{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10235","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10233","results":[{"id":"mp-1078223","created_at":"2022-09-04T14:39:31.861575Z","structure_string":"Eu1 Ag4 Sb2\n1.0\n8.320289 -2.393656 0.000000\n8.320289 2.393656 0.000000\n7.631661 0.000000 4.088344\nEu Ag Sb\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.857978 0.857978 0.857978 Ag\n0.142022 0.142022 0.142022 Ag\n0.566457 0.566457 0.566457 Ag\n0.433543 0.433543 0.433543 Ag\n0.740847 0.740847 0.740847 Sb\n0.259153 0.259153 0.259153 Sb\n","nsites":7,"nelements":3,"elements":["Eu","Ag","Sb"],"chemical_system":"Ag-Eu-Sb","density":8.43246108047792,"density_atomic":0.0429853498008434,"volume":162.84617974337516,"volume_molar":14.009751666326654,"formula_full":"Eu1 Ag4 Sb2","formula_reduced":"Eu(Ag2Sb)2","formula_anonymous":"AB2C4","energy":-32.43309191,"energy_per_atom":-4.633298844285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.04909191,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9522932,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.152000Z","spacegroup":166},{"id":"mp-1245800","created_at":"2022-09-04T14:39:31.839867Z","structure_string":"Sn2 Os2 N2\n1.0\n3.205562 0.000000 0.000000\n-1.602781 2.764255 0.000000\n0.000000 0.000000 13.271675\nSn Os N\n2 2 2\ndirect\n0.001331 0.002663 0.415435 Sn\n0.998669 0.997337 0.915435 Sn\n0.670837 0.341673 0.735337 Os\n0.329163 0.658327 0.235337 Os\n0.335994 0.671989 0.693868 N\n0.664006 0.328011 0.193868 N\n","nsites":6,"nelements":3,"elements":["Sn","Os","N"],"chemical_system":"N-Os-Sn","density":9.12014873893266,"density_atomic":0.05102032577849762,"volume":117.60018989390076,"volume_molar":11.803414949063331,"formula_full":"Sn2 Os2 N2","formula_reduced":"SnOsN","formula_anonymous":"ABC","energy":-45.11100372,"energy_per_atom":-7.51850062,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.38900372,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089371,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.015000Z","spacegroup":186},{"id":"mp-1021256","created_at":"2022-09-04T14:39:32.024151Z","structure_string":"La2 Mg12 Si2\n1.0\n4.708373 0.000000 0.000000\n0.000000 6.281331 0.000000\n0.000000 0.000000 13.005713\nLa Mg Si\n2 12 2\ndirect\n0.000000 0.500000 0.295145 La\n0.000000 0.000000 0.795145 La\n0.000000 0.243849 0.071522 Mg\n0.000000 0.756151 0.071522 Mg\n0.000000 0.000000 0.353486 Mg\n0.500000 0.748825 0.439540 Mg\n0.500000 0.251175 0.439540 Mg\n0.500000 0.000000 0.199146 Mg\n0.000000 0.743849 0.571522 Mg\n0.000000 0.256151 0.571522 Mg\n0.000000 0.500000 0.853486 Mg\n0.500000 0.248825 0.939540 Mg\n0.500000 0.751175 0.939540 Mg\n0.500000 0.500000 0.699146 Mg\n0.500000 0.500000 0.130099 Si\n0.500000 0.000000 0.630099 Si\n","nsites":16,"nelements":3,"elements":["La","Mg","Si"],"chemical_system":"La-Mg-Si","density":2.7009605767943268,"density_atomic":0.041597121283236886,"volume":384.6420018119811,"volume_molar":14.477301731999534,"formula_full":"La2 Mg12 Si2","formula_reduced":"LaMg6Si","formula_anonymous":"ABC6","energy":-40.2364062,"energy_per_atom":-2.5147753875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.3784062,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0047769,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.819000Z","spacegroup":38},{"id":"mp-776668","created_at":"2022-09-04T14:39:32.088651Z","structure_string":"Li8 