HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=91",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=89",
"results": [
{
"id": "jvasp-25630",
"created_at": "2022-09-04T14:37:39.863565Z",
"updated_at": "2022-09-04T14:37:39.863585Z",
"structure_string": "Ge4 Cl4 O8 F20\n1.0\n7.481837 -0.000000 -0.000000\n-3.740918 7.406229 0.000000\n-0.000000 0.000000 8.927574\nGe Cl O F\n4 4 8 20\ndirect\n0.770158 0.768879 0.184290 Ge\n0.229843 0.231121 0.684290 Ge\n0.001279 0.231121 0.315709 Ge\n-0.001280 0.768879 0.815709 Ge\n0.611496 0.222992 0.000000 Cl\n0.724457 0.448914 0.500000 Cl\n0.388504 0.777008 0.500000 Cl\n0.275543 0.551086 0.000000 Cl\n0.654504 0.125854 0.886480 O\n0.393152 0.649173 0.876025 O\n0.256022 0.649173 0.123974 O\n0.743979 0.350828 0.623974 O\n0.606848 0.350828 0.376025 O\n0.471350 0.125854 0.113520 O\n0.528650 0.874146 0.613520 O\n0.345496 0.874146 0.386480 O\n0.977887 0.000000 0.250000 F\n0.080273 0.720854 0.633809 F\n0.359419 0.279146 0.866190 F\n0.919728 0.279146 0.133810 F\n0.072216 0.323857 0.749064 F\n0.635782 0.884341 0.118708 F\n0.364219 0.115659 0.618708 F\n0.920056 0.840111 0.000000 F\n0.595297 0.557355 0.097782 F\n0.962058 0.557355 0.902218 F\n0.751440 0.115659 0.381292 F\n0.037942 0.442645 0.402218 F\n0.404703 0.442645 0.597782 F\n0.248560 0.884341 0.881291 F\n0.748359 0.676143 0.750936 F\n0.022113 0.000000 0.750000 F\n0.927784 0.676143 0.249064 F\n0.251641 0.323857 0.250936 F\n0.640581 0.720854 0.366190 F\n0.079944 0.159889 0.500000 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ge",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-Ge-O",
"density": 3.156406893593177,
"density_atomic": 0.0727718915114905,
"volume": 494.69649959992717,
"volume_molar": 8.275366539083459,
"formula_full": "Ge4 Cl4 O8 F20",
"formula_reduced": "GeClO2F5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.4926087144444444,
"spacegroup": 20
},
{
"id": "jvasp-5728",
"created_at": "2022-09-04T14:37:08.537921Z",
"updated_at": "2022-09-04T14:37:08.537941Z",
"structure_string": "Ta6 Cl30\n1.0\n5.810136 -0.004171 0.040793\n0.084410 12.764522 0.352141\n-0.011946 -0.010482 12.769647\nTa Cl\n6 30\ndirect\n-0.000001 0.110889 0.889111 Ta\n0.484359 0.222310 0.444229 Ta\n0.515641 0.555771 0.777690 Ta\n-0.000000 0.889111 0.110889 Ta\n0.484359 0.444229 0.222310 Ta\n0.515641 0.777690 0.555771 Ta\n0.272159 0.802900 0.418301 Cl\n0.727841 0.581699 0.197100 Cl\n0.290339 0.614230 0.614230 Cl\n0.241288 0.469405 0.084693 Cl\n0.720552 0.133098 0.328631 Cl\n0.279448 0.671369 0.866902 Cl\n0.279448 0.866902 0.671369 Cl\n0.720552 0.328631 0.133098 Cl\n0.241287 0.084694 0.469405 Cl\n0.758712 0.530595 0.915306 Cl\n0.758713 0.915306 0.530595 Cl\n0.709661 0.385770 0.385770 Cl\n0.247630 0.337604 0.533598 Cl\n0.230983 0.004576 0.200104 Cl\n0.752369 0.466402 0.662396 Cl\n0.752370 0.662396 0.466402 Cl\n0.247630 0.533598 0.337604 Cl\n0.727841 0.197100 0.581699 Cl\n0.272159 0.418301 0.802900 Cl\n0.771177 0.052451 0.052451 Cl\n0.258405 0.280954 0.280954 Cl\n0.228823 0.947549 0.947549 Cl\n0.245028 0.136231 0.751252 Cl\n0.245029 0.751252 0.136231 Cl\n0.754972 0.863769 0.248748 Cl\n0.230983 0.200104 0.004576 Cl\n0.769017 0.995424 0.799896 Cl\n0.769017 0.799896 0.995424 Cl\n0.754971 0.248748 0.863769 Cl\n0.741595 0.719046 0.719046 Cl\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ta",
