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=444",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=442",
"results": [
{
"id": "jvasp-62630",
"created_at": "2022-09-04T14:36:15.673693Z",
"updated_at": "2022-09-04T14:36:15.673711Z",
"structure_string": "Ba1 Ti1 B2 O6\n1.0\n5.648551 -2.541280 -0.023774\n5.648551 2.541280 -0.023774\n4.523141 0.000000 4.231548\nBa Ti B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.500001 Ti\n0.765427 0.765427 0.765429 B\n0.234572 0.234572 0.234573 B\n0.650651 0.071628 0.565753 O\n0.565752 0.650651 0.071629 O\n0.071628 0.565752 0.650652 O\n0.349348 0.928371 0.434249 O\n0.434247 0.349348 0.928373 O\n0.928371 0.434247 0.349350 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"B",
"O"
],
"chemical_system": "B-Ba-O-Ti",
"density": 4.120542979432716,
"density_atomic": 0.08194674273031406,
"volume": 122.03047573116973,
"volume_molar": 7.34884701862868,
"formula_full": "Ba1 Ti1 B2 O6",
"formula_reduced": "BaTi(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.933473047,
"spacegroup": 148
},
{
"id": "jvasp-34331",
"created_at": "2022-09-04T14:36:39.075557Z",
"updated_at": "2022-09-04T14:36:39.075575Z",
"structure_string": "Ba2 Pb4 I2 F10\n1.0\n6.075368 0.000000 -0.000000\n0.000000 6.075368 0.000000\n0.000000 0.000000 9.998971\nBa Pb I F\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.692040 Pb\n0.500000 0.000000 0.733496 Pb\n0.000000 0.500000 0.266504 Pb\n0.500000 0.000000 0.307960 Pb\n0.000000 0.000000 0.500000 I\n0.500000 0.500000 0.500000 I\n0.236218 0.736218 0.819821 F\n0.500000 0.000000 0.966725 F\n0.736218 0.763783 0.180179 F\n0.236218 0.263783 0.819821 F\n0.000000 0.500000 0.033275 F\n0.763783 0.736218 0.819821 F\n0.263783 0.763783 0.180179 F\n0.763783 0.263783 0.819821 F\n0.263783 0.236218 0.180179 F\n0.736218 0.236218 0.180179 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"I",
"F"
],
"chemical_system": "Ba-F-I-Pb",
"density": 6.961586943070904,
"density_atomic": 0.04877216311498473,
"volume": 369.0629828651108,
"volume_molar": 12.347495733995364,
"formula_full": "Ba2 Pb4 I2 F10",
"formula_reduced": "BaPb2IF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-105683",
"created_at": "2022-09-04T14:36:18.821562Z",
"updated_at": "2022-09-04T14:36:18.821588Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n6.663139 0.000000 3.846965\n2.221046 6.282068 3.846965\n0.000000 0.000000 7.693930\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.745849 0.254152 0.254151 Br\n0.254152 0.254152 0.745848 Br\n0.254152 0.745849 0.745847 Br\n0.254152 0.745849 0.254151 Br\n0.745849 0.254152 0.745847 Br\n0.745849 0.745849 0.254150 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Rb-Y",
"density": 3.8474976130846827,
"density_atomic": 0.03105061904485963,
"volume": 322.05477080997133,
"volume_molar": 19.394591622471864,
"formula_full": "Rb2 Li1 Y1 Br6",
"formula_reduced": "Rb2LiYBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99126",
"created_at": "2022-09-04T14:36:09.304112Z",
"updated_at": "2022-09-04T14:36:09.304143Z",
"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Sr-Zr",
"density": 3.8836272226866986,
"density_atomic": 0.0761017084849382,
"volume": 315.3674270630862,
"volume_molar": 7.913279320387243,
"formula_full": "Sr2 Zr2 P4 O16",
"formula_reduced": "SrZr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.6990508175000003,
"spacegroup": 2
},
{
"id": "jvasp-34270",
"created_at": "2022-09-04T14:36:33.557237Z",
"updated_at": "2022-09-04T14:36:33.557253Z",
