_full":"Zn16 N32 Cl64","formula_reduced":"Zn(NCl2)2","formula_anonymous":"AB2C4","energy":-379.34325946,"energy_per_atom":-3.3869933880357146,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.04725946,"band_gap":0.3433000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":63.9725855,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.170000Z","spacegroup":7},{"id":"mp-561754","created_at":"2022-09-04T14:39:26.055555Z","structure_string":"K4 Ga4 Co4 C16 Cl12 O16\n1.0\n9.245978 0.000000 0.000000\n0.000000 11.823271 0.000000\n0.000000 3.634994 11.649942\nK Ga Co C Cl O\n4 4 4 16 12 16\ndirect\n0.686081 0.917634 0.871267 K\n0.313919 0.082366 0.128733 K\n0.813919 0.417634 0.871267 K\n0.186081 0.582366 0.128733 K\n0.943835 0.255304 0.206259 Ga\n0.556165 0.755304 0.206259 Ga\n0.056165 0.744696 0.793741 Ga\n0.443835 0.244696 0.793741 Ga\n0.314149 0.363820 0.627887 Co\n0.685851 0.636180 0.372113 Co\n0.814149 0.136180 0.372113 Co\n0.185851 0.863820 0.627887 Co\n0.611891 0.744323 0.428926 C\n0.843745 0.672461 0.287187 C\n0.582133 0.523586 0.342244 C\n0.656255 0.172461 0.287187 C\n0.082133 0.976414 0.657756 C\n0.917867 0.023586 0.342244 C\n0.111891 0.755677 0.571074 C\n0.763257 0.552829 0.503294 C\n0.417867 0.476414 0.657756 C\n0.888109 0.244323 0.428926 C\n0.263257 0.947171 0.496706 C\n0.236743 0.447171 0.496706 C\n0.156255 0.327539 0.712813 C\n0.736743 0.052829 0.503294 C\n0.388109 0.255677 0.571074 C\n0.343745 0.827539 0.712813 C\n0.542449 0.681013 0.057011 Cl\n0.143180 0.560515 0.870066 Cl\n0.179266 0.286057 0.238765 Cl\n0.356820 0.060515 0.870066 Cl\n0.320734 0.786057 0.238765 Cl\n0.957551 0.181013 0.057011 Cl\n0.457551 0.318987 0.942989 Cl\n0.820734 0.713943 0.761235 Cl\n0.856820 0.439485 0.129934 Cl\n0.679266 0.213943 0.761235 Cl\n0.643180 0.939485 0.129934 Cl\n0.042449 0.818987 0.942989 Cl\n0.931808 0.312757 0.471999 O\n0.048680 0.309938 0.764115 O\n0.568192 0.812757 0.471999 O\n0.068192 0.687243 0.528001 O\n0.451320 0.809938 0.764115 O\n0.517891 0.446452 0.324463 O\n0.482109 0.553548 0.675537 O\n0.951320 0.690062 0.235885 O\n0.310527 0.999637 0.408328 O\n0.017891 0.053548 0.675537 O\n0.431808 0.187243 0.528001 O\n0.548680 0.190062 0.235885 O\n0.189473 0.499637 0.408328 O\n0.982109 0.946452 0.324463 O\n0.810527 0.500363 0.591672 O\n0.689473 0.000363 0.591672 O\n","nsites":56,"nelements":6,"elements":["K","Ga","Co","C","Cl","O"],"chemical_system":"C-Cl-Co-Ga-K-O","density":2.0139804269405603,"density_atomic":0.04397175139812382,"volume":1273.5449059777363,"volume_molar":13.695476228533739,"formula_full":"K4 Ga4 Co4 C16 Cl12 O16","formula_reduced":"KGaCoC4Cl3O4","formula_anonymous":"ABCD3E4F4","energy":-361.72563512,"energy_per_atom":-6.459386341428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.81363512,"band_gap":3.4993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.623000Z","spacegroup":14},{"id":"mp-1194326","created_at":"2022-09-04T14:39:26.060364Z","structure_string":"Cs4 Tm4 Si4 S16\n1.0\n6.361077 0.000000 0.000000\n0.000000 6.715328 0.000000\n0.000000 0.000000 18.006998\nCs Tm Si S\n4 4 4 16\ndirect\n0.502429 0.493493 0.967486 Cs\n0.997571 0.506506 0.467486 Cs\n0.002429 0.006507 0.032514 Cs\n0.497571 0.993494 0.532514 Cs\n0.292151 0.478750 0.228726 Tm\n0.207849 0.521250 0.728726 Tm\n0.792151 0.021250 0.771274 Tm\n0.707849 0.978750 0.271274 Tm\n0.791597 0.517916 0.170659 Si\n0.708403 0.482084 