"Cl"
],
"chemical_system": "Cl-Ta",
"density": 3.7684005521911543,
"density_atomic": 0.03801176312789092,
"volume": 947.0752482298092,
"volume_molar": 15.842834597644032,
"formula_full": "Ta6 Cl30",
"formula_reduced": "TaCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.1042415895833328,
"spacegroup": 12
},
{
"id": "jvasp-13885",
"created_at": "2022-09-04T14:38:01.334023Z",
"updated_at": "2022-09-04T14:38:01.334049Z",
"structure_string": "Lu8 Co2 B26\n1.0\n7.203370 -0.000000 0.000000\n0.000000 7.203370 -0.000000\n-0.000000 -0.000000 6.777913\nLu Co B\n8 2 26\ndirect\n0.318784 0.816382 0.000000 Lu\n0.181216 0.316382 0.500000 Lu\n0.818784 0.683618 0.500000 Lu\n0.816382 0.681216 0.000000 Lu\n0.183618 0.318784 0.000000 Lu\n0.681216 0.183618 0.000000 Lu\n0.683618 0.181216 0.500000 Lu\n0.316382 0.818784 0.500000 Lu\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.589633 0.910367 0.250000 B\n0.089633 0.589633 0.250000 B\n0.089633 0.589633 0.750000 B\n0.589633 0.910367 0.750000 B\n0.410367 0.089633 0.750000 B\n0.328782 0.539060 0.244425 B\n0.171218 0.039060 0.255574 B\n0.039060 0.828782 0.255574 B\n0.960940 0.171218 0.255574 B\n0.410367 0.089633 0.250000 B\n0.910367 0.410367 0.750000 B\n0.910367 0.410367 0.250000 B\n0.828782 0.960940 0.744425 B\n0.000000 0.000000 0.500000 B\n0.539060 0.671218 0.244425 B\n0.460940 0.328782 0.244425 B\n0.671218 0.460940 0.244425 B\n0.960940 0.171218 0.744425 B\n0.039060 0.828782 0.744425 B\n0.671218 0.460940 0.755574 B\n0.328782 0.539060 0.755574 B\n0.171218 0.039060 0.744425 B\n0.460940 0.328782 0.755574 B\n0.539060 0.671218 0.755574 B\n0.500000 0.500000 0.000000 B\n0.828782 0.960940 0.255574 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Lu",
"Co",
"B"
],
"chemical_system": "B-Co-Lu",
"density": 8.49253984657588,
"density_atomic": 0.10236112847828298,
"volume": 351.6960054581441,
"volume_molar": 5.883230137774089,
"formula_full": "Lu8 Co2 B26",
"formula_reduced": "Lu4CoB13",
"formula_anonymous": "AB4C13",
"energy_above_hull": 4.6377515268518525,
"spacegroup": 128
},
{
"id": "jvasp-97365",
"created_at": "2022-09-04T14:35:50.947178Z",
"updated_at": "2022-09-04T14:35:50.947213Z",
"structure_string": "Ba4 P8 O24\n1.0\n4.525297 0.000000 0.000000\n0.000000 8.341554 0.000000\n0.000000 0.000000 13.408909\nBa P O\n4 8 24\ndirect\n0.738010 0.805324 0.871878 Ba\n0.261991 0.694676 0.371878 Ba\n0.238010 0.194676 0.628122 Ba\n0.761991 0.305324 0.128122 Ba\n0.291857 0.780219 0.644271 P\n0.791858 0.219780 0.855729 P\n0.208143 0.280220 0.355729 P\n0.708143 0.719780 0.144271 P\n0.788220 0.571503 0.595991 P\n0.711781 0.071503 0.404009 P\n0.211781 0.928496 0.095991 