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=spacegroup&page=710",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=708",
"results": [
{
"id": "jvasp-119080",
"created_at": "2022-09-04T14:38:33.914961Z",
"updated_at": "2022-09-04T14:38:33.914982Z",
"structure_string": "Pu6 F24\n1.0\n7.389546 -0.017798 3.762050\n-0.381795 7.379698 3.762050\n0.004807 0.005050 8.294575\nPu F\n6 24\ndirect\n0.633289 0.777792 0.668561 Pu\n0.366713 0.222208 0.331439 Pu\n0.222209 0.366712 0.831439 Pu\n0.777792 0.633288 0.168561 Pu\n0.786425 0.213575 0.750000 Pu\n0.213576 0.786425 0.250000 Pu\n0.498295 0.742775 0.214964 F\n0.742776 0.498294 0.714964 F\n0.257225 0.501706 0.285036 F\n0.402573 0.815615 0.927150 F\n0.815616 0.402572 0.427150 F\n0.184386 0.597428 0.572850 F\n0.501706 0.257225 0.785036 F\n0.726453 0.030913 0.645914 F\n0.273548 0.969087 0.354086 F\n0.597428 0.184385 0.072850 F\n0.000000 0.500000 -0.000000 F\n0.398328 0.601673 0.750000 F\n0.601674 0.398327 0.250000 F\n0.969088 0.273547 0.854086 F\n0.935218 0.826684 0.454747 F\n0.064784 0.173316 0.545253 F\n0.173316 0.064784 0.045253 F\n0.826686 0.935216 0.954747 F\n0.256777 0.318076 0.106764 F\n0.743225 0.681924 0.893235 F\n0.681925 0.743224 0.393235 F\n0.318076 0.256776 0.606765 F\n0.500000 -0.000000 0.500000 F\n0.030913 0.726453 0.145913 F\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Pu",
"F"
],
"chemical_system": "F-Pu",
"density": 7.053677714642593,
"density_atomic": 0.06637357495395042,
"volume": 451.98710512148574,
"volume_molar": 9.07309989582168,
"formula_full": "Pu6 F24",
"formula_reduced": "PuF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.8371562260000003,
"spacegroup": 15
},
{
"id": "jvasp-12716",
"created_at": "2022-09-04T14:38:33.660845Z",
"updated_at": "2022-09-04T14:38:33.660872Z",
"structure_string": "V2 Si4 O12\n1.0\n6.248258 0.056398 -1.664147\n-0.256161 6.243260 1.664147\n0.015051 -0.014316 5.345103\nV Si O\n2 4 12\ndirect\n0.899452 0.899452 0.250000 V\n0.100548 0.100548 0.750000 V\n0.786392 0.385208 0.247466 Si\n0.614793 0.213608 0.747465 Si\n0.385208 0.786392 0.252534 Si\n0.213608 0.614792 0.752534 Si\n0.956708 0.184627 0.366244 O\n0.815373 0.043292 0.866244 O\n0.901449 0.622869 0.223290 O\n0.043293 0.815372 0.633755 O\n0.650513 0.368329 0.952883 O\n0.349487 0.631670 0.047116 O\n0.622869 0.901449 0.276710 O\n0.368330 0.650513 0.547116 O\n0.098551 0.377131 0.776710 O\n0.184627 0.956707 0.133756 O\n0.377131 0.098551 0.723289 O\n0.631670 0.349487 0.452883 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 3.229203987797521,
"density_atomic": 0.08617076291384242,
"volume": 208.88755526044542,
"volume_molar": 6.988612559948227,
"formula_full": "V2 Si4 O12",
"formula_reduced": "V(SiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.9971936,
"spacegroup": 15
},
{
"id": "jvasp-20128",
"created_at": "2022-09-04T14:38:34.565485Z",
"updated_at": "2022-09-04T14:38:34.565512Z",
"structure_string": "C2 F8\n1.0\n4.023320 -0.000000 1.191702\n2.018920 4.183297 0.571340\n-0.013002 -0.152674 7.431339\nC F\n2 8\ndirect\n0.942732 0.250000 0.250000 C\n0.057268 0.750001 0.750000 C\n0.977994 0.501664 0.296664 F\n0.276324 -0.001664 0.203335 F\n0.022005 0.498337 0.703335 F\n0.723676 0.001664 0.796664 F\n0.279272 0.822205 0.603560 F\n0.205036 0.677797 0.896440 F\n0.720728 0.177796 0.396440 F\n0.794964 0.322204 0.103560 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"C",
"F"
],
"chemical_system": "C-F",
"density": 2.335847749782511,
"density_atomic": 0.0799211055709802,
"volume": 125.12339423431419,
