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=63",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=61",
"results": [
{
"id": "jvasp-111945",
"created_at": "2022-09-04T14:38:50.005669Z",
"updated_at": "2022-09-04T14:38:50.005687Z",
"structure_string": "Li4 Ni3 Sb1 P4 O16\n1.0\n6.196045 0.000000 0.000000\n0.000000 4.746154 0.082235\n0.000000 0.061421 10.256820\nLi Ni Sb P O\n4 3 1 4 16\ndirect\n0.249143 0.002079 0.024101 Li\n0.750856 0.002079 0.024101 Li\n0.743776 0.488107 0.476598 Li\n0.256223 0.488107 0.476598 Li\n0.500000 0.973795 0.274188 Ni\n0.500000 0.541289 0.784489 Ni\n0.000000 0.462463 0.221752 Ni\n0.000000 0.023449 0.716432 Sb\n0.500000 0.091852 0.582361 P\n0.500000 0.422830 0.096296 P\n0.000000 0.577927 0.922810 P\n0.000000 0.907395 0.396669 P\n0.697710 0.237530 0.648384 O\n0.000000 0.231092 0.400970 O\n0.000000 0.256225 0.930991 O\n0.299392 0.285192 0.166736 O\n0.700608 0.285192 0.166736 O\n0.500000 0.308607 0.954909 O\n0.000000 0.715508 0.057653 O\n0.203386 0.778195 0.332541 O\n0.197354 0.704153 0.842454 O\n0.500000 0.747972 0.099384 O\n0.500000 0.770944 0.599116 O\n0.796613 0.778195 0.332541 O\n0.302289 0.237530 0.648384 O\n0.000000 0.773018 0.541040 O\n0.802645 0.704153 0.842454 O\n0.500000 0.205105 0.439317 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P-Sb",
"density": 3.8843261045720223,
"density_atomic": 0.09283975204291742,
"volume": 301.59494595651574,
"volume_molar": 6.4865972037668955,
"formula_full": "Li4 Ni3 Sb1 P4 O16",
"formula_reduced": "Li4Ni3Sb(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.5874018321428567,
"spacegroup": 6
},
{
"id": "jvasp-119213",
"created_at": "2022-09-04T14:38:50.296930Z",
"updated_at": "2022-09-04T14:38:50.296945Z",
"structure_string": "Ba2 Nd1 Tl1 Cu2 O7\n1.0\n3.909471 -0.000000 0.000000\n0.000000 3.932126 0.000000\n-0.000000 -0.000000 12.735752\nBa Nd Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.498435 0.793859 Ba\n0.500000 0.498435 0.206141 Ba\n0.500000 0.497517 0.500000 Nd\n-0.000000 0.940070 -0.000000 Tl\n-0.000000 0.998229 0.635114 Cu\n-0.000000 0.998229 0.364886 Cu\n0.500000 0.996806 0.619429 O\n-0.000000 0.498243 0.620161 O\n0.500000 0.996806 0.380571 O\n-0.000000 0.498243 0.379839 O\n-0.000000 0.013120 0.832532 O\n-0.000000 0.013120 0.167468 O\n0.500000 0.600958 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Nd-O-Tl",
"density": 7.3142746100707585,
"density_atomic": 0.06640080385333667,
"volume": 195.78076236417044,
"volume_molar": 9.069379300439575,
"formula_full": "Ba2 Nd1 Tl1 Cu2 O7",
"formula_reduced": "Ba2NdTlCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.406073956923077,
"spacegroup": 25
},
{
"id": "jvasp-119715",
"created_at": "2022-09-04T14:38:50.456675Z",
"updated_at": "2022-09-04T14:38:50.456702Z",
"structure_string": "Sc1 Cr2 Ag1 H4 O10\n1.0\n5.614628 -0.051791 -0.078871\n-2.796785 4.901179 -2.144666\n0.096829 0.024956 7.341067\nSc Cr Ag H O\n1 2 1 4 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.636381 0.237335 0.317205 Cr\n0.363619 0.762666 0.682795 Cr\n0.000000 0.000000 0.500000 Ag\n0.241899 0.494560 0.957925 H\n0.701202 0.432552 0.800211 H\n0.758102 0.505441 0.042075 H\n0.298799 0.567449 0.199789 H\n0.170485 0.919801 0.744614 O\n0.777407 0.577579 0.937812 O\n0.222594 0.422422 0.062188 O\n0.607999 0.298785 0.547904 O\n0.829515 0.080200 0.255387 O\n0.680227 0.967474 0.828466 O\n0.319774 0.032527 0.171534 O\n0.209876 0.473491 0.712455 O\n0.790124 0.526510 0.287545 O\n0.392001 0.701217 0.452096 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sc",
"Cr",
"Ag",
"H",
"O"
],
"chemical_system": "Ag-Cr-H-O-Sc",
"density": 3.471480462854629,
"density_atomic": 0.08941677104998472,
"volume": 201.3045180298207,
"volume_molar": 6.7349119066641014,
"formula_full": "Sc1 Cr2 Ag1 H4 O10",
"formula_reduced": "ScCr2Ag(H2O5)2",
"formula_anonymous": "ABC2D4E10",
