{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=57","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=55","results":[{"id":"mp-778168","created_at":"2022-09-04T14:48:30.845039Z","structure_string":"Li2 V4 P4 H2 O18\n1.0\n6.779621 0.000000 0.000000\n0.000000 6.478204 0.000000\n0.000000 2.788764 8.299836\nLi V P H O\n2 4 4 2 18\ndirect\n0.250000 0.097992 0.168237 Li\n0.750000 0.902008 0.831763 Li\n0.250000 0.477488 0.707653 V\n0.750000 0.522512 0.292347 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.250000 0.921433 0.801484 P\n0.750000 0.584857 0.658662 P\n0.250000 0.415143 0.341338 P\n0.750000 0.078567 0.198516 P\n0.750000 0.039374 0.463406 H\n0.250000 0.960626 0.536594 H\n0.439281 0.831255 0.895501 O\n0.060719 0.831255 0.895501 O\n0.750000 0.833230 0.618148 O\n0.250000 0.834713 0.645532 O\n0.750000 0.833599 0.262705 O\n0.250000 0.411364 0.955557 O\n0.560451 0.488620 0.763900 O\n0.939549 0.488620 0.763900 O\n0.250000 0.517151 0.477395 O\n0.750000 0.482849 0.522605 O\n0.439549 0.511380 0.236100 O\n0.060451 0.511380 0.236100 O\n0.750000 0.588636 0.044443 O\n0.250000 0.166401 0.737295 O\n0.750000 0.165287 0.354468 O\n0.250000 0.166770 0.381852 O\n0.939281 0.168745 0.104499 O\n0.560719 0.168745 0.104499 O\n","nsites":30,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":2.87690818882226,"density_atomic":0.0822984597905649,"volume":364.5268705677448,"volume_molar":7.317440417870869,"formula_full":"Li2 V4 P4 H2 O18","formula_reduced":"LiV2P2HO9","formula_anonymous":"ABC2D2E9","energy":-232.80505618,"energy_per_atom":-7.760168539333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.63905618,"band_gap":0.8733999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.625000Z","spacegroup":11},{"id":"mp-625950","created_at":"2022-09-04T14:48:29.072175Z","structure_string":"Te1 H6 O6\n1.0\n-2.774573 2.774573 4.474846\n2.774573 -2.774573 4.474846\n2.774573 2.774573 -4.474846\nTe H O\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.684300 0.684300 0.000000 H\n0.401316 0.803434 0.204750 H\n0.196566 0.401316 0.597882 H\n0.315700 0.315700 0.000000 H\n0.598684 0.196566 0.795250 H\n0.803434 0.598684 0.402118 H\n0.791237 0.791237 0.000000 O\n0.234949 0.738927 0.973876 O\n0.261073 0.234949 0.496023 O\n0.208763 0.208763 0.000000 O\n0.765051 0.261073 0.026124 O\n0.738927 0.765051 0.503977 O\n","nsites":13,"nelements":3,"elements":["Te","H","O"],"chemical_system":"H-O-Te","density":2.7674123797067582,"density_atomic":0.09434371110400248,"volume":137.7940283234044,"volume_molar":6.3831925726997545,"formula_full":"Te1 H6 O6","formula_reduced":"Te(HO)6","formula_anonymous":"AB6C6","energy":-67.72470072,"energy_per_atom":-5.209592363076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.60270072,"band_gap":1.5729,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.92e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.589000Z","spacegroup":87},{"id":"mp-775207","created_at":"2022-09-04T14:48:30.348669Z","structure_string":"Li4 Cr1 P6 H8 O22\n1.0\n7.047059 0.000000 0.000000\n0.776632 7.528802 0.000000\n1.855142 0.483812 8.252292\nLi Cr P H O\n4 1 6 8 22\ndirect\n0.928944 0.650345 0.418269 Li\n0.675214 0.562163 0.766815 Li\n0.324786 0.437837 