0.670659 Si\n0.291597 0.982084 0.829341 Si\n0.208403 0.017916 0.329341 Si\n0.056225 0.511074 0.099649 S\n0.443775 0.488926 0.599649 S\n0.556225 0.988926 0.900351 S\n0.943775 0.011074 0.400351 S\n0.600444 0.419076 0.779984 S\n0.899556 0.580924 0.279984 S\n0.100444 0.080924 0.220016 S\n0.399556 0.919076 0.720016 S\n0.566469 0.748477 0.150155 S\n0.933531 0.251523 0.650155 S\n0.066469 0.751523 0.849845 S\n0.433531 0.248477 0.349845 S\n0.602454 0.254291 0.160207 S\n0.897546 0.745709 0.660207 S\n0.102454 0.245709 0.839793 S\n0.397546 0.754291 0.339793 S\n","nsites":28,"nelements":4,"elements":["Cs","Tm","Si","S"],"chemical_system":"Cs-S-Si-Tm","density":3.9564976350073287,"density_atomic":0.03640146247607814,"volume":769.1998643845887,"volume_molar":16.543678056774656,"formula_full":"Cs4 Tm4 Si4 S16","formula_reduced":"CsTmSiS4","formula_anonymous":"ABCD4","energy":-157.30078939,"energy_per_atom":-5.617885335357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.25278939,"band_gap":2.9693000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009726,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.791000Z","spacegroup":19},{"id":"mp-1206443","created_at":"2022-09-04T14:39:26.069799Z","structure_string":"La3 Sn1 C1\n1.0\n5.217808 0.000000 0.000000\n0.000000 5.217808 0.000000\n0.000000 0.000000 5.217808\nLa Sn C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["La","Sn","C"],"chemical_system":"C-La-Sn","density":6.3991022372065824,"density_atomic":0.03519700593864221,"volume":142.05753775523795,"volume_molar":17.109809767621147,"formula_full":"La3 Sn1 C1","formula_reduced":"La3SnC","formula_anonymous":"ABC3","energy":-30.49765298,"energy_per_atom":-6.099530596,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.49765298,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039367,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.469000Z","spacegroup":221},{"id":"mp-1037802","created_at":"2022-09-04T14:39:26.070670Z","structure_string":"Ca1 Mg30 Mn1 O32\n1.0\n8.575272 0.000000 0.000000\n0.000000 8.575272 0.000000\n0.000000 0.000000 8.583061\nCa Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.254066 0.251963 Mg\n0.000000 0.254066 0.748037 Mg\n0.000000 0.745934 0.251963 Mg\n0.000000 0.745934 0.748037 Mg\n0.500000 0.249999 0.250161 Mg\n0.500000 0.249999 0.749839 Mg\n0.500000 0.750001 0.250161 Mg\n0.500000 0.750001 0.749839 Mg\n0.254066 0.000000 0.251963 Mg\n0.254066 0.000000 0.748037 Mg\n0.249999 0.500000 0.250161 Mg\n0.249999 0.500000 0.749839 Mg\n0.745934 0.000000 0.251963 Mg\n0.745934 0.000000 0.748037 Mg\n0.750001 0.500000 0.250161 Mg\n0.750001 0.500000 0.749839 Mg\n0.252831 0.252831 0.000000 Mg\n0.250966 0.250966 0.500000 Mg\n0.252831 0.747169 0.000000 Mg\n0.250966 0.749034 0.500000 Mg\n0.747169 0.252831 0.000000 Mg\n0.749034 0.250966 0.500000 Mg\n0.747169 0.747169 0.000000 Mg\n0.749034 0.749034 0.500000 Mg\n0.000000 0.000000 0.500000 Mn\n0.262482 0.000000 0.000000 O\n0.258389 0.000000 0.500000 O\n0.252220 0.500000 0.000000 O\n0.251088 0.500000 0.500000 O\n0.737518 0.000000 0.000000 O\n0.741611 0.000000 0.500000 O\n0.747780 0.500000 0.000000 O\n0.748912 0.500000 0.500000 O\n0.249462 0.249462 0.249980 O\n0.249462 0.249462 0.750020 O\n0.249462 0.750538 0.249980 O\n0.249462 0.750538 0.750020 O\n0.750538 0.249462 0.249980 O\n0.750538 0.249462 0.750020 O\n0.750538 0.750538 0.249980 O\n0.750538 0.750538 