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=nelements&page=4618",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4616",
"results": [
{
"id": "jvasp-103812",
"created_at": "2022-09-04T14:36:51.521833Z",
"updated_at": "2022-09-04T14:36:51.521851Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.827502 0.027834 0.942208\n0.743944 5.992790 1.536424\n-0.160107 -0.292305 6.489792\nH C S N O\n6 6 2 2 2\ndirect\n0.261014 -0.031903 0.296225 H\n0.625742 0.540958 0.276430 H\n0.639041 0.717658 0.032562 H\n0.297443 0.547144 0.684348 H\n0.601463 0.150466 0.880014 H\n0.667714 0.142269 0.609654 H\n0.813449 0.832318 0.259921 C\n0.837822 0.396313 0.700928 C\n0.609422 0.258019 0.722528 C\n0.124995 0.262128 0.715063 C\n0.596458 0.717399 0.205705 C\n0.107326 0.704200 0.236080 C\n0.163953 0.452041 0.173745 S\n0.164643 0.986602 0.757072 S\n0.310178 0.812091 0.260382 N\n0.335756 0.378768 0.696417 N\n0.800947 0.599294 0.676322 O\n0.767132 0.017771 0.305732 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7632090017830084,
"density_atomic": 0.09449960575853261,
"volume": 190.4769851209113,
"volume_molar": 6.372662310769742,
"formula_full": "H6 C6 S2 N2 O2",
"formula_reduced": "H3C3SNO",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 4.620888527777778,
"spacegroup": 1
},
{
"id": "jvasp-51764",
"created_at": "2022-09-04T14:37:05.082200Z",
"updated_at": "2022-09-04T14:37:05.082218Z",
"structure_string": "Na1 In1 H8 N2 F6\n1.0\n4.320808 4.320806 -0.000000\n-0.000000 4.320806 4.320808\n4.320808 0.000000 4.320809\nNa In H N F\n1 1 8 2 6\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.319049 0.319049 0.319049 H\n0.319049 0.319049 0.042854 H\n0.042853 0.319049 0.319049 H\n0.319049 0.042854 0.319049 H\n0.680952 0.957147 0.680951 H\n0.680952 0.680952 0.957146 H\n0.957147 0.680952 0.680951 H\n0.680952 0.680952 0.680951 H\n0.750001 0.750001 0.750000 N\n0.250000 0.250000 0.250000 N\n0.756188 0.756188 0.243813 F\n0.243814 0.756187 0.756187 F\n0.243813 0.243812 0.756187 F\n0.243814 0.756187 0.243813 F\n0.756187 0.243814 0.243813 F\n0.756187 0.243813 0.756187 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Na",
"In",
"H",
"N",
"F"
],
"chemical_system": "F-H-In-N-Na",
"density": 2.9629782402033005,
"density_atomic": 0.11157008272463835,
"volume": 161.33357223033596,
"volume_molar": 5.3976304515817235,
"formula_full": "Na1 In1 H8 N2 F6",
"formula_reduced": "NaInH8(NF3)2",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 1.9271181758333336,
"spacegroup": 225
},
{
"id": "jvasp-103835",
"created_at": "2022-09-04T14:36:59.831513Z",
"updated_at": "2022-09-04T14:36:59.831533Z",
"structure_string": "H3 C5 S1 N1 O2\n1.0\n5.410366 0.179699 0.582799\n1.381353 4.996175 1.260794\n-0.006942 0.173481 5.391110\nH C S N O\n3 5 1 1 2\ndirect\n0.001996 0.947374 0.195017 H\n0.012639 0.954589 0.742103 H\n0.294677 0.191212 0.383360 H\n0.961656 0.170673 0.647613 C\n0.110485 0.289714 0.466176 C\n0.005900 0.585544 0.381837 C\n0.735825 0.361676 0.722625 C\n0.555676 0.287026 0.940142 C\n0.691421 0.688669 0.557943 S\n0.113293 0.745099 0.226288 N\n0.661369 0.202976 0.157582 O\n0.329436 0.314296 0.886719 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6348637584709855,
"density_atomic": 0.08370271405116086,
"volume": 143.3645268977222,
"volume_molar": 7.194678008074076,
"formula_full": "H3 C5 S1 N1 O2",
"formula_reduced": "H3C5SNO2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 5.049985020833333,
"spacegroup": 1
},
{
"id": "jvasp-28648",
"created_at": "2022-09-04T14:36:59.713444Z",
