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=107",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=105",
"results": [
{
"id": "jvasp-98366",
"created_at": "2022-09-04T14:35:58.658141Z",
"updated_at": "2022-09-04T14:35:58.658164Z",
"structure_string": "Bi2 P8 H2 O24\n1.0\n6.568346 -0.003359 -2.661646\n-3.521165 7.746035 -1.328927\n0.008659 -0.057539 8.873393\nBi P H O\n2 8 2 24\ndirect\n0.093802 0.259303 0.259153 Bi\n0.906199 0.740696 0.740846 Bi\n0.091826 0.393830 0.664194 P\n0.908175 0.606169 0.335805 P\n0.214639 0.198796 0.893907 P\n0.785362 0.801203 0.106092 P\n0.428463 0.872646 0.160043 P\n0.571538 0.127353 0.839956 P\n0.383684 0.711852 0.418336 P\n0.616317 0.288147 0.581663 P\n0.531363 0.151362 0.244083 H\n0.468638 0.848637 0.755916 H\n0.877017 0.421657 0.301327 O\n0.828828 0.262584 0.578206 O\n0.171173 0.737415 0.421793 O\n0.685700 0.458582 0.708524 O\n0.314301 0.541417 0.291475 O\n0.550649 0.759527 0.602681 O\n0.449352 0.240472 0.397318 O\n0.517937 0.133433 0.649977 O\n0.814972 0.197402 0.955204 O\n0.185029 0.802597 0.044795 O\n0.122984 0.578342 0.698672 O\n0.574514 0.065483 0.190222 O\n0.538809 0.764440 0.094318 O\n0.461192 0.235559 0.905681 O\n0.958208 0.963441 0.251006 O\n0.041793 0.036559 0.748993 O\n0.482064 0.866566 0.350022 O\n0.248179 0.213380 0.072851 O\n0.811779 0.633765 0.149835 O\n0.188222 0.366234 0.850164 O\n0.812921 0.676272 0.441383 O\n0.187080 0.323728 0.558616 O\n0.425487 0.934516 0.809777 O\n0.751822 0.786619 0.927148 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Bi",
"P",
"H",
"O"
],
"chemical_system": "Bi-H-O-P",
"density": 3.8767651165004127,
"density_atomic": 0.07991151981873792,
"volume": 450.4982520875369,
"volume_molar": 7.536010795014199,
"formula_full": "Bi2 P8 H2 O24",
"formula_reduced": "BiP4HO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.981893794444444,
"spacegroup": 2
},
{
"id": "jvasp-108181",
"created_at": "2022-09-04T14:35:58.920737Z",
"updated_at": "2022-09-04T14:35:58.920762Z",
"structure_string": "La2 Mg1 Ni1 O6\n1.0\n4.752262 0.005229 2.619677\n1.549632 4.492511 2.619677\n0.007326 0.005229 5.426476\nLa Mg Ni O\n2 1 1 6\ndirect\n0.750919 0.750919 0.750920 La\n0.249081 0.249081 0.249082 La\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Ni\n0.761899 0.296229 0.186008 O\n0.186007 0.761899 0.296230 O\n0.296230 0.186007 0.761899 O\n0.238101 0.703771 0.813994 O\n0.703770 0.813993 0.238102 O\n0.813993 0.238101 0.703772 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ni",
"O"
],
"chemical_system": "La-Mg-Ni-O",
"density": 6.557311988108898,
"density_atomic": 0.08644605869723485,
"volume": 115.67907375654444,
"volume_molar": 6.966356651483326,
"formula_full": "La2 Mg1 Ni1 O6",
"formula_reduced": "La2MgNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.924012245,
"spacegroup": 148
},
{
"id": "jvasp-87110",
"created_at": "2022-09-04T14:36:05.303875Z",
"updated_at": "2022-09-04T14:36:05.303887Z",