0.233185 Li\n0.071056 0.349655 0.581731 Li\n0.000000 0.000000 0.000000 Cr\n0.780048 0.978429 0.694991 P\n0.554189 0.781261 0.168449 P\n0.339439 0.708128 0.494913 P\n0.660561 0.291872 0.505087 P\n0.445811 0.218739 0.831551 P\n0.219952 0.021571 0.305009 P\n0.256412 0.762634 0.811847 H\n0.272061 0.731885 0.995162 H\n0.968760 0.609579 0.119078 H\n0.031052 0.587407 0.813980 H\n0.968948 0.412593 0.186020 H\n0.031240 0.390421 0.880922 H\n0.727939 0.268115 0.004838 H\n0.743588 0.237366 0.188153 H\n0.434582 0.977080 0.189252 O\n0.242054 0.909990 0.473143 O\n0.804112 0.785527 0.660509 O\n0.069520 0.942153 0.236596 O\n0.762705 0.805974 0.095300 O\n0.176620 0.774001 0.925283 O\n0.540876 0.712598 0.358343 O\n0.395167 0.683964 0.655354 O\n0.447665 0.658522 0.093606 O\n0.978836 0.475069 0.803452 O\n0.208298 0.580685 0.451509 O\n0.791702 0.419315 0.548491 O\n0.021164 0.524931 0.196548 O\n0.552335 0.341478 0.906394 O\n0.604833 0.316036 0.344646 O\n0.459124 0.287402 0.641657 O\n0.823380 0.225999 0.074717 O\n0.237295 0.194026 0.904700 O\n0.930480 0.057847 0.763404 O\n0.195888 0.214473 0.339491 O\n0.757946 0.090010 0.526857 O\n0.565418 0.022920 0.810748 O\n","nsites":41,"nelements":5,"elements":["Li","Cr","P","H","O"],"chemical_system":"Cr-H-Li-O-P","density":2.372871680695328,"density_atomic":0.0936430362554127,"volume":437.832877269933,"volume_molar":6.430954186037417,"formula_full":"Li4 Cr1 P6 H8 O22","formula_reduced":"Li4CrP6(H4O11)2","formula_anonymous":"AB4C6D8E22","energy":-276.62443396,"energy_per_atom":-6.746937413658536,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-259.51143396,"band_gap":2.736,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9991117,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.587000Z","spacegroup":2},{"id":"mp-574021","created_at":"2022-09-04T14:48:30.308235Z","structure_string":"Ce2 Zn1 Ni2\n1.0\n-2.200585 2.726504 3.902427\n2.200585 -2.726504 3.902427\n2.200585 2.726504 -3.902427\nCe Zn Ni\n2 1 2\ndirect\n0.701308 0.201308 0.500000 Ce\n0.298692 0.798692 0.500000 Ce\n0.000000 0.000000 0.000000 Zn\n0.733727 0.500000 0.233727 Ni\n0.266273 0.500000 0.766273 Ni\n","nsites":5,"nelements":3,"elements":["Ce","Zn","Ni"],"chemical_system":"Ce-Ni-Zn","density":8.209507378789173,"density_atomic":0.053386437080464755,"volume":93.65674642164137,"volume_molar":11.280282201495014,"formula_full":"Ce2 Zn1 Ni2","formula_reduced":"Ce2ZnNi2","formula_anonymous":"AB2C2","energy":-26.47060638,"energy_per_atom":-5.294121276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.47060638,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042733,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.587000Z","spacegroup":71},{"id":"mp-935266","created_at":"2022-09-04T14:48:30.080202Z","structure_string":"Li1 C2 N1 O6\n1.0\n5.145621 -2.270073 0.000000\n5.145621 2.270073 0.000000\n4.144142 0.000000 3.802202\nLi C N O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.240723 0.240723 0.240723 C\n0.759277 0.759277 0.759277 C\n0.500000 0.500000 0.500000 N\n0.744250 0.047451 0.476436 O\n0.952549 0.523564 0.255750 O\n0.523564 0.255750 0.952549 O\n0.476436 0.744250 0.047451 O\n0.047451 0.476436 0.744250 O\n0.255750 0.952549 0.523564 