"updated_at": "2022-09-04T14:36:59.713475Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.313953 0.000000 0.000000\n-1.656977 2.869845 -0.004285\n0.000000 0.038137 26.233704\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.332758 0.665519 0.823814 Te\n0.332723 0.665448 0.677621 Te\n0.333062 0.666126 0.007872 Mo\n0.334396 0.668794 0.493608 Mo\n0.666076 0.332154 0.750718 Mo\n0.666472 0.332946 0.250721 W\n0.333162 0.666327 0.315023 Se\n0.333099 0.666202 0.186413 Se\n0.666380 0.332763 0.949634 S\n0.667725 0.335451 0.435370 S\n0.666408 0.332816 0.066108 S\n0.667726 0.335452 0.551844 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.742335335533649,
"density_atomic": 0.048096769078106005,
"volume": 249.49700842717283,
"volume_molar": 12.520884199561173,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.819604997222223,
"spacegroup": 187
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-32687",
"created_at": "2022-09-04T14:36:44.643968Z",
"updated_at": "2022-09-04T14:36:44.643995Z",
"structure_string": "Co1 Sn1 C4 Cl3 O4\n1.0\n6.376165 -0.002055 -1.120337\n-1.334865 6.234734 -1.120848\n-0.001147 -0.001934 6.473672\nCo Sn C Cl O\n1 1 4 3 4\ndirect\n0.270842 0.270852 0.270840 Co\n-0.007478 -0.007494 -0.007479 Sn\n0.299386 0.053635 0.406939 C\n0.406976 0.299395 0.053619 C\n0.053622 0.406951 0.299392 C\n0.468380 0.468427 0.468400 C\n0.672169 0.878360 0.105963 Cl\n0.105918 0.672153 0.878356 Cl\n0.878378 0.105911 0.672184 Cl\n0.496812 0.321009 0.917247 O\n0.594920 0.594975 0.594955 O\n0.917247 0.496757 0.321022 O\n0.321015 0.917266 0.496751 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Co",
"Sn",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Co-O-Sn",
"density": 2.555845112563648,
"density_atomic": 0.05052273921222027,
"volume": 257.3098807131899,
"volume_molar": 11.919664004566451,
"formula_full": "Co1 Sn1 C4 Cl3 O4",
"formula_reduced": "CoSnC4Cl3O4",
"formula_anonymous": "ABC3D4E4",
"energy_above_hull": 3.510817600192308,
"spacegroup": 146
},
{
"id": "jvasp-29047",
"created_at": "2022-09-04T14:37:05.424899Z",
"updated_at": "2022-09-04T14:37:05.424918Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.345399 0.000001 -0.000000\n-1.672699 2.897195 0.000045\n-0.000002 -0.000424 35.157785\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666620 0.333239 0.033607 Te\n0.666633 0.333266 0.141705 Te\n0.333297 0.666593 0.087600 Mo\n0.333333 0.666666 0.473918 W\n0.666697 0.333395 0.286402 W\n0.666669 0.333337 0.654967 W\n0.333367 0.666735 0.334077 Se\n0.666645 0.333287 0.426267 Se\n0.666685 0.333368 0.521582 Se\n0.333375 0.666752 0.238725 Se\n0.333346 0.666692 0.698325 S\n0.333342 0.666685 0.611573 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.250334501844066,
"density_atomic": 0.03521551267024519,
"volume": 340.7589181610642,
"volume_molar": 17.100818086593744,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122187075,
"spacegroup": 156
},
{
"id": "jvasp-52911",
"created_at": "2022-09-04T14:37:00.310560Z",
"updated_at": "2022-09-04T14:37:00.310585Z",
"structure_string": "Li2 As2 H4 O2 F12\n1.0\n-3.718174 5.299984 3.059206\n3.718174 -5.299984 3.059206\n3.718174 5.299984 -3.059206\nLi As H O F\n2 2 4 2 12\ndirect\n-0.000001 -0.000001 0.500000 Li\n0.000001 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.194521 0.518596 0.675924 H\n0.805479 0.481404 0.324075 H\n0.657329 0.481404 0.175925 H\n0.342671 0.518596 0.824074 H\n0.171772 0.421771 0.749999 O\n0.828229 0.578229 0.250000 O\n0.084872 0.136543 0.285851 F\n0.915128 0.200980 0.051671 F\n0.350693 0.799021 0.214148 F\n0.649308 0.863457 0.448328 F\n0.915128 0.863457 0.714148 F\n0.243068 0.715622 0.527445 F\n0.688178 0.715622 0.972554 F\n0.311823 0.284378 0.027446 F\n0.756932 0.284378 0.472554 F\n0.350692 0.136543 0.551671 F\n0.084872 0.799020 0.948328 F\n0.649307 0.200979 0.785851 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"As",