"structure_string": "Pb2 C2 Cl2 O4\n1.0\n4.172651 -0.009439 0.282658\n0.022388 4.172627 0.282582\n0.025049 0.024687 9.445239\nPb C Cl O\n2 2 2 4\ndirect\n0.780772 0.780786 0.777339 Pb\n0.219228 0.219215 0.222661 Pb\n0.631814 0.368185 0.500001 C\n0.368187 0.631814 0.499999 C\n0.729496 0.729490 0.114440 Cl\n0.270505 0.270511 0.885560 Cl\n0.328024 0.789749 0.609491 O\n0.210251 0.671980 0.390510 O\n0.789749 0.328021 0.609490 O\n0.671976 0.210252 0.390510 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-O-Pb",
"density": 5.791149975490871,
"density_atomic": 0.06082958239520111,
"volume": 164.39369803710682,
"volume_molar": 9.900019896363931,
"formula_full": "Pb2 C2 Cl2 O4",
"formula_reduced": "PbCClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.1303123775,
"spacegroup": 12
},
{
"id": "jvasp-96258",
"created_at": "2022-09-04T14:36:09.519007Z",
"updated_at": "2022-09-04T14:36:09.519023Z",
"structure_string": "K3 B12 H12 Br1\n1.0\n6.783660 -0.005350 -0.416018\n-0.441985 6.769248 -0.416018\n-0.005017 -0.005350 6.796402\nK B H Br\n3 12 12 1\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.873919 0.873918 0.164526 B\n0.873918 0.164527 0.873917 B\n0.835473 0.126082 0.126082 B\n0.126082 0.126082 0.835473 B\n0.126083 0.835473 0.126082 B\n0.062225 0.062225 0.241065 B\n0.164527 0.873918 0.873917 B\n0.241065 0.062225 0.062225 B\n0.758935 0.937775 0.937774 B\n0.937775 0.937775 0.758934 B\n0.937775 0.758935 0.937774 B\n0.062225 0.241065 0.062225 B\n0.278727 0.782033 0.782032 H\n0.721273 0.217967 0.217967 H\n0.217967 0.217967 0.721273 H\n0.217967 0.721273 0.217967 H\n0.892479 0.892479 0.588152 H\n0.411847 0.107521 0.107521 H\n0.588153 0.892479 0.892478 H\n0.107521 0.107521 0.411847 H\n0.107521 0.411847 0.107521 H\n0.782033 0.278727 0.782032 H\n0.892479 0.588153 0.892478 H\n0.782033 0.782033 0.278727 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"B",
"H",
"Br"
],
"chemical_system": "B-Br-H-K",
"density": 1.8041107746271903,
"density_atomic": 0.08973025416072006,
"volume": 312.0463689966585,
"volume_molar": 6.711382706231348,
"formula_full": "K3 B12 H12 Br1",
"formula_reduced": "K3B12H12Br",
"formula_anonymous": "AB3C12D12",
"energy_above_hull": 3.72874925375,
"spacegroup": 166
},
{
"id": "jvasp-97357",
"created_at": "2022-09-04T14:36:18.816310Z",
"updated_at": "2022-09-04T14:36:18.816333Z",
"structure_string": "Ba2 Eu1 Nb1 O6\n1.0\n5.272930 0.000000 3.044328\n1.757643 4.971367 3.044328\n-0.000000 -0.000000 6.088656\nBa Eu Nb O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500001 Eu\n0.000000 0.000000 0.000000 Nb\n0.234503 0.765497 0.765497 O\n0.234503 0.765497 0.234504 O\n0.765496 0.234504 0.765497 O\n0.234503 0.234504 0.765497 O\n0.765496 0.234504 0.234504 O\n0.765496 0.765497 0.234504 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Nb-O",
"density": 6.403870602537594,
"density_atomic": 0.06265427820427875,
"volume": 159.6060203166954,
"volume_molar": 9.611699204905596,
"formula_full": "Ba2 Eu1 Nb1 O6",
"formula_reduced": "Ba2EuNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.161313234,
"spacegroup": 225
},
{
"id": "jvasp-85696",
"created_at": "2022-09-04T14:36:09.541424Z",
"updated_at": "2022-09-04T14:36:09.541451Z",
"structure_string": "K2 H2 C2 O4\n1.0\n2.960790 3.368692 -0.000000\n-2.960790 3.368692 -0.000000\n0.000000 -0.000000 6.825285\nK H C O\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.568107 0.568107 0.250000 H\n0.431893 0.431893 0.749999 H\n0.402589 0.402589 0.250000 C\n0.597411 0.597411 0.749999 C\n0.125300 0.505972 0.250000 O\n0.494028 0.874700 0.749999 O\n0.874700 0.494028 0.749999 O\n0.505972 0.125300 0.250000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.0518077516958417,
"density_atomic": 0.07344805560434677,
"volume": 136.1506430322464,
"volume_molar": 8.199183369047011,
