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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1300",
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"results": [
{
"id": "jvasp-27330",
"created_at": "2022-09-04T14:37:17.226240Z",
"updated_at": "2022-09-04T14:37:17.226257Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.483823 -0.000000 0.000000\n0.000000 6.483823 0.000000\n0.000000 0.000000 10.067696\nRb Na Co O\n4 8 4 10\ndirect\n0.302179 0.302179 0.000000 Rb\n0.197821 0.802179 0.500000 Rb\n0.802179 0.197821 0.500000 Rb\n0.697820 0.697820 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776204 Na\n0.000000 0.500000 0.250000 Na\n0.500000 0.500000 0.276204 Na\n0.500000 0.500000 0.723797 Na\n0.000000 0.000000 0.223797 Na\n0.500000 0.000000 0.250000 Na\n0.289882 0.289882 0.500000 Co\n0.210118 0.789881 0.000000 Co\n0.710118 0.710118 0.500000 Co\n0.789881 0.210118 0.000000 Co\n0.277206 0.722793 0.169153 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722793 0.277206 0.830848 O\n0.277206 0.722793 0.830848 O\n0.222794 0.222794 0.330847 O\n0.777206 0.777206 0.669153 O\n0.222794 0.222794 0.669153 O\n0.722793 0.277206 0.169153 O\n0.777206 0.777206 0.330847 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O-Rb",
"density": 3.615427409977906,
"density_atomic": 0.061430061959162,
"volume": 423.245544132521,
"volume_molar": 9.803247087726282,
"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
"formula_anonymous": "A2B2C4D5",
"energy_above_hull": 1.2135681000000005,
"spacegroup": 136
},
{
"id": "jvasp-25583",
"created_at": "2022-09-04T14:38:18.649498Z",
"updated_at": "2022-09-04T14:38:18.649519Z",
"structure_string": "Rb4 Na4 Si8 O20\n1.0\n0.000000 4.910690 -0.001867\n13.708933 0.000000 0.000000\n0.000000 -0.134109 -7.706477\nRb Na Si O\n4 4 8 20\ndirect\n0.278308 0.802795 0.217104 Rb\n0.278308 0.697205 0.717104 Rb\n0.721692 0.302795 0.282896 Rb\n0.721692 0.197205 0.782896 Rb\n0.227620 0.092627 0.033032 Na\n0.227620 0.407373 0.533033 Na\n0.772380 0.907373 0.966968 Na\n0.772380 0.592627 0.466968 Na\n0.796466 0.868990 0.518705 Si\n0.301187 0.954016 0.714395 Si\n0.698813 0.454016 0.785606 Si\n0.203534 0.368990 0.981296 Si\n0.203534 0.131010 0.481296 Si\n0.796466 0.631010 0.018704 Si\n0.301187 0.545983 0.214395 Si\n0.698813 0.045984 0.285606 Si\n0.251936 0.071799 0.669927 O\n0.244292 0.931317 0.912978 O\n0.729305 0.756690 0.499334 O\n0.755708 0.431317 0.587023 O\n0.270695 0.256690 0.000667 O\n0.122084 0.611570 0.072072 O\n0.251936 0.428201 0.169927 O\n0.375419 0.429820 0.831432 O\n0.122084 0.888430 0.572072 O\n0.755708 0.068683 0.087023 O\n0.748064 0.928201 0.330073 O\n0.748064 0.571798 0.830073 O\n0.375420 0.070180 0.331431 O\n0.244292 0.568683 0.412977 O\n0.877916 0.111570 0.427929 O\n0.624580 0.570180 0.168569 O\n0.877916 0.388430 0.927929 O\n0.624580 0.929820 0.668569 O\n0.729305 0.743309 -0.000666 O\n0.270695 0.243310 0.500667 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Rb-Si",
"density": 3.131886431381304,
"density_atomic": 0.06939010871401546,
"volume": 518.8059316691731,
"volume_molar": 8.678673187874173,
"formula_full": "Rb4 Na4 Si8 O20",
"formula_reduced": "RbNaSi2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8942870777777776,
"spacegroup": 14
},
{
"id": "jvasp-38157",
"created_at": "2022-09-04T14:36:06.338432Z",
"updated_at": "2022-09-04T14:36:06.338449Z",
"structure_string": "Rb4 N1 O1\n1.0\n4.886029 0.000000 0.000000\n0.000000 4.886029 0.000000\n0.000000 0.000000 6.906436\nRb N O\n4 1 1\ndirect\n0.000000 0.500000 0.744140 Rb\n0.500000 0.000000 0.255861 Rb\n0.000000 0.500000 0.255861 Rb\n0.500000 0.000000 0.744140 Rb\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 3.745266226474743,