"H",
"O",
"F"
],
"chemical_system": "As-F-H-Li-O",
"density": 2.945455914693974,
"density_atomic": 0.09123252586969033,
"volume": 241.1420684704394,
"volume_molar": 6.600870361302472,
"formula_full": "Li2 As2 H4 O2 F12",
"formula_reduced": "LiAsH2OF6",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 0.8786424495454546,
"spacegroup": 74
},
{
"id": "jvasp-8421",
"created_at": "2022-09-04T14:36:53.671400Z",
"updated_at": "2022-09-04T14:36:53.671411Z",
"structure_string": "Ba1 Y1 Cu1 Ni1 O5\n1.0\n3.870163 0.000000 0.000000\n0.000000 3.870163 0.000000\n0.000000 -0.000000 7.504831\nBa Y Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968253 Ba\n0.000000 0.000000 0.463324 Y\n0.500000 0.500000 0.237700 Cu\n0.500000 0.500000 0.700494 Ni\n0.000000 0.500000 0.654007 O\n0.500000 0.000000 0.654007 O\n0.000000 0.500000 0.277394 O\n0.500000 0.000000 0.277394 O\n0.500000 0.500000 0.955343 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Ni",
"O"
],
"chemical_system": "Ba-Cu-Ni-O-Y",
"density": 6.329498869736851,
"density_atomic": 0.08006506845541381,
"volume": 112.40857184818208,
"volume_molar": 7.521558247781398,
"formula_full": "Ba1 Y1 Cu1 Ni1 O5",
"formula_reduced": "BaYCuNiO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.7742390855555554,
"spacegroup": 99
},
{
"id": "jvasp-42684",
"created_at": "2022-09-04T14:37:05.533256Z",
"updated_at": "2022-09-04T14:37:05.533276Z",
"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.9574362801620384,
"density_atomic": 0.09436579765059736,
"volume": 190.74707625158356,
"volume_molar": 6.381698570808274,
"formula_full": "Li2 V2 P2 H2 O10",
"formula_reduced": "LiVPHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.7416408000000003,
"spacegroup": 2
},
{
"id": "jvasp-8424",
"created_at": "2022-09-04T14:37:06.703234Z",
"updated_at": "2022-09-04T14:37:06.703246Z",
"structure_string": "Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.749299 0.000000 0.000000\n0.000000 3.749299 0.000000\n0.000000 0.000000 8.291995\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968065 Ba\n0.000000 0.000000 0.556916 Al\n0.500000 0.500000 0.719446 Cu\n0.500000 0.500000 0.302636 Mo\n0.500000 0.000000 0.400071 O\n0.000000 0.500000 0.400071 O\n0.500000 0.000000 0.697718 O\n0.000000 0.500000 0.697718 O\n0.500000 0.500000 0.069421 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Mo",
"O"
],
"chemical_system": "Al-Ba-Cu-Mo-O",
"density": 5.752374176567945,
"density_atomic": 0.07721173755845362,
"volume": 116.56258859848214,
"volume_molar": 7.799514621000339,
"formula_full": "Ba1 Al1 Cu1 Mo1 O5",
"formula_reduced": "BaAlCuMoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.305038068888889,
"spacegroup": 99
},
{
"id": "jvasp-48610",
"created_at": "2022-09-04T14:37:05.593311Z",
"updated_at": "2022-09-04T14:37:05.593333Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"W",
"O"
],
"chemical_system": "Li-Nb-O-Te-W",
"density": 5.9558996439287775,
"density_atomic": 0.08342592110647397,
"volume": 203.77359667750525,
"volume_molar": 7.218548719784735,
"formula_full": "Li1 Nb1 Te2 W1 O12",
"formula_reduced": "LiNbTe2WO12",
"formula_anonymous": "ABCD2E12",
"energy_above_hull": 3.201250407843137,
"spacegroup": 1
}
]
}