"structure_string": "Rb6 C2 O6 F2\n1.0\n6.535194 -0.078208 3.081263\n1.921888 6.246698 3.081263\n-0.107224 -0.078208 7.224365\nRb C O F\n6 2 6 2\ndirect\n0.250000 0.820612 0.679388 Rb\n0.820612 0.679388 0.250000 Rb\n0.679388 0.250000 0.820612 Rb\n0.750000 0.179388 0.320612 Rb\n0.179388 0.320612 0.750000 Rb\n0.320612 0.750000 0.179388 Rb\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.250000 0.417026 0.082973 O\n0.417026 0.082973 0.250000 O\n0.082974 0.250000 0.417026 O\n0.750000 0.582973 0.917027 O\n0.917026 0.750000 0.582974 O\n0.582974 0.917026 0.750000 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb",
"density": 3.7228841813228217,
"density_atomic": 0.05347410173129188,
"volume": 299.2102622013218,
"volume_molar": 11.261789473830422,
"formula_full": "Rb6 C2 O6 F2",
"formula_reduced": "Rb3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2360775978125,
"spacegroup": 167
},
{
"id": "jvasp-28637",
"created_at": "2022-09-04T14:35:55.058039Z",
"updated_at": "2022-09-04T14:35:55.058055Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.257831 -0.000008 -0.000026\n-1.628922 2.821363 -0.000010\n-0.000282 -0.000430 34.265747\nMo W Se S\n3 1 4 4\ndirect\n0.333318 0.666631 0.094746 Mo\n0.333326 0.666650 0.469453 Mo\n0.666682 0.333367 0.656619 Mo\n0.666672 0.333348 0.282093 W\n0.333352 0.666690 0.331954 Se\n0.333353 0.666688 0.706127 Se\n0.333328 0.666671 0.232234 Se\n0.333346 0.666712 0.607059 Se\n0.666623 0.333260 0.049674 S\n0.666648 0.333310 0.424332 S\n0.666679 0.333337 0.139876 S\n0.666670 0.333324 0.514578 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.828182315312142,
"density_atomic": 0.03810080395885446,
"volume": 314.9539839883419,
"volume_molar": 15.80581020417151,
"formula_full": "Mo3 W1 Se4 S4",
"formula_reduced": "Mo3W(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.906191763888889,
"spacegroup": 156
},
{
"id": "jvasp-91696",
"created_at": "2022-09-04T14:35:55.064971Z",
"updated_at": "2022-09-04T14:35:55.064996Z",
"structure_string": "Sm2 As2 Ru2 O2\n1.0\n4.085939 0.000000 0.000000\n-0.000000 4.085939 0.000000\n-0.000000 -0.000000 8.208843\nSm As Ru O\n2 2 2 2\ndirect\n0.750000 0.750000 0.635486 Sm\n0.250000 0.250000 0.364514 Sm\n0.750000 0.750000 0.163699 As\n0.250000 0.250000 0.836301 As\n0.750000 0.250000 0.000000 Ru\n0.250000 0.750000 0.000000 Ru\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sm",
"As",
"Ru",
"O"
],
"chemical_system": "As-O-Ru-Sm",
"density": 8.296310296126164,
"density_atomic": 0.058374648719208874,
"volume": 137.04579257480833,
"volume_molar": 10.316363168140732,
"formula_full": "Sm2 As2 Ru2 O2",
"formula_reduced": "SmAsRuO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.1996511562500003,
"spacegroup": 129
},
{
"id": "jvasp-97999",
"created_at": "2022-09-04T14:35:58.710572Z",
"updated_at": "2022-09-04T14:35:58.710589Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n5.130725 0.002956 1.367391\n1.528511 6.287573 0.768923\n0.000478 0.035224 6.516132\nLi V Si O\n2 2 4 12\ndirect\n0.749998 0.263330 0.736662 Li\n0.249999 0.736662 0.263330 Li\n0.750005 0.910091 0.089913 V\n0.250003 0.089913 0.910091 V\n0.770003 0.794483 0.609625 Si\n0.229991 0.205516 0.390376 Si\n0.270002 0.609625 0.794482 Si\n0.729991 0.390378 0.205517 Si\n0.063219 0.648876 0.637480 O\n0.563219 0.637480 0.648875 O\n0.936754 0.351105 0.362540 O\n0.171952 0.107681 0.632410 O\n0.845743 0.207662 0.027866 O\n0.154259 0.792338 0.972136 O\n0.328073 0.367588 0.892311 O\n0.828075 0.892312 0.367588 O\n0.671953 0.632411 0.107682 O\n0.345746 0.027866 0.207659 O\n0.436755 0.362540 0.351106 O\n0.654258 0.972135 0.792339 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.3201238369971287,