"density_atomic": 0.036390261638394115,
"volume": 164.87927620914948,
"volume_molar": 16.54877016230696,
"formula_full": "Rb4 N1 O1",
"formula_reduced": "Rb4NO",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6583494583333334,
"spacegroup": 123
},
{
"id": "jvasp-24261",
"created_at": "2022-09-04T14:37:59.079453Z",
"updated_at": "2022-09-04T14:37:59.079480Z",
"structure_string": "Rb4 Mo6 O20\n1.0\n8.088529 0.000000 0.000000\n-4.044265 7.019632 -1.043394\n0.000000 -0.002111 9.223810\nRb Mo O\n4 6 20\ndirect\n0.769777 0.365342 0.156627 Rb\n0.404435 0.634658 0.343373 Rb\n0.230222 0.634658 0.843373 Rb\n0.595564 0.365342 0.656627 Rb\n0.293677 0.000000 0.250000 Mo\n0.817631 0.783482 0.977579 Mo\n0.706324 0.000000 0.750000 Mo\n0.182369 0.216518 0.022421 Mo\n0.965851 0.783482 0.477579 Mo\n0.034149 0.216518 0.522421 Mo\n0.949338 0.282479 0.382757 O\n0.478969 0.104305 0.384025 O\n0.374663 0.895695 0.115976 O\n0.856544 0.595953 0.917313 O\n0.260591 0.404047 0.582688 O\n0.143456 0.404047 0.082688 O\n0.739408 0.595952 0.417313 O\n0.666858 0.717521 0.117244 O\n0.333142 0.282479 0.882756 O\n0.891618 0.949709 0.592214 O\n0.058090 0.949709 0.092214 O\n0.108381 0.050291 0.407786 O\n0.941910 0.050291 0.907786 O\n0.625336 0.104305 0.884025 O\n0.648866 0.759690 0.818588 O\n0.889177 0.240310 0.681413 O\n0.351133 0.240310 0.181413 O\n0.110823 0.759690 0.318588 O\n0.050662 0.717521 0.617244 O\n0.521031 0.895695 0.615976 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Rb",
"density": 3.9238695261031262,
"density_atomic": 0.05728511489518597,
"volume": 523.6962525935527,
"volume_molar": 10.51257516200963,
"formula_full": "Rb4 Mo6 O20",
"formula_reduced": "Rb2Mo3O10",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 3.1800735133333333,
"spacegroup": 15
},
{
"id": "jvasp-122105",
"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Rb",
"density": 4.184369897392364,
"density_atomic": 0.06049856828552694,
"volume": 297.52770206144095,
"volume_molar": 9.954187232296329,
"formula_full": "Rb4 Mo2 O4 F8",
"formula_reduced": "Rb2Mo(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": null,
"spacegroup": 36
},
{
"id": "jvasp-9578",
"created_at": "2022-09-04T14:37:36.276377Z",
"updated_at": "2022-09-04T14:37:36.276405Z",
"structure_string": "Rb4 Mn6 Se8\n1.0\n5.116105 0.000000 1.683109\n1.960726 8.655568 2.657234\n-0.210568 0.288037 9.257262\nRb Mn Se\n4 6 8\ndirect\n0.749910 0.875245 0.124755 Rb\n0.750091 0.375245 0.624755 Rb\n0.250091 0.124756 0.875244 Rb\n0.249910 0.624755 0.375244 Rb\n0.750000 -0.002478 0.502478 Mn\n0.250001 0.497522 0.002478 Mn\n0.750001 0.750000 0.749999 Mn\n0.750001 0.502479 -0.002479 Mn\n0.250000 0.002479 0.497521 Mn\n0.250000 0.250000 0.250000 Mn\n0.403954 0.219863 0.471155 Se\n0.594972 0.280137 0.028845 Se\n0.905029 0.471155 0.219862 Se\n0.596047 0.780138 0.528844 Se\n0.405029 0.719863 0.971154 Se\n0.903955 0.971156 0.719862 Se\n0.094972 0.528845 0.780137 Se\n0.096046 0.028845 0.280137 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 5.277488397494717,
"density_atomic": 0.0438981749765699,
"volume": 410.0398253368682,
"volume_molar": 13.718430807691306,
"formula_full": "Rb4 Mn6 Se8",
"formula_reduced": "Rb2Mn3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.0932994656449555,
"spacegroup": 72
},
{
"id": "jvasp-97855",
"created_at": "2022-09-04T14:35:54.610324Z",
"updated_at": "2022-09-04T14:35:54.610349Z",