"volume_molar": 7.535106924480124,
"formula_full": "C2 F8",
"formula_reduced": "CF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7956522260000002,
"spacegroup": 15
},
{
"id": "jvasp-57186",
"created_at": "2022-09-04T14:38:33.906206Z",
"updated_at": "2022-09-04T14:38:33.906220Z",
"structure_string": "Na2 Mg2 B2 O6\n1.0\n4.946574 0.000000 0.883802\n2.473287 4.429226 0.441901\n0.044496 0.000000 5.522599\nNa Mg B O\n2 2 2 6\ndirect\n0.334314 0.331374 0.250000 Na\n0.665686 0.668627 0.750000 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.668069 0.663863 0.250000 B\n0.331931 0.336138 0.750000 B\n0.187178 0.181408 0.697929 O\n0.824427 0.351144 0.250000 O\n0.631414 0.181408 0.802071 O\n0.368586 0.818593 0.197929 O\n0.175573 0.648857 0.750000 O\n0.812822 0.818593 0.302071 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-Na-O",
"density": 2.916490081351305,
"density_atomic": 0.09931869987688542,
"volume": 120.82316839502624,
"volume_molar": 6.063451059533595,
"formula_full": "Na2 Mg2 B2 O6",
"formula_reduced": "NaMgBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.438780188888889,
"spacegroup": 15
},
{
"id": "jvasp-53326",
"created_at": "2022-09-04T14:38:34.018997Z",
"updated_at": "2022-09-04T14:38:34.019011Z",
"structure_string": "Yb2 S4\n1.0\n4.092896 0.000000 1.224015\n1.972464 4.377054 0.859398\n0.084750 0.107946 7.171591\nYb S\n2 4\ndirect\n0.869339 0.750000 0.250000 Yb\n0.130661 0.250001 0.750000 Yb\n0.212458 0.788896 0.529858 S\n0.531213 0.711104 0.970142 S\n0.787542 0.211104 0.470141 S\n0.468787 0.288896 0.029858 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"S"
],
"chemical_system": "S-Yb",
"density": 6.158180435338075,
"density_atomic": 0.04690993306897993,
"volume": 127.90468046878567,
"volume_molar": 12.837666494097501,
"formula_full": "Yb2 S4",
"formula_reduced": "YbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9336033333333332,
"spacegroup": 15
},
{
"id": "jvasp-20840",
"created_at": "2022-09-04T14:38:33.994014Z",
"updated_at": "2022-09-04T14:38:33.994036Z",
"structure_string": "Sm4 Te8 O22\n1.0\n5.139819 -0.000000 0.848620\n2.455017 6.267761 1.120179\n0.011621 -0.050536 15.919036\nSm Te O\n4 8 22\ndirect\n0.636990 0.700395 0.536814 Sm\n0.125801 0.200396 0.036814 Sm\n0.874200 0.799604 0.963186 Sm\n0.363011 0.299604 0.463186 Sm\n0.649622 0.043343 0.202545 Te\n0.895511 0.456656 0.297455 Te\n0.350379 0.956656 0.797455 Te\n0.104490 0.543343 0.702545 Te\n0.347167 0.617857 0.128727 Te\n0.652834 0.382143 0.871273 Te\n0.906250 0.117856 0.628727 Te\n0.093751 0.882143 0.371273 Te\n0.166975 0.528698 0.055721 O\n0.187849 0.129752 0.369907 O\n0.687508 0.370248 0.130093 O\n0.833026 0.471301 0.944279 O\n0.248606 0.028697 0.555722 O\n0.362291 0.249999 0.750000 O\n0.114575 0.048006 0.901178 O\n0.936240 0.548007 0.401178 O\n0.885426 0.951993 0.098822 O\n0.312493 0.629751 0.869907 O\n0.812152 0.870248 0.630094 O\n0.590216 0.370695 0.328191 O\n0.289104 0.129304 0.171809 O\n0.409785 0.629304 0.671809 O\n0.710897 0.870695 0.828192 O\n0.454146 0.813916 0.046024 O\n0.314088 0.686083 0.453976 O\n0.545854 0.186083 0.953977 O\n0.685913 0.313916 0.546024 O\n0.637709 0.750000 0.250000 O\n0.063760 0.451993 0.598823 O\n0.751395 0.971302 0.444279 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Sm",
"Te",
"O"
],
"chemical_system": "O-Sm-Te",
"density": 6.390932637702978,
"density_atomic": 0.06628221550521322,
"volume": 512.9581101181784,
"volume_molar": 9.085605715044855,
"formula_full": "Sm4 Te8 O22",
