{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=38","results":[{"id":"mp-1196985","created_at":"2022-09-04T14:39:35.769774Z","structure_string":"B48\n1.0\n7.292925 0.000000 0.000000\n0.000000 7.292925 0.000000\n0.000000 0.000000 7.292925\nB\n48\ndirect\n0.000011 0.859201 0.641296 B\n0.358704 0.000011 0.140799 B\n0.859201 0.358704 0.999989 B\n0.000011 0.140799 0.358704 B\n0.358704 0.999989 0.859201 B\n0.859201 0.641296 0.000011 B\n0.999989 0.859201 0.358704 B\n0.641296 0.000011 0.859201 B\n0.140799 0.358704 0.000011 B\n0.999989 0.140799 0.641296 B\n0.641296 0.999989 0.140799 B\n0.140799 0.641296 0.999989 B\n0.302145 0.500060 0.623780 B\n0.376220 0.302145 0.499940 B\n0.500060 0.376220 0.697855 B\n0.302145 0.499940 0.376220 B\n0.376220 0.697855 0.500060 B\n0.500060 0.623780 0.302145 B\n0.697855 0.500060 0.376220 B\n0.623780 0.302145 0.500060 B\n0.499940 0.376220 0.302145 B\n0.697855 0.499940 0.623780 B\n0.623780 0.697855 0.499940 B\n0.499940 0.623780 0.697855 B\n0.499865 0.218259 0.131228 B\n0.868772 0.499865 0.781741 B\n0.218259 0.868772 0.500135 B\n0.499865 0.781741 0.868772 B\n0.868772 0.500135 0.218259 B\n0.218259 0.131228 0.499865 B\n0.500135 0.218259 0.868772 B\n0.131228 0.499865 0.218259 B\n0.781741 0.868772 0.499865 B\n0.500135 0.781741 0.131228 B\n0.131228 0.500135 0.781741 B\n0.781741 0.131228 0.500135 B\n0.193840 0.999766 0.306496 B\n0.693504 0.193840 0.000234 B\n0.999766 0.693504 0.806160 B\n0.193840 0.000234 0.693504 B\n0.693504 0.806160 0.999766 B\n0.999766 0.306496 0.193840 B\n0.806160 0.999766 0.693504 B\n0.306496 0.193840 0.999766 B\n0.000234 0.693504 0.193840 B\n0.806160 0.000234 0.306496 B\n0.306496 0.806160 0.000234 B\n0.000234 0.306496 0.806160 B\n","nsites":48,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.221523748064862,"density_atomic":0.12374737505459849,"volume":387.887015614044,"volume_molar":4.8664795979251885,"formula_full":"B48","formula_reduced":"B","formula_anonymous":"A","energy":-310.31119198,"energy_per_atom":-6.464816499583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.31119198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7147173,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.917000Z","spacegroup":200},{"id":"mp-1181265","created_at":"2022-09-04T14:41:19.239506Z","structure_string":"H16\n1.0\n6.061511 0.000000 0.000000\n0.000000 6.507494 0.000000\n0.000000 0.000000 9.083183\nH\n16\ndirect\n0.750000 0.114251 0.817708 H\n0.750000 0.385749 0.317708 H\n0.250000 0.885749 0.182292 H\n0.250000 0.614251 0.682292 H\n0.750000 0.204237 0.049089 H\n0.750000 0.295763 0.549089 H\n0.250000 0.795763 0.950911 H\n0.250000 0.704237 0.450911 H\n0.903664 0.205616 0.044758 H\n0.596336 0.294384 0.544758 H\n0.403664 0.794384 0.955242 H\n0.096336 0.705616 0.455242 H\n0.096336 0.794384 0.955242 H\n0.403664 0.705616 0.455242 H\n0.596336 0.205616 0.044758 H\n0.903664 0.294384 0.544758 H\n","nsites":16,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.07474308556607644,"density_atomic":0.04465676352473224,"volume":358.28839210747384,"volume_molar":13.485394562158001,"formula_full":"H16","formula_reduced":"H","formula_anonymous":"A","energy":-35.19699029,"energy_per_atom":-2.199811893125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.19699029,"band_gap":1.5177999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.321000Z","spacegroup":62},{"id":"mp-42","created_at":"2022-09-04T14:45:55.641681Z","structure_string":"Ta30\n1.0\n10.247595 0.000000 0.000000\n0.000000 10.247595 0.000000\n0.000000 0.000000 5.346795\nTa\n30\ndirect\n0.500000 0.000000 0.242766 Ta\n0.000000 0.500000 0.757234 Ta\n0.761328 0.932621 0.243334 Ta\n0.067379 0.761328 0.756666 Ta\n0.932621 