Mn7 Fe1 P12 O48\n1.0\n8.570668 0.000000 0.000000\n0.026494 8.795111 0.000000\n0.011169 0.045093 11.955666\nLi Mn Fe P O\n8 7 1 12 48\ndirect\n0.215519 0.721945 0.180990 Li\n0.214330 0.777489 0.819694 Li\n0.285301 0.222356 0.317983 Li\n0.285209 0.279669 0.681414 Li\n0.716369 0.721146 0.320062 Li\n0.716191 0.775693 0.681524 Li\n0.784496 0.222690 0.180748 Li\n0.783872 0.278449 0.818958 Li\n0.246985 0.962826 0.613129 Mn\n0.248468 0.535771 0.385617 Mn\n0.251838 0.036586 0.113297 Mn\n0.250735 0.465041 0.886122 Mn\n0.748100 0.536353 0.115116 Mn\n0.747944 0.963105 0.886721 Mn\n0.752056 0.036559 0.386003 Mn\n0.752897 0.462642 0.614051 Fe\n0.038118 0.246242 0.499575 P\n0.464140 0.750694 0.999776 P\n0.535440 0.249786 0.999919 P\n0.965542 0.750697 0.500775 P\n0.105430 0.394062 0.147030 P\n0.105632 0.106142 0.852019 P\n0.392678 0.609391 0.645596 P\n0.394010 0.893765 0.352907 P\n0.605223 0.104209 0.647039 P\n0.604050 0.393870 0.351577 P\n0.894062 0.605493 0.856524 P\n0.894064 0.894157 0.147364 P\n0.059160 0.644371 0.425164 O\n0.059763 0.860043 0.575476 O\n0.074950 0.897284 0.157419 O\n0.074551 0.605523 0.845168 O\n0.147337 0.156379 0.582728 O\n0.146776 0.332119 0.418544 O\n0.155964 0.438224 0.029013 O\n0.155437 0.060825 0.970795 O\n0.159618 0.232065 0.179995 O\n0.158199 0.265466 0.818415 O\n0.177660 0.515329 0.226824 O\n0.178382 0.983188 0.773023 O\n0.321301 0.016198 0.273822 O\n0.318700 0.489640 0.726064 O\n0.334686 0.772432 0.677155 O\n0.341101 0.734005 0.319745 O\n0.343429 0.563074 0.527735 O\n0.344783 0.938191 0.472229 O\n0.356963 0.837798 0.083521 O\n0.358248 0.667215 0.917238 O\n0.423567 0.100368 0.657011 O\n0.424124 0.396167 0.340231 O\n0.441988 0.141546 0.075592 O\n0.442205 0.356912 0.924369 O\n0.556681 0.643698 0.075666 O\n0.558253 0.858989 0.923941 O\n0.571396 0.608038 0.657365 O\n0.574618 0.896120 0.342986 O\n0.643509 0.335215 0.081089 O\n0.644372 0.160911 0.917078 O\n0.655278 0.060311 0.528451 O\n0.656446 0.438434 0.468493 O\n0.657761 0.231815 0.318828 O\n0.656955 0.265316 0.679873 O\n0.676726 0.515044 0.271009 O\n0.677857 0.982130 0.726911 O\n0.821332 0.016212 0.226582 O\n0.822964 0.485688 0.777519 O\n0.841585 0.734131 0.181172 O\n0.840244 0.768863 0.822056 O\n0.845824 0.566169 0.975910 O\n0.844242 0.939287 0.028460 O\n0.858003 0.663873 0.582306 O\n0.858234 0.838304 0.417399 O\n0.924774 0.102810 0.841746 O\n0.925834 0.395336 0.158529 O\n0.944783 0.139369 0.423751 O\n0.944743 0.352753 0.574080 O\n","nsites":76,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":3.013667091036783,"density_atomic":0.08433033416683236,"volume":901.2178209758745,"volume_molar":7.141132333338416,"formula_full":"Li8 Mn7 Fe1 P12 O48","formula_reduced":"Li8Mn7Fe(PO4)12","formula_anonymous":"AB7C8D12E48","energy":-577.8436525,"energy_per_atom":-7.603205953947368,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-530.9356525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.3121619,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.961000Z","spacegroup":1},{"id":"mp-1659","created_at":"2022-09-04T14:39:32.099038Z","structure_string":"Th4 