O\n","nsites":10,"nelements":4,"elements":["Li","C","N","O"],"chemical_system":"C-Li-N-O","density":2.6352336867427746,"density_atomic":0.11257895160548488,"volume":88.82655112159347,"volume_molar":5.349259940795717,"formula_full":"Li1 C2 N1 O6","formula_reduced":"LiC2NO6","formula_anonymous":"ABC2D6","energy":-67.85772383,"energy_per_atom":-6.785772382999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.73572383,"band_gap":1.3392000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.72e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.571000Z","spacegroup":148},{"id":"mp-1196803","created_at":"2022-09-04T14:48:30.244367Z","structure_string":"C256 Cl16\n1.0\n0.000000 0.000000 -13.362591\n0.000000 -14.792775 0.000000\n-16.982883 0.000000 0.000000\nC Cl\n256 16\ndirect\n0.419149 0.983749 0.159528 C\n0.080851 0.516251 0.659528 C\n0.580851 0.483749 0.840472 C\n0.919149 0.016251 0.340472 C\n0.580851 0.016251 0.840472 C\n0.919149 0.483749 0.340472 C\n0.419149 0.516251 0.159528 C\n0.080851 0.983749 0.659528 C\n0.822517 0.750000 0.117543 C\n0.677483 0.750000 0.617543 C\n0.177483 0.250000 0.882457 C\n0.322517 0.250000 0.382457 C\n0.580620 0.956206 0.222469 C\n0.919380 0.543794 0.722469 C\n0.419380 0.456207 0.777531 C\n0.080620 0.043793 0.277531 C\n0.419380 0.043793 0.777531 C\n0.080620 0.456207 0.277531 C\n0.580620 0.543794 0.222469 C\n0.919380 0.956206 0.722469 C\n0.556875 0.750000 0.380426 C\n0.943125 0.750000 0.880426 C\n0.443125 0.250000 0.619574 C\n0.056875 0.250000 0.119574 C\n0.644508 0.750000 0.333894 C\n0.855492 0.750000 0.833894 C\n0.355492 0.250000 0.666106 C\n0.144508 0.250000 0.166106 C\n0.254514 0.750000 0.049524 C\n0.245486 0.750000 0.549524 C\n0.745486 0.250000 0.950476 C\n0.754514 0.250000 0.450476 C\n0.315575 0.954574 0.164308 C\n0.184425 0.545426 0.664308 C\n0.684425 0.454574 0.835692 C\n0.815575 0.045426 0.335692 C\n0.684425 0.045426 0.835692 C\n0.815575 0.454574 0.335692 C\n0.315575 0.545426 0.164308 C\n0.184425 0.954574 0.664308 C\n0.381718 0.904659 0.044249 C\n0.118282 0.595341 0.544249 C\n0.618282 0.404659 0.955751 C\n0.881718 0.095341 0.455751 C\n0.618282 0.095341 0.955751 C\n0.881718 0.404659 0.455751 C\n0.381718 0.595341 0.044249 C\n0.118282 0.904659 0.544249 C\n0.477783 0.985261 0.227339 C\n0.022217 0.514739 0.727339 C\n0.522217 0.485261 0.772661 C\n0.977783 0.014739 0.272661 C\n0.522217 0.014739 0.772661 C\n0.977783 0.485261 0.272661 C\n0.477783 0.514739 0.227339 C\n0.022217 0.985261 0.727339 C\n0.461270 0.951227 0.086000 C\n0.038730 0.548773 0.586000 C\n0.538730 0.451227 0.914000 C\n0.961270 0.048773 0.414000 C\n0.538730 0.048773 0.914000 C\n0.961270 0.451227 0.414000 C\n0.461270 0.548773 0.086000 C\n0.038730 0.951227 0.586000 C\n0.585590 0.847524 0.026951 C\n0.914410 0.652476 0.526951 C\n0.414410 0.347524 0.973049 C\n0.085590 0.152476 0.473049 C\n0.414410 0.152476 0.973049 C\n0.085590 0.347524 0.473049 C\n0.585590 0.652476 0.026951 C\n0.914410 0.847524 0.526951 C\n0.403800 0.828801 0.998888 C\n0.096200 0.671199 0.498888 C\n0.596200 0.328801 0.001112 C\n0.903800 0.171199 0.501112 C\n0.596200 0.171199 0.001112 C\n0.903800 0.328801 0.501112 C\n0.403800 0.671199 0.998888 C\n0.096200 0.828801 0.498888 C\n0.761578 0.834995 0.085586 C\n0.738422 