"formula_full": "K2 H2 C2 O4",
"formula_reduced": "KHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.387765,
"spacegroup": 63
},
{
"id": "jvasp-96394",
"created_at": "2022-09-04T14:36:11.510705Z",
"updated_at": "2022-09-04T14:36:11.510733Z",
"structure_string": "Al4 H16 N4 F16\n1.0\n5.076894 0.000000 0.000000\n0.000000 5.076894 0.000000\n0.000000 0.000000 12.793718\nAl H N F\n4 16 4 16\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.168195 0.001121 0.703485 H\n0.501121 0.668194 0.203485 H\n0.331805 0.501121 0.703485 H\n0.001121 0.831804 0.796515 H\n0.168195 0.001121 0.296515 H\n0.501121 0.668194 0.796515 H\n0.331805 0.501121 0.296515 H\n0.001121 0.831804 0.203485 H\n0.831804 0.998878 0.296515 H\n0.498879 0.331805 0.796515 H\n0.668194 0.498879 0.296515 H\n0.998878 0.168195 0.203485 H\n0.831804 0.998878 0.703485 H\n0.498879 0.331805 0.203485 H\n0.668194 0.498879 0.703485 H\n0.998878 0.168195 0.796515 H\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n0.500000 0.500000 0.250000 N\n0.500000 0.500000 0.750000 N\n0.803118 0.803477 0.500000 F\n0.803477 0.196881 0.000000 F\n0.696521 0.696880 0.000000 F\n0.303119 0.696521 0.500000 F\n0.196522 0.803118 0.000000 F\n0.196881 0.196522 0.500000 F\n0.000000 0.500000 0.859475 F\n0.500000 0.000000 0.140525 F\n0.500000 0.000000 0.859475 F\n0.000000 0.500000 0.359475 F\n0.000000 0.500000 0.140525 F\n0.500000 0.000000 0.640525 F\n0.000000 0.500000 0.640525 F\n0.696880 0.303478 0.500000 F\n0.500000 0.000000 0.359475 F\n0.303478 0.303119 0.000000 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Al",
"H",
"N",
"F"
],
"chemical_system": "Al-F-H-N",
"density": 2.437532107503851,
"density_atomic": 0.12130173865285082,
"volume": 329.75619677203963,
"volume_molar": 4.964595583608702,
"formula_full": "Al4 H16 N4 F16",
"formula_reduced": "AlH4NF4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.7742317180000002,
"spacegroup": 135
},
{
"id": "jvasp-12629",
"created_at": "2022-09-04T14:36:34.522451Z",
"updated_at": "2022-09-04T14:36:34.522466Z",
"structure_string": "Ba1 Sr1 Fe4 O8\n1.0\n2.754992 -4.771786 -0.000000\n2.754992 4.771786 -0.000000\n0.000000 0.000000 8.106359\nBa Sr Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.769347 Fe\n0.666667 0.333333 0.230653 Fe\n0.333333 0.666667 0.230653 Fe\n0.333333 0.666667 0.769347 Fe\n0.334596 -0.000000 0.290550 O\n0.665403 0.665403 0.290550 O\n-0.000000 0.334596 0.290550 O\n0.665403 1.000000 0.709451 O\n1.000000 0.665403 0.709451 O\n0.334596 0.334596 0.709451 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Sr",
"density": 4.4901134774732165,
"density_atomic": 0.06568571115026592,
"volume": 213.13615632436253,
"volume_molar": 9.168113817361967,
"formula_full": "Ba1 Sr1 Fe4 O8",
"formula_reduced": "BaSr(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.712515877142857,
"spacegroup": 162
},
{
"id": "jvasp-45671",
"created_at": "2022-09-04T14:36:34.385478Z",
"updated_at": "2022-09-04T14:36:34.385499Z",
"structure_string": "Pr2 Zn2 Bi4 O12\n1.0\n0.000000 6.508658 -0.000795\n5.703384 0.000000 0.000000\n0.000000 -0.000875 -8.557640\nPr Zn Bi O\n2 2 4 12\ndirect\n0.836843 0.036977 0.249996 Pr\n0.163158 0.536977 0.750005 Pr\n0.101457 0.527127 0.249995 Zn\n0.898544 0.027127 0.750006 Zn\n0.283634 0.008565 0.008064 Bi\n0.283628 0.008563 0.491929 Bi\n0.716373 0.508562 0.508071 Bi\n0.716367 0.508565 0.991936 Bi\n0.957023 0.810841 0.925850 O\n0.410844 0.658817 0.564937 O\n0.410846 0.658813 0.935059 O\n0.763705 0.628935 0.250005 O\n0.810080 0.350522 0.750004 O\n0.589155 0.158814 0.064941 O\n0.042976 0.310835 0.425840 O\n0.589157 0.158818 0.435064 O\n0.957025 0.810835 0.574161 O\n0.236297 0.128936 0.749995 O\n0.042978 0.310842 0.074151 O\n0.189922 0.850521 0.249997 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Pr-Zn",