Re8\n1.0\n2.706395 -4.687614 0.000000\n2.706395 4.687614 0.000000\n0.000000 0.000000 9.429472\nTh Re\n4 8\ndirect\n0.333333 0.666667 0.060927 Th\n0.666667 0.333333 0.560927 Th\n0.666667 0.333333 0.939073 Th\n0.333333 0.666667 0.439073 Th\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.830514 0.661029 0.250000 Re\n0.169486 0.830514 0.750000 Re\n0.661029 0.830514 0.750000 Re\n0.338971 0.169486 0.250000 Re\n0.830514 0.169486 0.250000 Re\n0.169486 0.338971 0.750000 Re\n","nsites":12,"nelements":2,"elements":["Th","Re"],"chemical_system":"Re-Th","density":16.78071860572601,"density_atomic":0.050155763981955356,"volume":239.25465484519916,"volume_molar":12.00687674135838,"formula_full":"Th4 Re8","formula_reduced":"ThRe2","formula_anonymous":"AB2","energy":-130.36813549,"energy_per_atom":-10.864011290833332,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.36813549,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017853,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.319000Z","spacegroup":194},{"id":"mp-686183","created_at":"2022-09-04T14:39:32.105194Z","structure_string":"Zn1 Bi50 O76\n1.0\n8.954150 0.000000 0.000000\n-2.990175 8.528495 0.000000\n-0.039171 -0.042303 29.542401\nZn Bi O\n1 50 76\ndirect\n0.569104 0.501955 0.249290 Zn\n0.980486 0.685376 0.079263 Bi\n0.575955 0.744512 0.050206 Bi\n0.157098 0.476518 0.160890 Bi\n0.474697 0.189753 0.327566 Bi\n0.760553 0.257884 0.216889 Bi\n0.215308 0.399823 0.037511 Bi\n0.555117 0.424465 0.133274 Bi\n0.075254 0.241680 0.299685 Bi\n0.652031 0.979075 0.410426 Bi\n0.912686 0.051286 0.125770 Bi\n0.271201 0.107940 0.202535 Bi\n0.982633 0.688802 0.582350 Bi\n0.265510 0.768785 0.467078 Bi\n0.755616 0.280538 0.038705 Bi\n0.707728 0.883676 0.289492 Bi\n0.056863 0.919318 0.381178 Bi\n0.350243 0.021311 0.074529 Bi\n0.583241 0.746237 0.549906 Bi\n0.919569 0.724563 0.206395 Bi\n0.412458 0.553441 0.373193 Bi\n0.152809 0.471087 0.663324 Bi\n0.757980 0.596937 0.450097 Bi\n0.478611 0.178676 0.823475 Bi\n0.743743 0.257592 0.718893 Bi\n0.507977 0.841741 0.175010 Bi\n0.259180 0.777468 0.289174 Bi\n0.223225 0.402467 0.540698 Bi\n0.561529 0.436231 0.635794 Bi\n0.848977 0.516878 0.326966 Bi\n0.070250 0.245648 0.799849 Bi\n0.415186 0.212054 0.460002 Bi\n0.908617 0.058350 0.628814 Bi\n0.657594 0.986621 0.909872 Bi\n0.967711 0.001463 0.501623 Bi\n0.273459 0.102375 0.702533 Bi\n0.275930 0.766096 0.963846 Bi\n0.014380 0.347842 0.425727 Bi\n0.753023 0.283485 0.540653 Bi\n0.711405 0.880050 0.790869 Bi\n0.357184 0.019539 0.579063 Bi\n0.060995 0.914726 0.878898 Bi\n0.905232 0.722180 0.706463 Bi\n0.425478 0.552221 0.867517 Bi\n0.756090 0.601418 0.950383 Bi\n0.511688 0.826908 0.676438 Bi\n0.251906 0.769624 0.786979 Bi\n0.829489 0.519298 0.823816 Bi\n0.414273 0.214759 0.957738 Bi\n0.015806 0.363157 0.920972 Bi\n0.967120 0.000361 0.998338 Bi\n0.815326 0.815311 0.092653 O\n0.940588 0.574609 0.153680 O\n0.307353 0.675211 0.028806 O\n0.449034 0.570146 0.098330 O\n0.072278 0.425741 0.093129 O\n0.000417 0.268550 0.189546 O\n0.439436 0.073770 0.403966 O\n0.807026 0.175649 0.280396 O\n0.765568 0.511007 0.060047 O\n0.308691 0.310757 0.156062 O\n0.307382 0.310701 0.343938 O\n0.395586 