P\n0.288219 0.428497 0.904009 P\n0.378628 0.109266 0.365260 O\n0.727174 0.631257 0.047398 O\n0.227174 0.368742 0.452602 O\n0.772827 0.131258 0.952602 O\n0.272827 0.868742 0.547398 O\n0.878629 0.890734 0.134740 O\n0.780577 0.908157 0.365401 O\n0.380916 0.792297 0.164987 O\n0.280576 0.091842 0.134599 O\n0.719425 0.408158 0.634599 O\n0.219424 0.591842 0.865401 O\n0.751684 0.614902 0.488652 O\n0.251684 0.385097 0.011348 O\n0.748317 0.114903 0.511348 O\n0.121372 0.609265 0.634740 O\n0.248317 0.885097 0.988652 O\n0.287083 0.371944 0.263159 O\n0.712918 0.128055 0.763159 O\n0.212917 0.871944 0.736841 O\n0.619084 0.707702 0.664987 O\n0.119084 0.292298 0.835013 O\n0.880917 0.207702 0.335013 O\n0.787084 0.628055 0.236841 O\n0.621372 0.390734 0.865260 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"P",
"O"
],
"chemical_system": "Ba-O-P",
"density": 3.8747374044522562,
"density_atomic": 0.07112380851675432,
"volume": 506.1596215213875,
"volume_molar": 8.467123577305893,
"formula_full": "Ba4 P8 O24",
"formula_reduced": "Ba(PO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3579886633333333,
"spacegroup": 19
},
{
"id": "jvasp-25573",
"created_at": "2022-09-04T14:37:45.995806Z",
"updated_at": "2022-09-04T14:37:45.995834Z",
"structure_string": "K6 Np2 H12 O16\n1.0\n0.000000 7.583018 -0.019755\n8.264212 0.000000 0.000000\n0.000000 -3.575172 -6.949843\nK Np H O\n6 2 12 16\ndirect\n0.000000 0.000000 0.500000 K\n0.584909 0.192279 0.540973 K\n0.415091 0.807720 0.459027 K\n0.415091 0.692279 0.959027 K\n0.000000 0.500000 0.000000 K\n0.584909 0.307720 0.040973 K\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.573880 0.523593 0.369776 H\n0.426121 0.023593 0.130224 H\n0.647064 0.966912 0.175620 H\n0.174758 0.291734 0.825391 H\n0.647064 0.533087 0.675620 H\n0.426121 0.476406 0.630224 H\n0.352937 0.466912 0.324380 H\n0.825243 0.791734 0.674609 H\n0.825243 0.708266 0.174610 H\n0.352937 0.033087 0.824380 H\n0.174758 0.208266 0.325391 H\n0.573880 0.976406 0.869776 H\n0.138158 0.801416 0.076195 O\n0.442383 0.492177 0.264176 O\n0.861843 0.301417 0.423805 O\n0.807103 0.906019 0.702977 O\n0.798986 0.921737 0.083618 O\n0.861843 0.198583 0.923805 O\n0.201015 0.078262 0.916382 O\n0.192897 0.093980 0.297023 O\n0.798986 0.578262 0.583618 O\n0.138158 0.698583 0.576195 O\n0.201015 0.421738 0.416382 O\n0.192897 0.406020 0.797023 O\n0.807103 0.593980 0.202978 O\n0.442383 0.007823 0.764176 O\n0.557617 0.507823 0.735824 O\n0.557617 0.992176 0.235824 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Np",
"H",
"O"
],
"chemical_system": "H-K-Np-O",
"density": 3.718769129857121,
"density_atomic": 0.08254719795162,
"volume": 436.1141370431399,
"volume_molar": 7.295390890832551,
"formula_full": "K6 Np2 H12 O16",
"formula_reduced": "K3Np(H3O4)2",
"formula_anonymous": "AB3C6D8",
"energy_above_hull": 2.625189555555556,
"spacegroup": 14
},
{
"id": "jvasp-32296",
"created_at": "2022-09-04T14:37:39.440174Z",
"updated_at": "2022-09-04T14:37:39.440195Z",