"formula_reduced": "Sm2Te4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.3309574892156864,
"spacegroup": 15
},
{
"id": "jvasp-21052",
"created_at": "2022-09-04T14:38:34.073713Z",
"updated_at": "2022-09-04T14:38:34.073734Z",
"structure_string": "Li12 Zr4 O14\n1.0\n5.996919 0.000000 0.000000\n-2.998460 5.144317 -0.929815\n0.000000 0.010409 10.250793\nLi Zr O\n12 4 14\ndirect\n0.415107 0.117200 0.583422 Li\n0.297908 0.882801 0.916578 Li\n0.584893 0.882801 0.416578 Li\n0.830306 0.864480 0.899331 Li\n0.165774 0.587873 0.103647 Li\n0.577902 0.412127 0.396353 Li\n0.834227 0.412127 0.896353 Li\n0.422099 0.587873 0.603647 Li\n0.034174 0.864480 0.399331 Li\n0.169695 0.135520 0.100670 Li\n0.965826 0.135521 0.600669 Li\n0.702093 0.117200 0.083423 Li\n0.938740 0.633816 0.636016 Zr\n0.304924 0.366185 0.863984 Zr\n0.061260 0.366185 0.363984 Zr\n0.695076 0.633816 0.136016 Zr\n0.645365 0.514189 0.759772 O\n0.833229 0.000000 0.250000 O\n0.166771 0.000000 0.750000 O\n0.762359 0.264953 0.502821 O\n0.497408 0.735048 0.997179 O\n0.237641 0.735048 0.497179 O\n0.502593 0.264952 0.002822 O\n0.002721 0.758592 0.022046 O\n0.244130 0.241409 0.477955 O\n0.997279 0.241409 0.977955 O\n0.755871 0.758592 0.522046 O\n0.354636 0.485812 0.240229 O\n0.868824 0.514189 0.259772 O\n0.131176 0.485812 0.740229 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Zr",
"O"
],
"chemical_system": "Li-O-Zr",
"density": 3.5289162782697234,
"density_atomic": 0.09484800148058517,
"volume": 316.2955416213047,
"volume_molar": 6.349254244679785,
"formula_full": "Li12 Zr4 O14",
"formula_reduced": "Li6Zr2O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 2.270368233333333,
"spacegroup": 15
},
{
"id": "jvasp-33311",
"created_at": "2022-09-04T14:38:34.134149Z",
"updated_at": "2022-09-04T14:38:34.134182Z",
"structure_string": "B4 H8 C4 O4\n1.0\n5.220288 2.218037 -0.864115\n-5.220288 2.218037 0.864115\n-0.243375 0.000000 10.033490\nB H C O\n4 8 4 4\ndirect\n0.642958 0.485924 0.485251 B\n0.485923 0.642958 0.014749 B\n0.357044 0.514078 0.514749 B\n0.514078 0.357044 -0.014749 B\n0.515908 0.205536 0.485850 H\n0.205536 0.515908 0.014150 H\n0.794465 0.484094 0.985850 H\n0.484093 0.794466 0.514150 H\n0.806374 0.662098 0.389514 H\n0.337904 0.193627 0.889514 H\n0.193627 0.337904 0.610485 H\n0.662097 0.806375 0.110486 H\n0.861094 0.618367 0.612633 C\n0.618366 0.861095 0.887367 C\n0.138907 0.381635 0.387367 C\n0.381635 0.138907 0.112633 C\n-0.015668 0.281064 0.286353 O\n0.015668 0.718937 0.713647 O\n0.718937 0.015669 0.786352 O\n0.281064 -0.015667 0.213647 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 1.1721001000498514,
"density_atomic": 0.08642352825490002,
"volume": 231.41846212308562,
"volume_molar": 6.96817276683975,
"formula_full": "B4 H8 C4 O4",
"formula_reduced": "BH2CO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.793093216666666,
"spacegroup": 15
},
{
"id": "jvasp-57137",
"created_at": "2022-09-04T14:38:34.165360Z",
"updated_at": "2022-09-04T14:38:34.165393Z",
"structure_string": "K6 Li2 Ir2 O8\n1.0\n5.772843 0.022965 1.071565\n1.203958 7.087611 0.723115\n0.025122 0.018713 7.225348\nK Li Ir O\n6 2 2 8\ndirect\n0.977441 0.934050 0.756031 K\n0.750000 0.404127 0.595874 K\n0.477441 0.756029 0.934052 K\n0.522559 0.243970 0.065950 K\n0.022559 0.065949 0.243970 K\n0.250000 0.595872 0.404128 K\n0.250000 0.269436 0.730564 Li\n0.750000 0.730562 0.269438 Li\n0.500000 -0.000001 0.500001 Ir\n0.000000 0.500000 0.000000 Ir\n0.760831 0.793468 0.518882 O\n0.529709 0.088082 0.736904 O\n0.260831 0.518880 0.793470 O\n0.029709 0.736903 0.088083 O\n0.470291 0.911916 0.263098 O\n0.970290 0.263096 0.911918 O\n0.739168 0.481118 0.206532 O\n0.239168 0.206531 0.481120 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.280374793969493,