0.665005 0.585586 C\n0.238422 0.334995 0.914414 C\n0.261578 0.165005 0.414414 C\n0.238422 0.165005 0.914414 C\n0.261578 0.334995 0.414414 C\n0.761578 0.665005 0.085586 C\n0.738422 0.834995 0.585586 C\n0.506389 0.799268 0.991891 C\n0.993611 0.700732 0.491891 C\n0.493611 0.299268 0.008109 C\n0.006389 0.200732 0.508109 C\n0.493611 0.200732 0.008109 C\n0.006389 0.299268 0.508109 C\n0.506389 0.700732 0.991891 C\n0.993611 0.799268 0.491891 C\n0.276224 0.925527 0.236351 C\n0.223776 0.574473 0.736351 C\n0.723776 0.425527 0.763649 C\n0.776224 0.074473 0.263649 C\n0.723776 0.074473 0.763649 C\n0.776224 0.425527 0.263649 C\n0.276224 0.574473 0.236351 C\n0.223776 0.925527 0.736351 C\n0.313664 0.846431 0.352652 C\n0.186336 0.653569 0.852652 C\n0.686336 0.346431 0.647348 C\n0.813664 0.153569 0.147348 C\n0.686336 0.153569 0.647348 C\n0.813664 0.346431 0.147348 C\n0.313664 0.653569 0.352652 C\n0.186336 0.846431 0.852652 C\n0.337989 0.926000 0.306541 C\n0.162011 0.574000 0.806541 C\n0.662011 0.426000 0.693459 C\n0.837989 0.074000 0.193459 C\n0.662011 0.074000 0.693459 C\n0.837989 0.426000 0.193459 C\n0.337989 0.574000 0.306541 C\n0.162011 0.926000 0.806541 C\n0.625091 0.931215 0.150489 C\n0.874909 0.568785 0.650489 C\n0.374909 0.431215 0.849511 C\n0.125091 0.068785 0.349511 C\n0.374909 0.068785 0.849511 C\n0.125091 0.431215 0.349511 C\n0.625091 0.568785 0.150489 C\n0.874909 0.931215 0.650489 C\n0.339681 0.750000 0.001987 C\n0.160319 0.750000 0.501987 C\n0.660319 0.250000 0.998013 C\n0.839681 0.250000 0.498013 C\n0.802054 0.750000 0.210027 C\n0.697946 0.750000 0.710027 C\n0.197946 0.250000 0.789973 C\n0.302054 0.250000 0.289973 C\n0.492565 0.828957 0.385794 C\n0.007435 0.671043 0.885794 C\n0.507435 0.328957 0.614206 C\n0.992565 0.171043 0.114206 C\n0.507435 0.171043 0.614206 C\n0.992565 0.328957 0.114206 C\n0.492565 0.671043 0.385794 C\n0.007435 0.828957 0.885794 C\n0.436974 0.955745 0.302055 C\n0.063026 0.544255 0.802055 C\n0.563026 0.455745 0.697945 C\n0.936974 0.044255 0.197945 C\n0.563026 0.044255 0.697945 C\n0.936974 0.455745 0.197945 C\n0.436974 0.544255 0.302055 C\n0.063026 0.955745 0.802055 C\n0.389454 0.798985 0.391888 C\n0.110546 0.701015 0.891888 C\n0.610546 0.298985 0.608112 C\n0.889454 0.201015 0.108112 C\n0.610546 0.201015 0.608112 C\n0.889454 0.298985 0.108112 C\n0.389454 0.701015 0.391888 C\n0.110546 0.798985 0.891888 C\n0.675669 0.796822 0.039142 C\n0.824331 0.703178 0.539142 C\n0.324331 0.296822 0.960858 C\n0.175669 0.203178 0.460857 C\n0.324331 0.203178 0.960858 C\n0.175669 0.296822 0.460857 C\n0.675669 0.703178 0.039142 C\n0.824331 0.796822 0.539142 C\n0.671518 0.834076 0.292992 C\n0.828482 0.665924 0.792992 C\n0.328482 0.334076 0.707008 C\n0.171518 0.165924 0.207008 C\n0.328482 0.165924 0.707008 C\n0.171518 0.334076 0.207008 C\n0.671518 0.665924 0.292992 C\n0.828482 0.834076 0.792992 C\n0.713667 0.877047 0.156912 C\n0.786333 0.622953 0.656912 C\n0.286333 0.377047 0.843088 C\n0.213667 0.122953 0.343088 C\n0.286333 0.122953 0.843088 C\n0.213667 0.377047 0.343088 C\n0.713667 0.622953 0.156912 C\n0.786333 0.877047 0.656912 C\n0.735869 0.830273 0.225443 C\n0.764131 0.669727 0.725443 C\n0.264131 0.330273 0.774557 C\n0.235869 0.169727 0.274557 C\n0.264131 