"structure_string": "C4 I4 F28\n1.0\n6.940940 0.000000 -1.279052\n0.000000 8.405968 0.000000\n0.003067 0.000000 8.563533\nC I F\n4 4 28\ndirect\n0.342198 0.590673 0.714360 C\n0.657802 0.090673 0.785640 C\n0.657802 0.409327 0.285640 C\n0.342198 0.909327 0.214360 C\n0.847120 0.912506 0.681595 I\n0.152881 0.412506 0.818405 I\n0.847120 0.587494 0.181595 I\n0.152881 0.087494 0.318405 I\n0.524278 0.953787 0.255048 F\n0.285736 0.911075 0.058013 F\n0.714264 0.411075 0.441987 F\n0.164182 0.298638 0.619808 F\n0.835819 0.798638 0.880192 F\n0.835818 0.701363 0.380192 F\n0.164182 0.201363 0.119808 F\n0.397990 0.317105 0.915527 F\n0.602010 0.817105 0.584473 F\n0.602010 0.682895 0.084473 F\n0.397990 0.182895 0.415527 F\n0.182344 0.565370 0.995908 F\n0.817656 0.065370 0.504091 F\n0.817656 0.434631 0.004091 F\n0.182344 0.934631 0.495909 F\n0.951669 0.551919 0.698922 F\n0.048332 0.051919 0.801077 F\n0.714264 0.088925 0.941987 F\n0.951669 0.948082 0.198923 F\n0.311816 0.732887 0.774104 F\n0.688184 0.232887 0.725895 F\n0.688184 0.267113 0.225896 F\n0.311816 0.767113 0.274105 F\n0.524278 0.546213 0.755048 F\n0.475723 0.046213 0.744952 F\n0.475723 0.453787 0.244952 F\n0.285736 0.588926 0.558013 F\n0.048332 0.448082 0.301078 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"C",
"I",
"F"
],
"chemical_system": "C-F-I",
"density": 3.614406656150443,
"density_atomic": 0.07204682401444144,
"volume": 499.6750445624636,
"volume_molar": 8.358648479484524,
"formula_full": "C4 I4 F28",
"formula_reduced": "CIF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4476031391666666,
"spacegroup": 14
},
{
"id": "jvasp-22906",
"created_at": "2022-09-04T14:38:18.721254Z",
"updated_at": "2022-09-04T14:38:18.721264Z",
"structure_string": "K2 Sm2 P8 O24\n1.0\n7.174526 0.016914 -1.394145\n-3.435952 6.298281 -1.394145\n0.003951 0.006675 10.582167\nK Sm P O\n2 2 8 24\ndirect\n0.681024 0.318976 0.750001 K\n0.318976 0.681024 0.250001 K\n0.380647 0.619354 0.750001 Sm\n0.619354 0.380646 0.250000 Sm\n0.804659 0.763100 0.064384 P\n0.763101 0.804659 0.564384 P\n0.195341 0.236900 0.935617 P\n0.866741 0.214486 0.501549 P\n0.133260 0.785514 0.498452 P\n0.214486 0.866740 0.001549 P\n0.236899 0.195341 0.435617 P\n0.785514 0.133259 -0.001548 P\n0.324767 0.804260 0.594252 O\n0.416857 0.007547 0.114822 O\n0.992453 0.583143 0.385179 O\n0.583143 0.992453 0.885179 O\n0.007548 0.416857 0.614822 O\n0.195741 0.675234 0.905750 O\n0.141512 -0.008266 0.912547 O\n0.339635 0.363991 0.076835 O\n0.008267 0.858488 0.587454 O\n0.858488 0.008266 0.087454 O\n-0.008267 0.141512 0.412547 O\n0.965234 0.219009 0.923981 O\n0.780991 0.034766 0.576021 O\n0.034767 0.780991 0.076021 O\n0.675234 0.195740 0.405749 O\n0.219009 0.965234 0.423981 O\n0.702627 0.745702 0.683074 O\n0.745703 0.702626 0.183073 O\n0.297373 0.254298 0.316928 O\n0.363992 0.339635 0.576835 O\n0.660366 0.636009 0.923166 O\n0.636009 0.660365 0.423166 O\n0.254298 0.297374 0.816928 O\n0.804260 0.324766 0.094252 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Sm",