"energy_above_hull": 3.1374184616666665,
"spacegroup": 2
},
{
"id": "jvasp-119114",
"created_at": "2022-09-04T14:38:51.069302Z",
"updated_at": "2022-09-04T14:38:51.069329Z",
"structure_string": "Ba2 Y1 Cu2 Hg1 O7\n1.0\n3.862894 0.000000 0.000000\n0.000000 3.862894 0.000000\n-0.000000 -0.000000 12.615968\nBa Y Cu Hg O\n2 1 2 1 7\ndirect\n0.499999 0.499999 0.204000 Ba\n0.499999 0.499999 0.796001 Ba\n0.499999 0.499999 0.500000 Y\n0.000000 0.000000 0.367224 Cu\n0.000000 0.000000 0.632776 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.168800 O\n0.000000 0.000000 0.831200 O\n-0.000000 0.499999 0.387333 O\n-0.000000 0.499999 0.612667 O\n0.499999 0.000000 0.387333 O\n0.499999 0.000000 0.612667 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"Hg",
"O"
],
"chemical_system": "Ba-Cu-Hg-O-Y",
"density": 7.085116464754626,
"density_atomic": 0.06905532785525954,
"volume": 188.2548443944556,
"volume_molar": 8.720747474579296,
"formula_full": "Ba2 Y1 Cu2 Hg1 O7",
"formula_reduced": "Ba2YCu2HgO7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.4346521069230769,
"spacegroup": 123
},
{
"id": "jvasp-122466",
"created_at": "2022-09-04T14:38:54.108663Z",
"updated_at": "2022-09-04T14:38:54.108700Z",
"structure_string": "Sr3 Ti2 Mn2 Bi1 O12\n1.0\n5.273271 0.001865 7.905640\n2.396093 4.697460 7.905640\n0.003043 0.001865 9.502975\nSr Ti Mn Bi O\n3 2 2 1 12\ndirect\n0.747846 0.747844 0.747848 Sr\n0.500000 0.499999 0.500001 Sr\n0.252154 0.252153 0.252155 Sr\n0.124474 0.124474 0.124475 Ti\n0.875525 0.875524 0.875528 Ti\n0.625242 0.625241 0.625243 Mn\n0.374758 0.374757 0.374759 Mn\n0.000000 0.000000 0.000000 Bi\n0.250217 0.752703 0.752705 O\n-0.000000 0.499999 0.500001 O\n-0.000000 -0.000001 0.500001 O\n0.247296 0.247295 0.749784 O\n0.752703 0.752703 0.250219 O\n0.500000 -0.000001 0.500001 O\n0.752704 0.250216 0.752705 O\n-0.000000 0.500000 0.000000 O\n0.749782 0.247295 0.247297 O\n0.247296 0.749782 0.247297 O\n0.500000 0.499999 0.000001 O\n0.500000 -0.000001 0.000000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr-Ti",
"density": 6.138365734383402,
"density_atomic": 0.08503395891776291,
"volume": 235.2001512635931,
"volume_molar": 7.082042088413248,
"formula_full": "Sr3 Ti2 Mn2 Bi1 O12",
"formula_reduced": "Sr3Ti2Mn2BiO12",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.6621073189712643,
"spacegroup": 166
},
{
"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-59853",
"created_at": "2022-09-04T14:36:31.105382Z",
"updated_at": "2022-09-04T14:36:31.105411Z",
"structure_string": "Y2 Co6 Se4 Cl2 O16\n1.0\n6.273357 -0.000079 -0.006692\n-0.000032 6.898545 -0.001472\n0.009838 0.002461 9.386328\nY Co Se Cl O\n2 6 4 2 16\ndirect\n0.750001 0.736647 0.250000 Y\n0.250000 0.263354 0.750001 Y\n0.500000 -0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.794824 0.750004 Co\n0.750002 0.205176 0.249996 Co\n0.000000 -0.000000 0.500000 Co\n0.750013 0.409448 0.563034 Se\n0.249989 0.590552 0.436966 Se\n0.250002 0.590545 0.063052 Se\n0.749999 0.409456 0.936949 Se\n0.749930 0.859179 0.750059 Cl\n0.250071 0.140822 0.249941 Cl\n0.033817 0.746533 0.412904 O\n0.466376 0.746362 0.413097 O\n0.533811 0.253488 0.912898 O\n0.250000 -0.012567 0.610982 O\n0.750000 0.012566 0.389018 O\n0.966361 0.253628 0.913071 O\n0.033640 0.746373 0.086929 O\n0.750006 0.012574 0.110983 O\n0.966184 0.253467 0.587097 O\n0.533625 0.253639 0.586904 O\n0.466190 0.746513 0.087102 O\n0.249770 0.574613 0.621927 O\n0.749804 0.425389 0.121906 O\n0.250197 0.574611 0.878094 O\n0.249995 -0.012574 0.889018 O\n0.750231 0.425387 0.378074 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Se-Y",
"density": 4.799742399829382,
"density_atomic": 0.07385289330912025,
"volume": 406.2129275617051,
"volume_molar": 8.154238094360906,
"formula_full": "Y2 Co6 Se4 Cl2 O16",
"formula_reduced": "YCo3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.802581130055556,