"density_atomic": 0.09518811051058626,
"volume": 210.11027420042882,
"volume_molar": 6.326568231785894,
"formula_full": "Li2 V2 Si4 O12",
"formula_reduced": "LiV(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8149222400000005,
"spacegroup": 15
},
{
"id": "jvasp-97634",
"created_at": "2022-09-04T14:35:58.668005Z",
"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ta",
"P",
"S",
"Cl"
],
"chemical_system": "Cl-P-S-Ta",
"density": 2.8459155344577307,
"density_atomic": 0.040016248853057976,
"volume": 749.6954577167332,
"volume_molar": 15.049238578342653,
"formula_full": "Ta2 P8 S10 Cl10",
"formula_reduced": "TaP4(SCl)5",
"formula_anonymous": "AB4C5D5",
"energy_above_hull": 2.3228121025,
"spacegroup": 2
},
{
"id": "jvasp-89240",
"created_at": "2022-09-04T14:36:04.814433Z",
"updated_at": "2022-09-04T14:36:04.814453Z",
"structure_string": "Li4 Sc4 Ge4 O16\n1.0\n5.005243 -0.000000 0.000000\n-0.000000 6.015771 0.000000\n0.000000 0.000000 10.716130\nLi Sc Ge O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.995838 0.750000 0.728967 Sc\n0.495838 0.250000 0.771033 Sc\n0.004162 0.250000 0.271033 Sc\n0.504162 0.750000 0.228967 Sc\n0.949863 0.750000 0.411241 Ge\n0.449863 0.250000 0.088759 Ge\n0.050137 0.250000 0.588759 Ge\n0.550136 0.750000 0.911241 Ge\n0.783604 0.972010 0.327423 O\n0.283605 0.027990 0.172577 O\n0.783604 0.527990 0.327423 O\n0.283605 0.472010 0.172577 O\n0.216395 0.027990 0.672577 O\n0.716395 0.972010 0.827423 O\n0.704677 0.750000 0.059696 O\n0.700790 0.250000 0.594907 O\n0.295322 0.250000 0.940304 O\n0.795322 0.750000 0.559696 O\n0.299210 0.750000 0.405093 O\n0.799209 0.250000 0.094907 O\n0.716395 0.527990 0.827423 O\n0.200790 0.750000 0.905093 O\n0.204678 0.250000 0.440304 O\n0.216395 0.472010 0.672577 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Sc",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Sc",
"density": 3.8810167200127528,
"density_atomic": 0.08677679284276094,
"volume": 322.6669145371141,
"volume_molar": 6.939805635490685,
"formula_full": "Li4 Sc4 Ge4 O16",
"formula_reduced": "LiScGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8601964571428569,
"spacegroup": 62
},
{
"id": "jvasp-42631",
"created_at": "2022-09-04T14:36:03.990876Z",
"updated_at": "2022-09-04T14:36:03.990898Z",
"structure_string": "Li4 Fe2 P4 O14\n1.0\n0.000000 -0.000000 7.095755\n6.528023 -3.150699 3.547877\n6.528023 3.150699 -3.547877\nLi Fe P O\n4 2 4 14\ndirect\n0.000000 0.225495 0.225495 Li\n0.500000 0.274505 0.274505 Li\n-0.000000 0.774505 0.774505 Li\n0.500000 0.725495 0.725495 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.564023 0.639740 0.139740 P\n0.435978 0.139740 0.639740 P\n0.564023 0.860260 0.360260 P\n0.435978 0.360260 0.860260 P\n0.711662 0.942939 0.442939 O\n0.288339 0.442939 0.942939 O\n0.637858 0.661200 0.562216 O\n0.362142 0.562216 0.661200 O\n0.329912 0.250000 0.750000 O\n0.670089 0.750000 0.250000 O\n0.763158 0.161200 0.062216 O\n0.637858 0.437784 0.338799 O\n0.711662 0.557061 0.057061 O\n0.288339 0.057061 0.557061 O\n0.236842 0.838799 0.937783 O\n0.236842 0.062216 0.161201 O\n0.362142 0.338799 0.437784 O\n0.763158 0.937783 0.838799 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.7724551885301603,