0.998341 0.499475 O\n0.493178 0.274529 0.252389 O\n0.950710 0.067998 0.347701 O\n0.498425 0.255737 0.067014 O\n0.118440 0.116859 0.053135 O\n0.113041 0.101500 0.444097 O\n0.565166 0.920632 0.342805 O\n0.747978 0.983274 0.184755 O\n0.069142 0.949927 0.156508 O\n0.503250 0.767634 0.438292 O\n0.935284 0.576416 0.652926 O\n0.445014 0.062525 0.162607 O\n0.304818 0.674904 0.529347 O\n0.262719 0.007426 0.308480 O\n0.815586 0.815762 0.407027 O\n0.818374 0.821987 0.588525 O\n0.318936 0.314488 0.838971 O\n0.011505 0.784404 0.501462 O\n0.449865 0.569734 0.596353 O\n0.557526 0.934067 0.088995 O\n0.998535 0.751189 0.316976 O\n0.610667 0.621617 0.304982 O\n0.634898 0.641906 0.681458 O\n0.178154 0.790237 0.222581 O\n0.074208 0.427818 0.593966 O\n0.252287 0.488050 0.433900 O\n0.496957 0.876102 0.250211 O\n0.574888 0.455840 0.402362 O\n0.997198 0.258783 0.687582 O\n0.435672 0.064940 0.905423 O\n0.802688 0.176824 0.781563 O\n0.939639 0.557740 0.410710 O\n0.769284 0.516679 0.558704 O\n0.861534 0.499280 0.249766 O\n0.316858 0.323422 0.658715 O\n0.496159 0.217774 0.749221 O\n0.059638 0.437424 0.335990 O\n0.952583 0.064847 0.847163 O\n0.500798 0.252975 0.564769 O\n0.126214 0.121749 0.553009 O\n0.604269 0.608489 0.191659 O\n0.122399 0.098208 0.944269 O\n0.680478 0.302154 0.472878 O\n0.565044 0.921737 0.843237 O\n0.743931 0.986628 0.686584 O\n0.003596 0.367765 0.500135 O\n0.059418 0.944098 0.655105 O\n0.516661 0.779224 0.942807 O\n0.435537 0.059010 0.656989 O\n0.259243 0.998736 0.809645 O\n0.822255 0.825256 0.910741 O\n0.005203 0.780696 0.004085 O\n0.565460 0.937371 0.587644 O\n0.992928 0.749726 0.816398 O\n0.635218 0.634828 0.818560 O\n0.179634 0.798814 0.721314 O\n0.250231 0.502971 0.935171 O\n0.495518 0.852141 0.751262 O\n0.572807 0.452440 0.904347 O\n0.940349 0.568745 0.911251 O\n0.868108 0.499526 0.749552 O\n0.053546 0.428770 0.841352 O\n0.679799 0.300423 0.972453 O\n0.996769 0.369331 0.000727 O\n0.395783 0.003933 0.001417 O\n","nsites":127,"nelements":3,"elements":["Zn","Bi","O"],"chemical_system":"Bi-O-Zn","density":8.634133333749023,"density_atomic":0.056293877993710745,"volume":2256.017963697379,"volume_molar":10.697683255491485,"formula_full":"Zn1 Bi50 O76","formula_reduced":"Zn(Bi25O38)2","formula_anonymous":"AB50C76","energy":-775.66556441,"energy_per_atom":-6.107602869370079,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-723.45356441,"band_gap":1.9832,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004577,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.245000Z","spacegroup":1},{"id":"mp-763943","created_at":"2022-09-04T14:39:32.118931Z","structure_string":"V6 O7 F5\n1.0\n5.594341 0.000000 0.000000\n1.822642 5.297669 0.000000\n2.270132 1.677990 6.881548\nV O F\n6 7 5\ndirect\n0.672099 0.671377 0.829764 V\n0.330517 0.335255 0.664645 V\n0.673215 0.623707 0.328087 V\n0.335273 0.357422 0.151122 V\n0.980653 0.997140 0.508313 V\n0.010006 0.023087 0.007500 V\n0.030256 0.641567 0.666619 O\n0.235304 0.239215 0.971485 O\n0.431726 0.426340 0.363657 O\n0.300258 0.702448 0.000256 O\n0.622574 0.031642 0.670112 O\n0.983365 0.351286 0.331233 O\n0.694600 0.311080 0.002585 O\n0.373758 0.957675 0.333491 F\n0.572851 0.562117 0.626579 F\n0.888717 0.889735 0.304725 