"P",
"O"
],
"chemical_system": "K-O-P-Sm",
"density": 3.5042822034820182,
"density_atomic": 0.07516809103878662,
"volume": 478.92662301912196,
"volume_molar": 8.011565382035023,
"formula_full": "K2 Sm2 P8 O24",
"formula_reduced": "KSm(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.751162270833333,
"spacegroup": 15
},
{
"id": "jvasp-88681",
"created_at": "2022-09-04T14:36:08.113246Z",
"updated_at": "2022-09-04T14:36:08.113283Z",
"structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.963386 0.000000 0.000000\n0.000000 8.126617 0.000000\n0.000000 0.000000 11.388207\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.516029 0.043478 0.164768 Sr\n0.016029 0.456522 0.835232 Sr\n0.983972 0.956522 0.664768 Sr\n0.483972 0.543478 0.335232 Sr\n0.016113 0.028611 0.957462 Al\n0.516114 0.471389 0.042538 Al\n0.005676 0.337253 0.162409 Al\n0.483887 0.971390 0.457462 Al\n0.983888 0.528611 0.542538 Al\n0.994325 0.837253 0.337591 Al\n0.494325 0.662747 0.662409 Al\n0.505676 0.162747 0.837591 Al\n0.998389 0.702326 0.074558 Si\n0.501612 0.297675 0.574558 Si\n0.498388 0.797674 0.925442 Si\n0.001612 0.202326 0.425442 Si\n0.171260 0.520080 0.096325 N\n0.671261 0.979920 0.903675 N\n0.787063 0.344404 0.491051 N\n0.828741 0.020080 0.403675 N\n0.212938 0.844404 0.008949 N\n0.328740 0.479920 0.596325 N\n0.287063 0.155596 0.508950 N\n0.712938 0.655596 0.991051 N\n0.452096 0.846639 0.583719 O\n0.652755 0.368593 0.168386 O\n0.152755 0.131407 0.831614 O\n0.347246 0.868593 0.331614 O\n0.131906 0.292210 0.305103 O\n0.868095 0.792210 0.194897 O\n0.047904 0.153361 0.083719 O\n0.547904 0.346639 0.916281 O\n0.368095 0.707791 0.805103 O\n0.952097 0.653362 0.416282 O\n0.847246 0.631407 0.668386 O\n0.631906 0.207790 0.694897 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Sr",
"density": 3.5525157265824956,
"density_atomic": 0.0783717066957896,
"volume": 459.3494453264732,
"volume_molar": 7.6840750493998495,
"formula_full": "Sr4 Al8 Si4 N8 O12",
"formula_reduced": "SrAl2SiN2O3",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 2.8061452788888888,
"spacegroup": 19
},
{
"id": "jvasp-62733",
"created_at": "2022-09-04T14:35:45.454643Z",
"updated_at": "2022-09-04T14:35:45.454653Z",
"structure_string": "B4 Pb12 O16 F4\n1.0\n6.501188 0.000000 0.000000\n-0.000000 7.683158 0.000000\n0.000000 0.000000 12.110200\nB Pb O F\n4 12 16 4\ndirect\n0.250000 0.978322 0.500000 B\n0.750000 0.021678 0.000000 B\n0.750000 0.021678 0.500000 B\n0.250000 0.978322 0.000000 B\n0.450762 0.891647 0.750000 Pb\n0.549238 0.108353 0.250000 Pb\n0.950763 0.108353 0.750000 Pb\n0.049238 0.891647 0.250000 Pb\n0.470564 0.333071 0.895031 Pb\n0.529436 0.666929 0.395031 Pb\n0.970565 0.666929 0.604969 Pb\n0.470564 0.333071 0.604969 Pb\n0.529436 0.666929 0.104969 Pb\n0.970565 0.666929 0.895031 Pb\n0.029436 0.333071 0.395031 Pb\n0.029436 0.333071 0.104969 Pb\n0.203405 0.067813 0.096361 O\n0.750000 0.202666 0.000000 O\n0.250000 0.797334 0.500000 O\n0.250000 0.797334 0.000000 