0.238672 0.756666 Ta\n0.238672 0.067379 0.243334 Ta\n0.261328 0.567379 0.756666 Ta\n0.738672 0.432621 0.756666 Ta\n0.432621 0.261328 0.243334 Ta\n0.567379 0.738672 0.243334 Ta\n0.034779 0.871117 0.257104 Ta\n0.128883 0.034779 0.742896 Ta\n0.871117 0.965221 0.742896 Ta\n0.965221 0.128883 0.257104 Ta\n0.534779 0.628883 0.742896 Ta\n0.465221 0.371117 0.742896 Ta\n0.371117 0.534779 0.257104 Ta\n0.628883 0.465221 0.257104 Ta\n0.604817 0.895183 0.740514 Ta\n0.104817 0.604817 0.259486 Ta\n0.895183 0.395183 0.259486 Ta\n0.395183 0.104817 0.740514 Ta\n0.818988 0.681012 0.002362 Ta\n0.318988 0.818988 0.997638 Ta\n0.681012 0.181012 0.997638 Ta\n0.181012 0.318988 0.002362 Ta\n0.318717 0.818717 0.499279 Ta\n0.181283 0.318717 0.500721 Ta\n0.818717 0.681283 0.500721 Ta\n0.681283 0.181283 0.499279 Ta\n","nsites":30,"nelements":1,"elements":["Ta"],"chemical_system":"Ta","density":16.05411656414693,"density_atomic":0.053429832811609054,"volume":561.4840702530086,"volume_molar":11.271120351871154,"formula_full":"Ta30","formula_reduced":"Ta","formula_anonymous":"A","energy":-355.52333963,"energy_per_atom":-11.850777987666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-355.52333963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043754,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.718000Z","spacegroup":113},{"id":"mp-1245320","created_at":"2022-09-04T14:40:03.821186Z","structure_string":"Ti100\n1.0\n11.841932 0.065058 0.087674\n0.059780 12.366594 -0.075703\n0.095018 -0.083665 11.978790\nTi\n100\ndirect\n0.968692 0.918557 0.834264 Ti\n0.637536 0.862799 0.236097 Ti\n0.417074 0.561989 0.429323 Ti\n0.125084 0.291181 0.388425 Ti\n0.545101 0.368721 0.515056 Ti\n0.475967 0.714488 0.254041 Ti\n0.130266 0.753435 0.849028 Ti\n0.144659 0.555756 0.735097 Ti\n0.265625 0.373403 0.848229 Ti\n0.008638 0.919218 0.228231 Ti\n0.126854 0.836411 0.066910 Ti\n0.840561 0.533083 0.308318 Ti\n0.910248 0.852025 0.521552 Ti\n0.637886 0.566363 0.405780 Ti\n0.113637 0.957422 0.426365 Ti\n0.729106 0.187370 0.449420 Ti\n0.062217 0.129899 0.253610 Ti\n0.419785 0.368331 0.020515 Ti\n0.569361 0.447641 0.839859 Ti\n0.935146 0.096005 0.447087 Ti\n0.710960 0.355235 0.265314 Ti\n0.730682 0.627619 0.898057 Ti\n0.630411 0.040596 0.757866 Ti\n0.158070 0.203557 0.990142 Ti\n0.995730 0.045742 0.035209 Ti\n0.715774 0.756133 0.646097 Ti\n0.616619 0.087994 0.271102 Ti\n0.482692 0.952003 0.380686 Ti\n0.470367 0.287021 0.726072 Ti\n0.330286 0.674793 0.642457 Ti\n0.182565 0.578528 0.967962 Ti\n0.883099 0.638279 0.511943 Ti\n0.667645 0.451274 0.043213 Ti\n0.608086 0.250092 0.112212 Ti\n0.363707 0.464686 0.633162 Ti\n0.062979 0.395174 0.991818 Ti\n0.486286 0.472455 0.221398 Ti\n0.505644 0.748118 0.488396 Ti\n0.511340 0.886040 0.652466 Ti\n0.312873 0.987329 0.538585 Ti\n0.674241 0.625298 0.180149 Ti\n0.130267 0.144669 0.551644 Ti\n0.827023 0.134634 0.212248 Ti\n0.721379 0.765883 0.416553 Ti\n0.462974 0.937412 0.901992 Ti\n0.611853 0.788573 0.027972 Ti\n0.857162 0.024273 0.658794 Ti\n0.431668 0.902763 0.127452 Ti\n0.380275 0.163693 0.926096 Ti\n0.569746 0.567375 0.630457 Ti\n0.919074 0.710156 0.744392 Ti\n0.799230 0.100046 0.890014 Ti\n0.306614 0.396708 0.378660 Ti\n0.210555 0.986813 0.900652 Ti\n0.629779 0.027216 0.033466 Ti\n0.865625 0.738751 0.232580 Ti\n0.031517 0.342141 0.191023 Ti\n0.905966 0.304945 0.368428 Ti\n0.607934 0.223665 0.894290 Ti\n0.267521 0.879015 0.276460 Ti\n0.106823 0.963006 0.663569 Ti\n0.531720 0.723434 0.809808 Ti\n0.983950 0.475474 0.575133 Ti\n0.732641 0.863838 0.858168 Ti\n0.277533 0.776475 0.456712 Ti\n0.856581 0.266390 0.055001 Ti\n0.169721 0.362646 0.603944 Ti\n0.327434 0.758827 0.987611 Ti\n0.308363 0.108576 0.340459 Ti\n0.275003 0.263678 