0.169727 0.774557 C\n0.235869 0.330273 0.274557 C\n0.735869 0.669727 0.225443 C\n0.764131 0.830273 0.725443 C\n0.515120 0.906400 0.342671 C\n0.984880 0.593600 0.842671 C\n0.484880 0.406400 0.657329 C\n0.015120 0.093600 0.157329 C\n0.484880 0.093600 0.657329 C\n0.015120 0.406400 0.157329 C\n0.515120 0.593600 0.342671 C\n0.984880 0.906400 0.842671 C\n0.292253 0.905716 0.092788 C\n0.207747 0.594284 0.592788 C\n0.707747 0.405716 0.907212 C\n0.792253 0.094284 0.407212 C\n0.707747 0.094284 0.907212 C\n0.792253 0.405716 0.407212 C\n0.292253 0.594284 0.092788 C\n0.207747 0.905716 0.592788 C\n0.603954 0.907102 0.294403 C\n0.896046 0.592898 0.794403 C\n0.396046 0.407102 0.705597 C\n0.103954 0.092898 0.205597 C\n0.396046 0.092898 0.705597 C\n0.103954 0.407102 0.205597 C\n0.603954 0.592898 0.294403 C\n0.896046 0.907102 0.794403 C\n0.230093 0.829517 0.095746 C\n0.269907 0.670483 0.595746 C\n0.769907 0.329517 0.904254 C\n0.730093 0.170483 0.404254 C\n0.769907 0.170483 0.904254 C\n0.730093 0.329517 0.404254 C\n0.230093 0.670483 0.095746 C\n0.269907 0.829517 0.595746 C\n0.212590 0.846307 0.239562 C\n0.287410 0.653693 0.739562 C\n0.787410 0.346307 0.760438 C\n0.712590 0.153693 0.260438 C\n0.787410 0.153693 0.760438 C\n0.712590 0.346307 0.260438 C\n0.212590 0.653693 0.239562 C\n0.287410 0.846307 0.739562 C\n0.235816 0.797317 0.311411 C\n0.264184 0.702683 0.811411 C\n0.764184 0.297317 0.688589 C\n0.735816 0.202683 0.188589 C\n0.764184 0.202683 0.688589 C\n0.735816 0.297317 0.188589 C\n0.235816 0.702683 0.311411 C\n0.264184 0.797317 0.811411 C\n0.190127 0.799127 0.170534 C\n0.309873 0.700873 0.670534 C\n0.809873 0.299127 0.829466 C\n0.690127 0.200873 0.329466 C\n0.809873 0.200873 0.829466 C\n0.690127 0.299127 0.329466 C\n0.190127 0.700873 0.170534 C\n0.309873 0.799127 0.670534 C\n0.562078 0.923180 0.080129 C\n0.937922 0.576820 0.580129 C\n0.437922 0.423180 0.919871 C\n0.062078 0.076820 0.419871 C\n0.437922 0.076820 0.919871 C\n0.062078 0.423180 0.419871 C\n0.562078 0.576820 0.080129 C\n0.937922 0.923180 0.580129 C\n0.949581 0.750000 0.092243 Cl\n0.550419 0.750000 0.592243 Cl\n0.050419 0.250000 0.907757 Cl\n0.449581 0.250000 0.407757 Cl\n0.911843 0.750000 0.272575 Cl\n0.588157 0.750000 0.772575 Cl\n0.088157 0.250000 0.727425 Cl\n0.411843 0.250000 0.227425 Cl\n0.831647 0.915940 0.027674 Cl\n0.668353 0.584060 0.527674 Cl\n0.168353 0.415940 0.972326 Cl\n0.331647 0.084060 0.472326 Cl\n0.168353 0.084060 0.972326 Cl\n0.331647 0.415940 0.472326 Cl\n0.831647 0.584060 0.027674 Cl\n0.668353 0.915940 0.527674 Cl\n","nsites":272,"nelements":2,"elements":["C","Cl"],"chemical_system":"C-Cl","density":1.8015062265447945,"density_atomic":0.0810246491191675,"volume":3357.003121358222,"volume_molar":7.432479900212711,"formula_full":"C256 Cl16","formula_reduced":"C16Cl","formula_anonymous":"AB16","energy":-2315.06746391,"energy_per_atom":-8.511277440845587,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2305.24346391,"band_gap":1.3189000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.7e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.564000Z","spacegroup":62},{"id":"mp-1223744","created_at":"2022-09-04T14:48:29.868533Z","structure_string":"K2 Mg5 Cu3 As6 O24\n1.0\n-0.010003 