O\n0.750000 0.202666 0.500000 O\n0.703405 0.932187 0.403639 O\n0.296595 0.067813 0.903639 O\n0.796595 0.932187 0.596361 O\n0.090068 0.806360 0.750000 O\n0.703405 0.932187 0.096361 O\n0.796595 0.932187 0.903639 O\n0.203405 0.067813 0.403639 O\n0.590068 0.193640 0.750000 O\n0.409932 0.806360 0.250000 O\n0.909932 0.193640 0.250000 O\n0.296595 0.067813 0.596361 O\n0.804906 0.578113 0.250000 F\n0.304906 0.421887 0.250000 F\n0.695094 0.578113 0.750000 F\n0.195094 0.421887 0.750000 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"B",
"Pb",
"O",
"F"
],
"chemical_system": "B-F-O-Pb",
"density": 7.855583893834854,
"density_atomic": 0.05951393904290164,
"volume": 604.9003070364538,
"volume_molar": 10.1188744298354,
"formula_full": "B4 Pb12 O16 F4",
"formula_reduced": "BPb3O4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.7278510362037038,
"spacegroup": 57
},
{
"id": "jvasp-91431",
"created_at": "2022-09-04T14:36:12.934292Z",
"updated_at": "2022-09-04T14:36:12.934315Z",
"structure_string": "K4 U4 Cr4 O24\n1.0\n6.408733 0.000000 -1.611873\n0.000000 8.353596 0.000000\n0.007423 0.000000 10.428924\nK U Cr O\n4 4 4 24\ndirect\n0.960412 0.732256 0.150911 K\n0.039588 0.232256 0.349089 K\n0.039587 0.267744 0.849089 K\n0.960411 0.767745 0.650910 K\n0.483172 0.023462 0.177743 U\n0.516827 0.523462 0.322257 U\n0.516827 0.976539 0.822257 U\n0.483172 0.476539 0.677742 U\n0.377028 0.643021 0.946642 Cr\n0.622971 0.143021 0.553358 Cr\n0.622971 0.356980 0.053358 Cr\n0.377028 0.856980 0.446642 Cr\n0.533919 0.157570 0.991407 O\n0.134904 0.868177 0.444164 O\n0.865096 0.368177 0.055836 O\n0.201841 0.430210 0.625093 O\n0.798157 0.930211 0.874907 O\n0.798158 0.569790 0.374907 O\n0.201842 0.069790 0.125093 O\n0.533919 0.342430 0.491407 O\n0.466080 0.842431 0.008593 O\n0.466080 0.657570 0.508592 O\n0.764253 0.521486 0.736516 O\n0.408822 0.791557 0.284712 O\n0.235746 0.478515 0.263485 O\n0.764253 0.978515 0.236515 O\n0.591177 0.208443 0.715287 O\n0.408822 0.708444 0.784712 O\n0.134903 0.631823 0.944163 O\n0.591177 0.291557 0.215288 O\n0.450702 0.063656 0.396219 O\n0.549297 0.563656 0.103781 O\n0.549297 0.936345 0.603781 O\n0.450702 0.436345 0.896218 O\n0.235746 0.021486 0.763484 O\n0.865095 0.131823 0.555836 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"U",
"Cr",
"O"
],
"chemical_system": "Cr-K-O-U",
"density": 5.05658649899564,
"density_atomic": 0.06446731934713554,
"volume": 558.4224745898262,
"volume_molar": 9.341385404242935,
"formula_full": "K4 U4 Cr4 O24",
"formula_reduced": "KUCrO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.898369155555556,
"spacegroup": 14
},
{
"id": "jvasp-96756",
"created_at": "2022-09-04T14:36:21.610263Z",
"updated_at": "2022-09-04T14:36:21.610291Z",