F\n0.090075 0.103622 0.705776 F\n0.774752 0.775288 0.034049 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.173870704536177,"density_atomic":0.08825770022299455,"volume":203.94821023571498,"volume_molar":6.823360165497491,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy":-148.08169854,"energy_per_atom":-8.226761029999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.76269854,"band_gap":0.4301000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0002515,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.305000Z","spacegroup":1},{"id":"mp-1078235","created_at":"2022-09-04T14:39:32.130282Z","structure_string":"Tm3 In3 Pd3\n1.0\n3.896399 -6.748760 0.000000\n3.896399 6.748760 0.000000\n0.000000 0.000000 3.695911\nTm In Pd\n3 3 3\ndirect\n0.405344 0.405344 0.500000 Tm\n0.594656 0.000000 0.500000 Tm\n0.000000 0.594656 0.500000 Tm\n0.735586 0.735586 0.000000 In\n0.264414 0.000000 0.000000 In\n0.000000 0.264414 0.000000 In\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n","nsites":9,"nelements":3,"elements":["Tm","In","Pd"],"chemical_system":"In-Pd-Tm","density":9.999718588679103,"density_atomic":0.04630241061163076,"volume":194.37432913566877,"volume_molar":13.006106335395184,"formula_full":"Tm3 In3 Pd3","formula_reduced":"TmInPd","formula_anonymous":"ABC","energy":-44.52016393,"energy_per_atom":-4.9466848811111115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.52016393,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012953,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.375000Z","spacegroup":189},{"id":"mp-1245077","created_at":"2022-09-04T14:39:32.130569Z","structure_string":"W34 O68\n1.0\n11.814585 0.732219 -0.234491\n0.774530 12.431307 0.120289\n-0.240060 0.116339 11.543077\nW O\n34 68\ndirect\n0.562723 0.977788 0.527162 W\n0.753463 0.204872 0.052274 W\n0.313768 0.608450 0.181020 W\n0.847047 0.692673 0.453577 W\n0.395464 0.202699 0.300791 W\n0.719604 0.098956 0.743816 W\n0.090445 0.213171 0.134063 W\n0.008219 0.244124 0.697047 W\n0.983707 0.874618 0.989021 W\n0.021826 0.989263 0.766359 W\n0.814787 0.654056 0.930924 W\n0.057097 0.834257 0.496401 W\n0.585688 0.259854 0.480821 W\n0.254940 0.312885 0.873505 W\n0.591935 0.588387 0.775800 W\n0.610963 0.434431 0.243806 W\n0.851947 0.132724 0.512612 W\n0.519988 0.351170 0.787021 W\n0.999154 0.493782 0.703314 W\n0.781607 0.835110 0.702899 W\n0.294312 0.524298 0.732657 W\n0.521259 0.910326 0.898156 W\n0.658667 0.730131 0.193385 W\n0.832040 0.431881 0.473365 W\n0.382937 0.469547 0.414205 W\n0.067379 0.221477 0.442115 W\n0.356541 0.043733 0.727606 W\n0.410504 0.827459 0.153572 W\n0.937812 0.015549 0.248711 W\n0.413514 0.770814 0.663057 W\n0.524142 0.187454 0.045787 W\n0.220146 0.859965 0.883530 W\n0.203201 0.011236 0.296455 W\n0.936764 0.378297 0.214258 W\n0.309636 0.146298 0.832518 O\n0.742115 0.701167 0.759316 O\n0.862281 0.020308 0.396952 O\n0.558830 0.422094 0.408950 O\n0.111391 0.292666 0.580550 O\n0.688812 0.562611 0.912523 O\n0.911838 0.268767 0.090578 O\n0.856918 0.964494 0.719878 O\n0.139398 0.537142 0.655820 O\n0.531333 0.642100 0.628902 O\n0.798658 0.093692 0.159339 O\n0.980831 0.734099 0.390189 O\n0.895981 0.791350 0.892000 O\n0.078310 0.357834 0.792386 O\n0.434530 