"density_atomic": 0.06097854404547621,
"volume": 295.18579496709646,
"volume_molar": 9.87583559802419,
"formula_full": "K6 Li2 Ir2 O8",
"formula_reduced": "K3LiIrO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4311098999999998,
"spacegroup": 15
},
{
"id": "jvasp-51669",
"created_at": "2022-09-04T14:38:34.187785Z",
"updated_at": "2022-09-04T14:38:34.187814Z",
"structure_string": "K2 P2 H4 O4\n1.0\n3.304453 3.580664 -1.653750\n-3.304453 3.580664 1.653750\n-0.131228 0.000000 7.096189\nK P H O\n2 2 4 4\ndirect\n0.358049 0.358050 0.750000 K\n0.641949 0.641950 0.250000 K\n0.827860 0.827860 0.750000 P\n0.172139 0.172139 0.250000 P\n0.822607 0.083597 0.586938 H\n0.083596 0.822608 0.913062 H\n0.177392 0.916402 0.413062 H\n0.916402 0.177392 0.086938 H\n0.844062 0.591144 0.670228 O\n0.591143 0.844063 0.829772 O\n0.155936 0.408855 0.329772 O\n0.408855 0.155936 0.170228 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 2.0777546130961926,
"density_atomic": 0.07212751888686462,
"volume": 166.372005930532,
"volume_molar": 8.349296985310154,
"formula_full": "K2 P2 H4 O4",
"formula_reduced": "KP(HO)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.985868416666667,
"spacegroup": 15
},
{
"id": "jvasp-57276",
"created_at": "2022-09-04T14:38:34.329495Z",
"updated_at": "2022-09-04T14:38:34.329520Z",
"structure_string": "Si4 O8\n1.0\n4.820529 -0.003402 1.560058\n1.598101 6.420980 1.997864\n0.005035 -0.291411 6.905753\nSi O\n4 8\ndirect\n0.350897 0.949218 0.742519 Si\n0.649102 0.050783 0.257480 Si\n0.850897 0.742520 0.949217 Si\n0.149102 0.257480 0.050782 Si\n0.926161 0.137893 0.227222 O\n0.750000 0.838988 0.161012 O\n0.249999 0.161013 0.838987 O\n-0.000000 0.500000 -0.000000 O\n0.573837 0.772778 0.862107 O\n0.073837 0.862107 0.772777 O\n0.500000 0.000000 0.500000 O\n0.426161 0.227222 0.137893 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8491979352924943,
"density_atomic": 0.055602529762090167,
"volume": 215.81751857955223,
"volume_molar": 10.830695627999823,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4015085333333337,
"spacegroup": 15
},
{
"id": "jvasp-46711",
"created_at": "2022-09-04T14:38:34.297124Z",
"updated_at": "2022-09-04T14:38:34.297138Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n-4.578554 0.000000 0.000000\n-2.289277 4.369061 -0.127696\n0.000000 -1.773871 -13.197176\nLi Mn P O\n2 2 4 16\ndirect\n0.943849 0.000000 0.750000 Li\n0.056150 0.000000 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.685204 0.677262 0.115180 P\n0.637534 0.677262 0.615181 P\n0.362465 0.322738 0.384820 P\n0.314796 0.322738 0.884820 P\n0.220578 0.215804 0.470935 O\n0.038360 0.656239 0.919883 O\n0.305402 0.656239 0.419883 O\n0.563618 0.215804 0.970935 O\n0.478744 0.306627 0.785351 O\n0.746959 0.118063 0.380322 O\n0.253040 0.881937 0.619678 O\n0.961639 0.343761 0.080118 O\n0.436382 0.784196 0.029066 O\n0.694598 0.343761 0.580118 O\n0.214628 0.306627 0.285350 O\n0.779422 0.784196 0.529066 O\n0.785372 0.693373 0.714650 O\n0.865023 0.881937 0.119678 O\n0.521256 0.693373 0.214650 O\n0.134977 0.118064 0.880322 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.1555285159058015,
"density_atomic": 0.09055469815977193,
"volume": 265.0331842270087,
"volume_molar": 6.6502797561919085,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8998380201149425,
"spacegroup": 15
}
]
}