0.186657 Ti\n0.950583 0.547862 0.881253 Ti\n0.367186 0.573635 0.841189 Ti\n0.767802 0.413902 0.503571 Ti\n0.404676 0.069959 0.721985 Ti\n0.470505 0.591071 0.039632 Ti\n0.682769 0.967550 0.519102 Ti\n0.188581 0.573776 0.498051 Ti\n0.812036 0.357496 0.874939 Ti\n0.059359 0.635642 0.146141 Ti\n0.312183 0.856471 0.751313 Ti\n0.096747 0.743358 0.605899 Ti\n0.219624 0.029986 0.119010 Ti\n0.812368 0.911412 0.085275 Ti\n0.813912 0.953660 0.336003 Ti\n0.062784 0.511445 0.336337 Ti\n0.207355 0.175160 0.757786 Ti\n0.344060 0.230906 0.544348 Ti\n0.266155 0.653471 0.247423 Ti\n0.060984 0.740786 0.364298 Ti\n0.029063 0.357727 0.774861 Ti\n0.433981 0.116792 0.139788 Ti\n0.531025 0.136393 0.533693 Ti\n0.790747 0.498740 0.709044 Ti\n0.923289 0.747837 0.982549 Ti\n0.239493 0.464825 0.151960 Ti\n0.887090 0.500997 0.091994 Ti\n0.931113 0.264652 0.596926 Ti\n0.724298 0.235958 0.691443 Ti\n0.486554 0.262246 0.321184 Ti\n0.985100 0.142422 0.799048 Ti\n","nsites":100,"nelements":1,"elements":["Ti"],"chemical_system":"Ti","density":4.531641287765111,"density_atomic":0.05701251742992054,"volume":1754.000779266052,"volume_molar":10.562839585889853,"formula_full":"Ti100","formula_reduced":"Ti","formula_anonymous":"A","energy":-774.03900131,"energy_per_atom":-7.7403900131,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-774.03900131,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0153928,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.656000Z","spacegroup":1},{"id":"mp-1062055","created_at":"2022-09-04T14:43:05.784293Z","structure_string":"Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n","nsites":3,"nelements":1,"elements":["Br"],"chemical_system":"Br","density":4.104822986646732,"density_atomic":0.030936901568147854,"volume":96.97157271524414,"volume_molar":19.465882020325854,"formula_full":"Br3","formula_reduced":"Br","formula_anonymous":"A","energy":-3.11029283,"energy_per_atom":-1.0367642766666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.11029283,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.63101,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.895000Z","spacegroup":221},{"id":"mp-1057273","created_at":"2022-09-04T14:46:41.970948Z","structure_string":"Pb2\n1.0\n-1.821154 -3.154331 0.000000\n1.821154 -3.154331 0.000000\n0.000000 -2.102887 6.062357\nPb\n2\ndirect\n0.098344 0.098344 0.704969 Pb\n0.901656 0.901656 0.295031 Pb\n","nsites":2,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":9.87969198211149,"density_atomic":0.028714718051293272,"volume":69.65069259699462,"volume_molar":20.97231374252958,"formula_full":"Pb2","formula_reduced":"Pb","formula_anonymous":"A","energy":-7.21175823,"energy_per_atom":-3.605879115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.21175823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001925,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.441000Z","spacegroup":166},{"id":"mp-165","created_at":"2022-09-04T14:47:00.290985Z","structure_string":"Si4\n1.0\n1.925241 -3.334615 0.000000\n1.925241 3.334615 0.000000\n0.000000 0.000000 6.365686\nSi\n4\ndirect\n0.333333 0.666667 0.062956 Si\n0.666667 0.333333 0.562956 Si\n0.333333 0.666667 0.437044 Si\n0.666667 0.333333 0.937044 