0.678313 0.102226 O\n0.961218 0.016156 0.941236 O\n0.346350 0.961631 0.223488 O\n0.858003 0.167768 0.685705 O\n0.394490 0.307699 0.433975 O\n0.572371 0.835097 0.076295 O\n0.214926 0.573934 0.076918 O\n0.959911 0.499456 0.147600 O\n0.989067 0.173090 0.293595 O\n0.197908 0.775519 0.522277 O\n0.303115 0.679682 0.716338 O\n0.522751 0.148930 0.209159 O\n0.665379 0.947083 0.786297 O\n0.178741 0.100686 0.442081 O\n0.238357 0.168801 0.236837 O\n0.352467 0.359278 0.729994 O\n0.785114 0.399335 0.295255 O\n0.515801 0.799405 0.279094 O\n0.445218 0.300938 0.934694 O\n0.532742 0.060475 0.973387 O\n0.455429 0.853550 0.543012 O\n0.078707 0.923730 0.351190 O\n0.238071 0.485791 0.870562 O\n0.429299 0.477488 0.237767 O\n0.921485 0.892040 0.133439 O\n0.159843 0.274828 0.018356 O\n0.264512 0.563925 0.340958 O\n0.364380 0.505399 0.566183 O\n0.636209 0.318809 0.118354 O\n0.680679 0.094269 0.555231 O\n0.281990 0.768268 0.215236 O\n0.910592 0.779617 0.589528 O\n0.635673 0.436341 0.726137 O\n0.766763 0.275078 0.478103 O\n0.078726 0.125568 0.800651 O\n0.038585 0.962044 0.595504 O\n0.982628 0.367944 0.391330 O\n0.588465 0.210777 0.726518 O\n0.924014 0.561584 0.549589 O\n0.301154 0.898788 0.724420 O\n0.128064 0.813305 0.027082 O\n0.764935 0.172590 0.899126 O\n0.640844 0.577369 0.202050 O\n0.928020 0.566788 0.820113 O\n0.420919 0.065879 0.584213 O\n0.459540 0.517755 0.819638 O\n0.759106 0.763168 0.326739 O\n0.085773 0.041512 0.163635 O\n0.371267 0.880091 0.991498 O\n0.788291 0.691558 0.079960 O\n0.748591 0.575478 0.434291 O\n0.510970 0.757427 0.805828 O\n0.692083 0.855675 0.562140 O\n0.899189 0.385906 0.640625 O\n","nsites":102,"nelements":2,"elements":["W","O"],"chemical_system":"O-W","density":7.219619583395778,"density_atomic":0.06043060660996102,"volume":1687.8864158743515,"volume_molar":9.965381944399258,"formula_full":"W34 O68","formula_reduced":"WO2","formula_anonymous":"AB2","energy":-932.2984359,"energy_per_atom":-9.140180744117647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-734.6904359,"band_gap":0.7636999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":56.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.235000Z","spacegroup":1},{"id":"mp-1182797","created_at":"2022-09-04T14:39:31.849321Z","structure_string":"Ba2 Yb1 Bi1 O6\n1.0\n1.795818 5.115206 8.829508\n-3.542172 4.973505 6.088020\n-1.754944 -5.151830 -2.702856\nBa Yb Bi O\n2 1 1 6\ndirect\n0.509922 0.745431 0.019429 Ba\n0.490078 0.254569 0.980571 Ba\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Bi\n0.923315 0.772793 0.870930 O\n0.485380 0.680022 0.398545 O\n0.934318 0.825101 0.456640 O\n0.076685 0.227207 0.129070 O\n0.514620 0.319978 0.601455 O\n0.065682 0.174899 0.543360 O\n","nsites":10,"nelements":4,"elements":["Ba","Yb","Bi","O"],"chemical_system":"Ba-Bi-O-Yb","density":7.495176064787652,"density_atomic":0.05996911969845583,"volume":166.75248945262564,"volume_molar":10.042069635641267,"formula_full":"Ba2 Yb1 Bi1 O6","formula_reduced":"Ba2YbBiO6","formula_anonymous":"ABC2D6","energy":-64.08098978000001,"energy_per_atom":-6.408098978000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.95898978,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999507,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.640000Z","spacegroup":2},{"id":"mp-1211842","created_at":"2022-09-04T14:39:31.896657Z","structure_string":"K8 