"structure_string": "Rb4 Mn4 F16\n1.0\n5.975074 0.000000 -0.081339\n0.000000 7.810571 0.000000\n0.017458 0.000000 7.860047\nRb Mn F\n4 4 16\ndirect\n0.521498 0.706255 0.252019 Rb\n0.478501 0.206255 0.247981 Rb\n0.478501 0.293745 0.747981 Rb\n0.521498 0.793745 0.752019 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.288340 0.567338 0.546426 F\n0.711660 0.432662 0.453575 F\n0.080667 0.514921 0.233891 F\n0.919332 0.014921 0.266109 F\n0.919332 0.485079 0.766110 F\n0.080667 0.985079 0.733891 F\n0.899139 0.731545 0.499393 F\n0.288997 0.944025 0.446565 F\n0.100860 0.268455 0.500607 F\n0.899139 0.768455 0.999393 F\n0.288339 0.932661 0.046425 F\n0.288997 0.555975 0.946565 F\n0.711002 0.055975 0.553435 F\n0.711660 0.067338 0.953575 F\n0.100860 0.231545 0.000607 F\n0.711002 0.444025 0.053435 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.9183291050098594,
"density_atomic": 0.06542547655827459,
"volume": 366.8295786676182,
"volume_molar": 9.204580656949542,
"formula_full": "Rb4 Mn4 F16",
"formula_reduced": "RbMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1670447719588121,
"spacegroup": 14
},
{
"id": "jvasp-87098",
"created_at": "2022-09-04T14:35:42.828701Z",
"updated_at": "2022-09-04T14:35:42.828730Z",
"structure_string": "Rb4 Mn2 Te4\n1.0\n6.508175 -0.000000 -2.765329\n-1.382793 6.720078 -3.254393\n-0.029653 0.048206 8.971342\nRb Mn Te\n4 2 4\ndirect\n0.144397 0.469688 0.288794 Rb\n0.644398 0.819106 0.288794 Rb\n0.855605 0.530313 0.711207 Rb\n0.355604 0.180895 0.711207 Rb\n0.750001 0.000000 0.000000 Mn\n0.250000 0.000000 0.000000 Mn\n0.894939 0.087063 0.789876 Te\n0.105063 0.912938 0.210125 Te\n0.605063 0.297187 0.210125 Te\n0.394939 0.702814 0.789876 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Te"
],
"chemical_system": "Mn-Rb-Te",
"density": 4.065145524099428,
"density_atomic": 0.025444003032499104,
"volume": 393.01991857284423,
"volume_molar": 23.668212711294064,
"formula_full": "Rb4 Mn2 Te4",
"formula_reduced": "Rb2MnTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7389285549425284,
"spacegroup": 72
},
{
"id": "jvasp-87096",
"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Se"
],
"chemical_system": "Mn-Rb-Se",
"density": 3.8800130824263497,
"density_atomic": 0.0304408179310626,
"volume": 328.50628464210024,
"volume_molar": 19.78311086659354,
"formula_full": "Rb4 Mn2 Se4",
"formula_reduced": "Rb2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9042527949425284,
"spacegroup": 72
},
{
"id": "jvasp-87094",
"created_at": "2022-09-04T14:35:59.762664Z",
"updated_at": "2022-09-04T14:35:59.762689Z",
"structure_string": "Rb4 Mn2 S4\n1.0\n5.859638 0.000000 -2.468218\n-1.298522 6.174194 -3.082737\n-0.034271 0.047948 8.108244\nRb Mn S\n4 2 4\ndirect\n0.648581 0.807370 0.297162 Rb\n0.351420 0.192629 0.702837 Rb\n0.851420 0.510208 0.702837 Rb\n0.148581 0.489792 0.297162 Rb\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.400206 0.714554 0.800410 S\n0.599795 0.285446 0.199589 S\n0.099795 0.914144 0.199589 S\n0.900206 0.085856 0.800410 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"S"
],
"chemical_system": "Mn-Rb-S",
"density": 3.277696342184061,
"density_atomic": 0.034031897681821945,
"volume": 293.84197418239995,
"volume_molar": 17.695577297226986,
"formula_full": "Rb4 Mn2 S4",
"formula_reduced": "Rb2MnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1015614482758616,
"spacegroup": 72
},
{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"P",
"S"
],
"chemical_system": "Mn-P-Rb-S",
"density": 2.8498056869774624,
"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.094974385579937,
"spacegroup": 14
},
{
"id": "jvasp-38268",
"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P-Rb",
"density": 3.04750496053249,
"density_atomic": 0.06274539193858428,
"volume": 446.24790976533603,
"volume_molar": 9.597741880223687,
"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.3845426500000002,
"spacegroup": 33
}
]
}