0.007772 -6.906644\n-5.641559 -6.429932 2.472979\n-5.673360 6.452328 2.458503\nK Mg Cu As O\n2 5 3 6 24\ndirect\n0.250044 0.985935 0.014868 K\n0.751452 0.017758 0.984571 K\n0.249339 0.257004 0.744076 Mg\n0.749657 0.741927 0.257581 Mg\n0.367907 0.939455 0.622964 Mg\n0.865723 0.620669 0.938529 Mg\n0.632977 0.062195 0.377820 Mg\n0.249838 0.503474 0.498276 Cu\n0.749213 0.497219 0.502187 Cu\n0.145106 0.384230 0.068811 Cu\n0.372429 0.645887 0.878575 As\n0.129631 0.124132 0.351928 As\n0.627980 0.352155 0.122052 As\n0.870704 0.877684 0.647996 As\n0.750624 0.284677 0.715865 As\n0.249115 0.715761 0.283514 As\n0.382905 0.327560 0.988257 O\n0.117671 0.008661 0.669876 O\n0.617810 0.670939 0.009534 O\n0.883387 0.991776 0.328879 O\n0.236269 0.514192 0.277405 O\n0.261144 0.723256 0.482226 O\n0.761077 0.483775 0.724187 O\n0.738715 0.275836 0.516812 O\n0.186553 0.277182 0.500307 O\n0.314041 0.498974 0.724483 O\n0.814252 0.724463 0.499300 O\n0.685542 0.500557 0.276138 O\n0.816480 0.407378 0.027124 O\n0.678345 0.970046 0.593284 O\n0.178584 0.590001 0.973644 O\n0.319347 0.029165 0.404827 O\n0.976036 0.248414 0.824033 O\n0.522277 0.172626 0.748325 O\n0.023460 0.749431 0.172817 O\n0.476636 0.826427 0.250361 O\n0.624675 0.175423 0.186524 O\n0.874922 0.813878 0.824311 O\n0.372417 0.822297 0.814953 O\n0.125714 0.187581 0.172780 O\n","nsites":40,"nelements":5,"elements":["K","Mg","Cu","As","O"],"chemical_system":"As-Cu-K-Mg-O","density":4.0349173626904,"density_atomic":0.07941609818745095,"volume":503.6762182093789,"volume_molar":7.583022708803386,"formula_full":"K2 Mg5 Cu3 As6 O24","formula_reduced":"K2Mg5Cu3(AsO4)6","formula_anonymous":"A2B3C5D6E24","energy":-251.90628784,"energy_per_atom":-6.297657196,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-235.41828784,"band_gap":0.2242999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0030242,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.508000Z","spacegroup":1},{"id":"mp-977385","created_at":"2022-09-04T14:48:30.279524Z","structure_string":"Np1 H3\n1.0\n-1.684059 1.684059 3.098729\n1.684059 -1.684059 3.098729\n1.684059 1.684059 -3.098729\nNp H\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Np","H"],"chemical_system":"H-Np","density":11.33822960672348,"density_atomic":0.11378939754310133,"volume":35.15265996979089,"volume_molar":5.292356660662452,"formula_full":"Np1 H3","formula_reduced":"NpH3","formula_anonymous":"AB3","energy":-24.59586044,"energy_per_atom":-6.14896511,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.05886044,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9987043,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.493000Z","spacegroup":139},{"id":"mp-1190290","created_at":"2022-09-04T14:48:30.716987Z","structure_string":"B2 H16 N2\n1.0\n0.000000 0.000000 -4.089896\n0.000000 -4.142569 0.000000\n-8.640492 0.000000 0.000000\nB H N\n2 16 2\ndirect\n0.524243 0.454629 0.250000 B\n0.524243 0.545371 0.750000 B\n0.899827 0.849855 0.565834 H\n0.899827 0.150145 0.434166 H\n0.899827 0.849855 0.934166 H\n0.899827 0.150145 0.065834 H\n0.191332 0.137309 0.573152 H\n0.191332 0.862691 0.426848 H\n0.191332 0.137309 0.926848 H\n0.191332 0.862691 0.073152 H\n0.649727 0.572869 0.134731 H\n0.649727 