"structure_string": "Na2 V12 O22\n1.0\n5.754395 0.000000 0.000000\n-2.877197 4.983452 -0.000000\n-0.000000 0.000000 13.184266\nNa V O\n2 12 22\ndirect\n0.333333 0.666667 0.263403 Na\n0.666665 0.333332 0.763403 Na\n0.495709 0.991419 -0.000889 V\n0.666665 0.333332 0.239338 V\n0.333333 0.666667 0.739338 V\n0.000000 0.000000 0.352382 V\n0.000000 0.000000 0.852382 V\n0.000000 0.000000 0.148023 V\n0.504289 0.008580 0.499111 V\n0.495709 0.504290 -0.000889 V\n0.008580 0.504290 -0.000889 V\n0.991418 0.495711 0.499111 V\n0.000000 0.000000 0.648023 V\n0.504289 0.495711 0.499111 V\n0.829503 0.659010 0.921189 O\n0.152457 0.304916 0.751458 O\n0.340988 0.170495 0.921189 O\n0.829504 0.170495 0.921189 O\n0.170494 0.340989 0.421189 O\n0.661983 0.830992 0.080921 O\n0.170493 0.829504 0.421189 O\n0.666665 0.333332 0.410665 O\n0.333333 0.666667 0.910665 O\n0.666665 0.333332 0.086977 O\n0.333333 0.666667 0.586977 O\n0.847540 0.695083 0.251458 O\n0.169007 0.830992 0.080921 O\n0.152457 0.847542 0.751458 O\n0.304917 0.152459 0.251458 O\n0.847542 0.152459 0.251458 O\n0.659009 0.829504 0.421189 O\n0.169007 0.338014 0.080921 O\n0.830992 0.169007 0.580921 O\n0.338014 0.169007 0.580921 O\n0.695084 0.847542 0.751458 O\n0.830991 0.661985 0.580921 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 4.432697752326179,
"density_atomic": 0.0952174605615027,
"volume": 378.08191677982154,
"volume_molar": 6.324618115718587,
"formula_full": "Na2 V12 O22",
"formula_reduced": "NaV6O11",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.4893184833333337,
"spacegroup": 186
},
{
"id": "jvasp-91467",
"created_at": "2022-09-04T14:35:44.280031Z",
"updated_at": "2022-09-04T14:35:44.280066Z",
"structure_string": "Mn4 P8 O24\n1.0\n6.924766 0.038071 -2.471123\n-3.046161 6.589846 -1.164098\n0.019712 -0.012055 9.927980\nMn P O\n4 8 24\ndirect\n0.500001 0.500001 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.294392 0.544392 0.750000 Mn\n0.705609 0.455609 0.250000 Mn\n0.768192 0.220190 0.520173 P\n0.799984 0.751983 0.020173 P\n0.231809 0.779812 0.479827 P\n0.200017 0.248019 0.979828 P\n0.498394 0.810224 0.300898 P\n0.990675 0.802505 0.800898 P\n0.501607 0.189777 0.699102 P\n0.009326 0.197496 0.199102 P\n0.470893 0.380457 0.683587 O\n0.242436 0.413026 0.910997 O\n0.002027 0.331438 0.589003 O\n0.384693 0.214063 0.080612 O\n0.633451 0.304080 0.419388 O\n0.615308 0.785938 0.919388 O\n0.366550 0.695921 0.580613 O\n0.803131 0.212694 0.183587 O\n0.529108 0.619544 0.316414 O\n0.196870 0.787307 0.816414 O\n0.193157 0.298561 0.346992 O\n0.938410 0.720218 0.930732 O\n0.806844 0.701440 0.653009 O\n0.548431 0.153835 0.846992 O\n0.061591 0.279783 0.069268 O\n0.710515 0.992323 0.430732 O\n0.997974 0.668563 0.410998 O\n0.289486 0.007678 0.569269 O\n0.966618 0.962466 0.150985 O\n0.311483 0.815633 0.349016 O\n0.033383 0.037535 0.849016 O\n0.688518 0.184369 0.650985 O\n0.451570 0.846166 0.153009 O\n0.757565 0.586975 0.089003 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.1122753560356484,
"density_atomic": 0.07923782523809021,
"volume": 454.32847117937473,
"volume_molar": 7.600083346438327,
"formula_full": "Mn4 P8 O24",
"formula_reduced": "Mn(PO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.008293249042146,
"spacegroup": 15
}
]
}