Si\n","nsites":4,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.2823657389088443,"density_atomic":0.04893887504320861,"volume":81.73461274842057,"volume_molar":12.305433573376979,"formula_full":"Si4","formula_reduced":"Si","formula_anonymous":"A","energy":-21.64758708,"energy_per_atom":-5.41189677,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.64758708,"band_gap":0.4651999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003076,"is_theoretical":false,"updated_at":"2021-11-28T01:37:47.219000Z","spacegroup":194},{"id":"mp-10018","created_at":"2022-09-04T14:42:04.680859Z","structure_string":"Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n","nsites":1,"nelements":1,"elements":["Ac"],"chemical_system":"Ac","density":8.305512650126095,"density_atomic":0.022033905850354526,"volume":45.38459984315082,"volume_molar":27.331244859172816,"formula_full":"Ac1","formula_reduced":"Ac","formula_anonymous":"A","energy":-4.10076552,"energy_per_atom":-4.10076552,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.10076552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016823,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.982000Z","spacegroup":225},{"id":"mp-975204","created_at":"2022-09-04T14:40:40.967739Z","structure_string":"Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n","nsites":2,"nelements":1,"elements":["Rb"],"chemical_system":"Rb","density":1.554570124248827,"density_atomic":0.01095364583240984,"volume":182.58760878340294,"volume_molar":54.97841405627324,"formula_full":"Rb2","formula_reduced":"Rb","formula_anonymous":"A","energy":-1.93738593,"energy_per_atom":-0.968692965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.93738593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0221897,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.617000Z","spacegroup":63},{"id":"mp-137","created_at":"2022-09-04T14:39:17.941879Z","structure_string":"Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n","nsites":12,"nelements":1,"elements":["Ge"],"chemical_system":"Ge","density":5.608375747078466,"density_atomic":0.04649563352911399,"volume":258.0887513337356,"volume_molar":12.952056575869946,"formula_full":"Ge12","formula_reduced":"Ge","formula_anonymous":"A","energy":-53.68365537999999,"energy_per_atom":-4.473637948333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.68365537999999,"band_gap":0.3433000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0044362,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.185000Z","spacegroup":96},{"id":"mp-134","created_at":"2022-09-04T14:47:09.666421Z","structure_string":"Al1\n1.0\n0.000000 2.019465 2.019465\n2.019465 0.000000 2.019465\n2.019465 2.019465 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n","nsites":1,"nelements":1,"elements":["Al"],"chemical_system":"Al","density":2.7200495853324616,"density_atomic":0.060710108958398956,"volume":16.471721384740732,"volume_molar":9.919502473841082,"formula_full":"Al1","formula_reduced":"Al","formula_anonymous":"A","energy":-3.74557583,"energy_per_atom":-3.74557583,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74557583,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004155,"is_theoretical":false,"updated_at":"2021-11-28T01:37:53.724000Z","spacegroup":225},{"id":"mp-1077335","created_at":"2022-09-04T14:41:56.460359Z","structure_string":"U6\n1.0\n3.561406 4.160613 0.000000\n-3.561406 4.160613 0.000000\n0.000000 3.653785 4.226166\nU\n6\ndirect\n0.178769 0.821231 0.250000 U\n0.821231 0.178769 0.750000 U\n0.195622 0.360741 0.870062 U\n0.639259 0.804378 0.629938 U\n0.804378 0.639259 0.129938 U\n0.360741 0.195622 0.370062 U\n","nsites":6,"nelements":1,"elements":["U"],"chemical_system":"U","density":18.935409451040684,"density_atomic":0.04790666020434587,"volume":125.24354597893067,"volume_molar":12.570571052777542,"formula_full":"U6","formula_reduced":"U","formula_anonymous":"A","energy":-66.05981717,"energy_per_atom":-11.009969528333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.05981717,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.79005,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.984000Z","spacegroup":15}]}