Pb4 Cl20\n1.0\n8.189784 0.000000 0.000000\n0.000000 8.872114 0.000000\n0.000000 0.000000 12.862966\nK Pb Cl\n8 4 20\ndirect\n0.546203 0.499525 0.827748 K\n0.453797 0.500475 0.172252 K\n0.046203 0.500475 0.672252 K\n0.453797 0.999525 0.172252 K\n0.953797 0.499525 0.327748 K\n0.546203 0.000475 0.827748 K\n0.953797 0.000475 0.327748 K\n0.046203 0.999525 0.672252 K\n0.570092 0.750000 0.502932 Pb\n0.429908 0.250000 0.497068 Pb\n0.070092 0.250000 0.997068 Pb\n0.929908 0.750000 0.002932 Pb\n0.922094 0.750000 0.513269 Cl\n0.077906 0.250000 0.486731 Cl\n0.422094 0.250000 0.986731 Cl\n0.577906 0.750000 0.013269 Cl\n0.664234 0.041723 0.581620 Cl\n0.335766 0.958277 0.418380 Cl\n0.164234 0.958277 0.918380 Cl\n0.335766 0.541723 0.418380 Cl\n0.835766 0.041723 0.081620 Cl\n0.664234 0.458277 0.581620 Cl\n0.835766 0.458277 0.081620 Cl\n0.164234 0.541723 0.918380 Cl\n0.832413 0.750000 0.797298 Cl\n0.167587 0.250000 0.202702 Cl\n0.332413 0.250000 0.702702 Cl\n0.667587 0.750000 0.297298 Cl\n0.368177 0.750000 0.675284 Cl\n0.631823 0.250000 0.324716 Cl\n0.868177 0.250000 0.824716 Cl\n0.131823 0.750000 0.175284 Cl\n","nsites":32,"nelements":3,"elements":["K","Pb","Cl"],"chemical_system":"Cl-K-Pb","density":3.2880003968643767,"density_atomic":0.03423807156798122,"volume":934.6320786923578,"volume_molar":17.589018552177425,"formula_full":"K8 Pb4 Cl20","formula_reduced":"K2PbCl5","formula_anonymous":"AB2C5","energy":-116.98456931,"energy_per_atom":-3.6557677909375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.70456931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.5208315,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.090000Z","spacegroup":62},{"id":"mp-754646","created_at":"2022-09-04T14:39:32.024149Z","structure_string":"Dy4 Ge4 O14\n1.0\n0.000000 5.011848 5.011848\n5.011848 0.000000 5.011848\n5.011848 5.011848 0.000000\nDy Ge O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Dy\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.125000 0.625000 0.125000 Ge\n0.125000 0.125000 0.625000 Ge\n0.625000 0.125000 0.125000 Ge\n0.125000 0.125000 0.125000 Ge\n0.750000 0.750000 0.750000 O\n0.202959 0.797041 0.797041 O\n0.202959 0.797041 0.202959 O\n0.797041 0.797041 0.202959 O\n0.797041 0.202959 0.797041 O\n0.202959 0.202959 0.797041 O\n0.452959 0.047041 0.047041 O\n0.797041 0.202959 0.202959 O\n0.047041 0.452959 0.047041 O\n0.047041 0.047041 0.452959 O\n0.452959 0.452959 0.047041 O\n0.452959 0.047041 0.452959 O\n0.047041 0.452959 0.452959 O\n0.500000 0.500000 0.500000 O\n","nsites":22,"nelements":3,"elements":["Dy","Ge","O"],"chemical_system":"Dy-Ge-O","density":7.68040576029626,"density_atomic":0.08737737865499999,"volume":251.7814145794484,"volume_molar":6.892105087951611,"formula_full":"Dy4 Ge4 O14","formula_reduced":"Dy2Ge2O7","formula_anonymous":"A2B2C7","energy":-173.26915668,"energy_per_atom":-7.875870758181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.65115668,"band_gap":2.9711,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007241,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.030000Z","spacegroup":227}]}