"spacegroup": 59
},
{
"id": "jvasp-101854",
"created_at": "2022-09-04T14:36:40.363133Z",
"updated_at": "2022-09-04T14:36:40.363151Z",
"structure_string": "H2 C6 S4 N2 O2\n1.0\n4.127794 -0.002097 0.356320\n0.113596 4.425245 0.046546\n-0.027881 -0.066929 12.106913\nH C S N O\n2 6 4 2 2\ndirect\n0.921696 0.730591 0.361114 H\n0.421681 0.730600 0.861114 H\n0.857660 0.688396 0.197195 C\n0.357649 0.688405 0.697195 C\n0.389645 0.165489 0.806716 C\n0.889657 0.165480 0.306717 C\n0.734356 0.372850 0.225102 C\n0.234346 0.372859 0.725101 C\n0.464072 0.296460 0.930161 S\n0.964076 0.296451 0.430162 S\n0.916792 0.793562 0.067931 S\n0.416790 0.793569 0.567931 S\n0.895441 0.860450 0.289915 N\n0.395423 0.860459 0.789915 N\n0.482864 0.293576 0.188113 O\n0.982852 0.293583 0.688111 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9693969545015626,
"density_atomic": 0.07233013977342088,
"volume": 221.20792314408757,
"volume_molar": 8.325907815005982,
"formula_full": "H2 C6 S4 N2 O2",
"formula_reduced": "HC3S2NO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.6695533437500005,
"spacegroup": 1
},
{
"id": "jvasp-95312",
"created_at": "2022-09-04T14:36:22.364218Z",
"updated_at": "2022-09-04T14:36:22.364244Z",
"structure_string": "Rb1 Na3 Li12 Si4 O16\n1.0\n5.840629 -0.000022 2.393559\n2.920275 7.706914 1.196804\n-0.002195 0.000026 8.328167\nRb Na Li Si O\n1 3 12 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Na\n0.750001 0.500001 0.500000 Na\n0.250001 0.500000 0.500000 Na\n0.148159 0.872923 0.340549 Li\n0.638370 0.872924 0.340551 Li\n0.851843 0.127077 0.659451 Li\n0.978918 0.659451 0.872925 Li\n0.925700 0.358869 0.789732 Li\n0.511295 0.340548 0.127075 Li\n0.361632 0.127076 0.659449 Li\n0.488706 0.659452 0.872924 Li\n0.284573 0.789732 0.641129 Li\n0.074302 0.641131 0.210268 Li\n0.715429 0.210269 0.358870 Li\n0.021084 0.340550 0.127074 Li\n0.424633 0.355280 0.795457 Si\n0.575369 0.644720 0.204542 Si\n0.779913 0.795457 0.644718 Si\n0.220089 0.204543 0.355281 Si\n0.106012 0.219484 0.568491 O\n0.674504 0.431510 0.219481 O\n0.325497 0.568490 0.780519 O\n0.893990 0.780516 0.431509 O\n0.161708 0.404154 0.272431 O\n0.838294 0.595846 0.727569 O\n0.434141 0.727567 0.404153 O\n0.522041 0.111126 0.280360 O\n0.633166 0.280357 0.888875 O\n0.802403 0.719642 0.111124 O\n0.366835 0.719643 0.111125 O\n0.477961 0.888874 0.719640 O\n0.197599 0.280358 0.888876 O\n0.086473 0.111126 0.280360 O\n0.565860 0.272433 0.595846 O\n0.913529 0.888874 0.719640 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Rb",
"Na",
"Li",
"Si",
"O"
],
"chemical_system": "Li-Na-O-Rb-Si",
"density": 2.684285558234981,
"density_atomic": 0.0960208212623999,
"volume": 374.9186845801014,
"volume_molar": 6.271703033598367,
"formula_full": "Rb1 Na3 Li12 Si4 O16",
"formula_reduced": "RbNa3Li12(SiO4)4",
"formula_anonymous": "AB3C4D12E16",
"energy_above_hull": 1.956729094444444,
"spacegroup": 87
},
{
"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-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-89948",
"created_at": "2022-09-04T14:35:42.011569Z",
"updated_at": "2022-09-04T14:35:42.011598Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n4.110878 -0.000000 -0.000000\n-0.000000 4.110878 -0.000000\n-2.055438 -2.055438 10.524532\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316921 0.316921 0.633844 Sr\n0.683079 0.683079 0.366156 Sr\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.903620 0.903620 0.807239 Sb\n0.096380 0.096380 0.192761 Sb\n0.500000 0.500000 0.000000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb-Sr-Ti",
"density": 5.307623586093512,
"density_atomic": 0.05060233296718624,
"volume": 177.8574123417624,
"volume_molar": 11.900915248127271,
"formula_full": "Sr2 Ti2 Sb2 O1 F2",
"formula_reduced": "Sr2Ti2Sb2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2945517279629626,
"spacegroup": 139
}
]
}