0.750020 O\n0.000000 0.000000 0.257115 O\n0.000000 0.000000 0.742885 O\n0.000000 0.500000 0.251160 O\n0.000000 0.500000 0.748840 O\n0.500000 0.000000 0.251160 O\n0.500000 0.000000 0.748840 O\n0.500000 0.500000 0.250039 O\n0.500000 0.500000 0.749961 O\n0.000000 0.262482 0.000000 O\n0.000000 0.258389 0.500000 O\n0.000000 0.737518 0.000000 O\n0.000000 0.741611 0.500000 O\n0.500000 0.252220 0.000000 O\n0.500000 0.251088 0.500000 O\n0.500000 0.747780 0.000000 O\n0.500000 0.748912 0.500000 O\n","nsites":64,"nelements":4,"elements":["Ca","Mg","Mn","O"],"chemical_system":"Ca-Mg-Mn-O","density":3.5153233603196923,"density_atomic":0.10140093654189195,"volume":631.157878641087,"volume_molar":5.938939979624411,"formula_full":"Ca1 Mg30 Mn1 O32","formula_reduced":"CaMg30MnO32","formula_anonymous":"ABC30D32","energy":-410.09393504,"energy_per_atom":-6.407717735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-386.44193504,"band_gap":2.5162000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0009464,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.691000Z","spacegroup":123},{"id":"mp-605878","created_at":"2022-09-04T14:39:26.078152Z","structure_string":"La16 Mg4 Ru4\n1.0\n0.000000 7.175309 7.175309\n7.175309 0.000000 7.175309\n7.175309 7.175309 0.000000\nLa Mg Ru\n16 4 4\ndirect\n0.810191 0.189809 0.189809 La\n0.189809 0.189809 0.810191 La\n0.810191 0.810191 0.189809 La\n0.189809 0.810191 0.810191 La\n0.594094 0.594094 0.217719 La\n0.437762 0.062238 0.062238 La\n0.062238 0.437762 0.062238 La\n0.437762 0.062238 0.437762 La\n0.217719 0.594094 0.594094 La\n0.062238 0.437762 0.437762 La\n0.594094 0.217719 0.594094 La\n0.594094 0.594094 0.594094 La\n0.189809 0.810191 0.189809 La\n0.810191 0.189809 0.810191 La\n0.062238 0.062238 0.437762 La\n0.437762 0.437762 0.062238 La\n0.828054 0.828054 0.828054 Mg\n0.515839 0.828054 0.828054 Mg\n0.828054 0.515839 0.828054 Mg\n0.828054 0.828054 0.515839 Mg\n0.838184 0.387272 0.387272 Ru\n0.387272 0.387272 0.387272 Ru\n0.387272 0.838184 0.387272 Ru\n0.387272 0.387272 0.838184 Ru\n","nsites":24,"nelements":3,"elements":["La","Mg","Ru"],"chemical_system":"La-Mg-Ru","density":6.122127782683246,"density_atomic":0.0324832459767799,"volume":738.8424179392662,"volume_molar":18.539221001204208,"formula_full":"La16 Mg4 Ru4","formula_reduced":"La4MgRu","formula_anonymous":"ABC4","energy":-127.76173895,"energy_per_atom":-5.323405789583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.76173895,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018222,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.539000Z","spacegroup":216},{"id":"mp-1176549","created_at":"2022-09-04T14:39:26.081099Z","structure_string":"Li2 V6 O12\n1.0\n2.384152 -1.548975 -4.078523\n-2.541554 7.398309 -4.257584\n3.170848 1.583304 4.205395\nLi V O\n2 6 12\ndirect\n0.430884 0.143479 0.849592 Li\n0.930974 0.643503 0.849648 Li\n0.705916 0.906769 0.403017 V\n0.997783 0.002206 0.002613 V\n0.245098 0.742131 0.493697 V\n0.205801 0.406761 0.402969 V\n0.497775 0.502122 0.002542 V\n0.745085 0.242110 0.493686 V\n0.441382 0.361255 0.222530 O\n0.941423 0.861247 0.222583 O\n0.448295 0.042322 0.222251 O\n0.948318 0.542338 0.222191 O\n0.913039 0.203220 0.221129 O\n0.413175 0.703203 0.221273 O\n0.531872 0.307861 0.696365 O\n0.031954 0.807904 0.696454 O\n0.059361 0.433833 0.693124 O\n0.559415 0.933856 0.693224 O\n0.977421 0.107351 0.697123 