"density_atomic": 0.08222313720184055,
"volume": 291.88864371697514,
"volume_molar": 7.324143744621308,
"formula_full": "Li4 Fe2 P4 O14",
"formula_reduced": "Li2FeP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.6308875833333336,
"spacegroup": 74
},
{
"id": "jvasp-90472",
"created_at": "2022-09-04T14:35:58.613806Z",
"updated_at": "2022-09-04T14:35:58.613834Z",
"structure_string": "Ba1 Nd2 Ni1 O5\n1.0\n3.669151 0.000005 -1.073507\n-0.759230 5.315592 -2.595107\n0.021637 0.017209 6.881394\nBa Nd Ni O\n1 2 1 5\ndirect\n0.500001 0.500000 0.000001 Ba\n0.298569 0.798566 0.597135 Nd\n0.701434 0.201433 0.402864 Nd\n0.000000 0.000000 0.000001 Ni\n0.500000 0.000001 0.000001 O\n0.144443 0.901821 0.288879 O\n0.855558 0.098179 0.711120 O\n0.855557 0.612940 0.711117 O\n0.144444 0.387061 0.288883 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ni",
"O"
],
"chemical_system": "Ba-Nd-Ni-O",
"density": 6.968612841093841,
"density_atomic": 0.06690748809650755,
"volume": 134.5140918609644,
"volume_molar": 9.000697726558867,
"formula_full": "Ba1 Nd2 Ni1 O5",
"formula_reduced": "BaNd2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8078020966666668,
"spacegroup": 71
},
{
"id": "jvasp-50352",
"created_at": "2022-09-04T14:35:54.739386Z",
"updated_at": "2022-09-04T14:35:54.739412Z",
"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Sn",
"B",
"O"
],
"chemical_system": "B-Li-O-Sn",
"density": 3.1309471750489526,
"density_atomic": 0.0928141286489901,
"volume": 280.129764492304,
"volume_molar": 6.488387972455017,
"formula_full": "Li8 Sn2 B4 O12",
"formula_reduced": "Li4Sn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.3418744512820515,
"spacegroup": 58
},
{
"id": "jvasp-85938",
"created_at": "2022-09-04T14:35:58.625296Z",
"updated_at": "2022-09-04T14:35:58.625313Z",
"structure_string": "V2 S4 N6 Cl4\n1.0\n5.600634 0.021511 -0.902827\n-1.016200 6.780776 -0.656254\n0.069734 0.004218 7.714292\nV S N Cl\n2 4 6 4\ndirect\n0.763901 0.848326 0.021009 V\n0.236098 0.151675 0.978990 V\n0.742672 0.637171 0.357561 S\n0.812771 0.119155 0.664893 S\n0.257327 0.362829 0.642439 S\n0.187227 0.880846 0.335107 S\n0.986554 0.257095 0.571604 N\n0.068378 0.925629 0.145765 N\n0.013444 0.742906 0.428396 N\n0.658386 0.696671 0.167837 N\n0.341613 0.303330 0.832163 N\n0.931621 0.074372 0.854235 N\n0.377735 0.868811 0.827677 Cl\n0.183591 0.383796 0.190592 Cl\n0.622263 0.131190 0.172323 Cl\n0.816407 0.616204 0.809408 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"V",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-V",
"density": 2.5792151252425883,
"density_atomic": 0.05450021066853182,
"volume": 293.5768468366367,
"volume_molar": 11.04975684704492,
"formula_full": "V2 S4 N6 Cl4",
"formula_reduced": "VS2N3Cl2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 3.429349010625,
"spacegroup": 2
}
]
}