"density": 7.530063832623938,
"density_atomic": 0.0629581434165872,
"volume": 317.6713752129279,
"volume_molar": 9.565308684775134,
"formula_full": "Pr2 Zn2 Bi4 O12",
"formula_reduced": "PrZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7787429850000005,
"spacegroup": 31
},
{
"id": "jvasp-97551",
"created_at": "2022-09-04T14:36:11.967900Z",
"updated_at": "2022-09-04T14:36:11.967934Z",
"structure_string": "Na4 B8 H40 O34\n1.0\n5.629664 5.198382 -1.731686\n-5.629664 5.198382 1.731686\n-0.089462 0.000000 12.134179\nNa B H O\n4 8 40 34\ndirect\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.149275 0.149275 0.750000 Na\n0.850725 0.850725 0.250000 Na\n0.556943 0.356600 0.396324 B\n0.356600 0.556943 0.103676 B\n0.643400 0.443056 0.896324 B\n0.443057 0.643400 0.603676 B\n0.255425 0.431696 0.282758 B\n0.568303 0.744575 0.782758 B\n0.744575 0.568303 0.717242 B\n0.431696 0.255425 0.217242 B\n0.677949 0.069167 0.535973 H\n0.966961 0.228929 0.301523 H\n0.228929 0.966961 0.198477 H\n0.724966 0.886203 0.618847 H\n0.886204 0.724966 0.881153 H\n0.275034 0.113796 0.381153 H\n0.113796 0.275034 0.118847 H\n0.069168 0.677949 0.964027 H\n0.374978 0.139482 0.593297 H\n0.284242 0.479557 0.839700 H\n0.479557 0.284242 0.660300 H\n0.715757 0.520442 0.160300 H\n0.520442 0.715757 0.339700 H\n0.771071 0.033038 0.801523 H\n0.139482 0.374977 0.906703 H\n0.625022 0.860517 0.406703 H\n0.860517 0.625022 0.093297 H\n0.930832 0.322051 0.035973 H\n0.033038 0.771071 0.698477 H\n0.322051 0.930832 0.464027 H\n0.176562 0.770482 0.191721 H\n0.770482 0.176562 0.308279 H\n0.500922 0.992536 0.774984 H\n0.992536 0.500922 0.725016 H\n0.007464 0.499077 0.274984 H\n0.652971 0.424709 0.546400 H\n0.424709 0.652970 0.953600 H\n0.347029 0.575291 0.453600 H\n0.575291 0.347029 0.046400 H\n0.911181 0.315121 0.537101 H\n0.499078 0.007464 0.225016 H\n0.315122 0.911181 0.962899 H\n0.088818 0.684878 0.462899 H\n0.684878 0.088818 0.037101 H\n0.649482 0.925404 0.980690 H\n0.925404 0.649482 0.519310 H\n0.350518 0.074596 0.019310 H\n0.074596 0.350518 0.480690 H\n0.823438 0.229518 0.808279 H\n0.229518 0.823437 0.691721 H\n0.282594 0.032589 0.950070 O\n0.032590 0.282594 0.549931 O\n0.717405 0.967410 0.049930 O\n0.967410 0.717405 0.450070 O\n0.121894 0.871993 0.697442 O\n0.871993 0.121894 0.802558 O\n0.878106 0.128006 0.302558 O\n0.712651 0.953046 0.537211 O\n0.953046 0.712651 0.962789 O\n0.171761 0.409145 0.829743 O\n0.046954 0.287348 0.037211 O\n0.287348 0.046954 0.462789 O\n0.409146 0.171761 0.670257 O\n0.679458 0.347187 0.498402 O\n0.128006 0.878106 0.197442 O\n0.347187 0.679458 0.001598 O\n0.583385 0.541701 0.624759 O\n0.652813 0.320541 0.998402 O\n0.590854 0.828239 0.329743 O\n0.736241 0.736241 0.750000 O\n0.263759 0.263759 0.250000 O\n0.738996 0.422778 0.819375 O\n0.422778 0.738995 0.680625 O\n0.261004 0.577222 0.180625 O\n0.320542 0.652813 0.501598 O\n0.577222 0.261004 0.319375 O\n0.416615 0.458299 0.375241 O\n0.458299 0.416615 0.124759 O\n0.898377 0.568429 0.670628 O\n0.568430 0.898377 0.829372 O\n0.101623 0.431570 0.329372 O\n0.431570 0.101623 0.170628 O\n0.541701 0.583385 0.875241 O\n0.828239 0.590854 0.170257 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Na",
"B",
"H",
"O"
],
"chemical_system": "B-H-Na-O",
"density": 1.787405258974482,
"density_atomic": 0.12136499081712597,
"volume": 708.6063239570108,
"volume_molar": 4.962008170110789,
"formula_full": "Na4 B8 H40 O34",
"formula_reduced": "Na2B4H20O17",
"formula_anonymous": "A2B4C17D20",
"energy_above_hull": 3.258455763565891,
"spacegroup": 15
}
]
}