O\n0.477432 0.607329 0.697196 O\n","nsites":20,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":4.109464980895689,"density_atomic":0.09676099752072868,"volume":206.69485136007913,"volume_molar":6.22372744628837,"formula_full":"Li2 V6 O12","formula_reduced":"LiV3O6","formula_anonymous":"AB3C6","energy":-167.36972339,"energy_per_atom":-8.368486169499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.92572339,"band_gap":1.1511,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.788000Z","spacegroup":1},{"id":"mp-1194683","created_at":"2022-09-04T14:39:25.835015Z","structure_string":"Hg4 As8 H4 F52\n1.0\n9.731541 0.000000 0.000000\n0.000000 9.775172 0.000000\n-2.464488 0.000000 10.647515\nHg As H F\n4 8 4 52\ndirect\n0.251205 0.832649 0.514920 Hg\n0.748795 0.332649 0.985080 Hg\n0.748795 0.167351 0.485080 Hg\n0.251205 0.667351 0.014920 Hg\n0.509575 0.835017 0.322613 As\n0.490425 0.335017 0.177387 As\n0.490425 0.164983 0.677387 As\n0.509575 0.664983 0.822613 As\n0.004301 0.139941 0.303248 As\n0.995699 0.639941 0.196752 As\n0.995699 0.860059 0.696752 As\n0.004301 0.360059 0.803248 As\n0.204723 0.524497 0.575717 H\n0.795277 0.024497 0.924283 H\n0.795277 0.475503 0.424283 H\n0.204723 0.975503 0.075717 H\n0.248669 0.573225 0.520090 F\n0.751331 0.073225 0.979910 F\n0.751331 0.426775 0.479910 F\n0.248669 0.926775 0.020090 F\n0.400537 0.711936 0.222648 F\n0.599463 0.211936 0.277352 F\n0.599463 0.288064 0.777352 F\n0.400537 0.788064 0.722648 F\n0.611092 0.953541 0.432329 F\n0.388908 0.453541 0.067671 F\n0.388908 0.046459 0.567671 F\n0.611092 0.546459 0.932329 F\n0.359597 0.942550 0.306602 F\n0.640403 0.442550 0.193398 F\n0.640403 0.057450 0.693398 F\n0.359597 0.557450 0.806602 F\n0.449103 0.758124 0.455479 F\n0.550897 0.258124 0.044521 F\n0.550897 0.241876 0.544521 F\n0.449103 0.741876 0.955479 F\n0.646831 0.717520 0.354869 F\n0.353169 0.217520 0.145131 F\n0.353169 0.282480 0.645131 F\n0.646831 0.782480 0.854869 F\n0.561504 0.909361 0.196760 F\n0.438496 0.409361 0.303240 F\n0.438496 0.090639 0.803240 F\n0.561504 0.590639 0.696760 F\n0.107420 0.029235 0.419201 F\n0.892580 0.529235 0.080799 F\n0.892580 0.970765 0.580799 F\n0.107420 0.470765 0.919201 F\n0.893980 0.253685 0.195926 F\n0.106020 0.753685 0.304074 F\n0.106020 0.746315 0.804074 F\n0.893980 0.246315 0.695926 F\n0.853327 0.039542 0.306982 F\n0.146673 0.539542 0.193018 F\n0.146673 0.960458 0.693018 F\n0.853327 0.460458 0.806982 F\n0.956623 0.236623 0.432741 F\n0.043377 0.736623 0.067259 F\n0.043377 0.763377 0.567259 F\n0.956623 0.263377 0.932741 F\n0.146370 0.249383 0.315433 F\n0.853630 0.749383 0.184567 F\n0.853630 0.750617 0.684567 F\n0.146370 0.250617 0.815433 F\n0.043873 0.043957 0.180229 F\n0.956127 0.543957 0.319771 F\n0.956127 0.956043 0.819771 F\n0.043873 0.456043 0.680229 F\n","nsites":68,"nelements":4,"elements":["Hg","As","H","F"],"chemical_system":"As-F-H-Hg","density":3.924290783847588,"density_atomic":0.06713587098824733,"volume":1012.8713458101101,"volume_molar":8.970079141528117,"formula_full":"Hg4 As8 H4 F52","formula_reduced":"HgAs2HF13","formula_anonymous":"ABC2D13","energy":-303.2166661399999,"energy_per_atom":-4.4590686197058815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.19266614,"band_gap":3.0664,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0262999,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.659000Z","spacegroup":14}]}