0.427131 0.865269 H\n0.649727 0.572869 0.365269 H\n0.649727 0.427131 0.634731 H\n0.571029 0.160706 0.250000 H\n0.571029 0.839294 0.750000 H\n0.228426 0.504889 0.250000 H\n0.228426 0.495111 0.750000 H\n0.046530 0.000000 0.500000 N\n0.046530 0.000000 0.000000 N\n","nsites":20,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.7459445203592099,"density_atomic":0.1366184984105289,"volume":146.3930597443797,"volume_molar":4.407998060338721,"formula_full":"B2 H16 N2","formula_reduced":"BH8N","formula_anonymous":"ABC8","energy":-88.66992506,"energy_per_atom":-4.4334962529999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.94792506,"band_gap":5.6111,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005412,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.491000Z","spacegroup":28},{"id":"mp-27731","created_at":"2022-09-04T14:48:30.899087Z","structure_string":"Hf1 H2\n1.0\n-1.750463 1.750463 2.132927\n1.750463 -1.750463 2.132927\n1.750463 1.750463 -2.132927\nHf H\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n","nsites":3,"nelements":2,"elements":["Hf","H"],"chemical_system":"H-Hf","density":11.465647802373157,"density_atomic":0.11475705665821617,"volume":26.142183211747714,"volume_molar":5.247730235828454,"formula_full":"Hf1 H2","formula_reduced":"HfH2","formula_anonymous":"AB2","energy":-18.53463639,"energy_per_atom":-6.1782121299999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.17663639,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021992,"is_theoretical":false,"updated_at":"2021-11-28T01:39:53.479000Z","spacegroup":139},{"id":"mp-865998","created_at":"2022-09-04T14:48:30.466759Z","structure_string":"Hf1 Ga1 Ir2\n1.0\n0.000000 3.179861 3.179861\n3.179861 0.000000 3.179861\n3.179861 3.179861 0.000000\nHf Ga Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n","nsites":4,"nelements":3,"elements":["Hf","Ga","Ir"],"chemical_system":"Ga-Hf-Ir","density":16.336392000360316,"density_atomic":0.06220217730943532,"volume":64.30643062703929,"volume_molar":9.681559425230143,"formula_full":"Hf1 Ga1 Ir2","formula_reduced":"HfGaIr2","formula_anonymous":"ABC2","energy":-33.55602625,"energy_per_atom":-8.3890065625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.55602625,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6730572,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.453000Z","spacegroup":225},{"id":"mp-1095886","created_at":"2022-09-04T14:48:30.418365Z","structure_string":"Hf2 Ni1 Rh1\n1.0\n-4.673498 5.441273 7.686216\n4.673498 -5.441273 7.686216\n4.673498 5.441273 -7.686216\nHf Ni Rh\n2 1 1\ndirect\n0.000000 0.250596 0.250596 Hf\n0.000000 0.749404 0.749404 Hf\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Hf","Ni","Rh"],"chemical_system":"Hf-Ni-Rh","density":1.1014094193031492,"density_atomic":0.005116168482539953,"volume":781.8350810085471,"volume_molar":117.70802272348683,"formula_full":"Hf2 Ni1 Rh1","formula_reduced":"Hf2NiRh","formula_anonymous":"ABC2","energy":-21.73056951,"energy_per_atom":-5.4326423775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.73056951,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3104295,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.401000Z","spacegroup":71}]}