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=id&page=1110",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1108",
"results": [
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"Se",
"S"
],
"chemical_system": "S-Sb-Se",
"density": 5.165024298832726,
"density_atomic": 0.037927002148649934,
"volume": 527.3287860087811,
"volume_molar": 15.878240880723991,
"formula_full": "Sb8 Se6 S6",
"formula_reduced": "Sb4(SeS)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.92199645,
"spacegroup": 26
},
{
"id": "jvasp-119152",
"created_at": "2022-09-04T14:38:51.680417Z",
"updated_at": "2022-09-04T14:38:51.680433Z",
"structure_string": "Rb4 Ta2 F14\n1.0\n5.866817 -0.000000 0.000000\n0.000000 5.793084 0.000000\n-0.000000 -0.000000 10.546762\nRb Ta F\n4 2 14\ndirect\n-0.000000 0.500000 0.365096 Rb\n0.500000 0.000000 0.634904 Rb\n0.500000 0.500000 -0.006301 Rb\n0.000000 0.000000 0.006301 Rb\n-0.000000 0.500000 0.756796 Ta\n0.500000 0.000000 0.243204 Ta\n0.794182 0.500000 0.607975 F\n0.205819 0.500000 0.607975 F\n0.500000 0.000000 0.049915 F\n-0.000000 0.500000 0.950085 F\n0.781208 0.253608 0.798808 F\n0.281208 0.753607 0.201191 F\n0.781208 0.746392 0.798808 F\n0.218793 0.746392 0.798808 F\n0.294181 0.000000 0.392025 F\n0.718793 0.753607 0.201191 F\n0.281208 0.246392 0.201191 F\n0.218793 0.253608 0.798808 F\n0.718793 0.246392 0.201191 F\n0.705819 0.000000 0.392025 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"F"
],
"chemical_system": "F-Rb-Ta",
"density": 4.492364184809882,
"density_atomic": 0.05579541116609043,
"volume": 358.4524171793355,
"volume_molar": 10.793254560081001,
"formula_full": "Rb4 Ta2 F14",
"formula_reduced": "Rb2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1205831177500006,
"spacegroup": 59
},
{
"id": "jvasp-119153",
"created_at": "2022-09-04T14:38:51.962058Z",
"updated_at": "2022-09-04T14:38:51.962077Z",
"structure_string": "Nd3 Ho1 Zr4 O14\n1.0\n6.539802 0.001553 3.770830\n2.179243 6.166029 3.770830\n0.002195 0.001553 7.549051\nNd Ho Zr O\n3 1 4 14\ndirect\n-0.000001 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.499999 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.086365 0.086365 0.663667 O\n0.663880 0.663880 0.089086 O\n0.663666 0.086365 0.086365 O\n0.089085 0.663880 0.663881 O\n0.336119 0.910914 0.336120 O\n0.913634 0.336333 0.913636 O\n0.910914 0.336119 0.336120 O\n0.336119 0.336119 0.910915 O\n0.336333 0.913635 0.913635 O\n0.086365 0.663666 0.086365 O\n0.620240 0.620241 0.620241 O\n0.379759 0.379759 0.379759 O\n0.913634 0.913635 0.336334 O\n0.663880 0.089085 0.663881 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Nd",
"Ho",
"Zr",
"O"
],
"chemical_system": "Ho-Nd-O-Zr",
"density": 6.474646941976908,
"density_atomic": 0.07229459959021044,
"volume": 304.31042048373234,
"volume_molar": 8.330000849490107,
"formula_full": "Nd3 Ho1 Zr4 O14",
"formula_reduced": "Nd3HoZr4O14",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 3.140198503030303,
"spacegroup": 166
},
{
"id": "jvasp-119154",
"created_at": "2022-09-04T14:38:51.975195Z",
"updated_at": "2022-09-04T14:38:51.975220Z",
"structure_string": "Nd2 Ti1 Fe16\n1.0\n6.330378 0.004794 0.791970\n0.699654 6.291597 0.791970\n0.005353 0.004794 6.379723\nNd Ti Fe\n2 1 16\ndirect\n0.341259 0.341259 0.341259 Nd\n0.653354 0.653354 0.653354 Nd\n0.910775 0.910775 0.910775 Ti\n-0.000173 0.497269 -0.000173 Fe\n-0.000173 -0.000173 0.497268 Fe\n0.294429 0.705776 0.000173 Fe\n0.000172 0.294429 0.705776 Fe\n0.705776 0.000172 0.294429 Fe\n0.000172 0.705776 0.294429 Fe\n0.294429 0.000172 0.705776 Fe\n0.705776 0.294429 0.000173 Fe\n0.337551 0.842519 0.337551 Fe\n0.337551 0.337551 0.842519 Fe\n0.842519 0.337551 0.337551 Fe\n0.660784 0.159124 0.660784 Fe\n0.660784 0.660784 0.159124 Fe\n0.159124 0.660784 0.660784 Fe\n0.497269 -0.000173 -0.000173 Fe\n0.098616 0.098616 0.098616 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Ti",
"Fe"
],
"chemical_system": "Fe-Nd-Ti",
"density": 8.039609967986678,
"density_atomic": 0.07479626685152177,
"volume": 254.02337308781657,
"volume_molar": 8.051392152972774,
"formula_full": "Nd2 Ti1 Fe16",
"formula_reduced": "Nd2TiFe16",
"formula_anonymous": "AB2C16",
"energy_above_hull": 4.115688912280701,
"spacegroup": 160
},
{
"id": "jvasp-119155",
"created_at": "2022-09-04T14:38:35.732918Z",
"updated_at": "2022-09-04T14:38:35.732936Z",
"structure_string": "Nd10 Si3 Ge3\n1.0\n8.796014 0.000000 0.000000\n-4.398007 7.617572 0.000000\n-0.000000 -0.000000 6.674343\nNd Si Ge\n10 3 3\ndirect\n0.666666 0.333333 0.752700 Nd\n0.333333 0.666667 0.752700 Nd\n0.333333 0.666667 0.247300 Nd\n0.666666 0.333333 0.247300 Nd\n0.752647 0.752647 0.500000 Nd\n0.247352 -0.000000 0.500000 Nd\n-0.000000 0.247352 0.500000 Nd\n0.246035 0.246035 -0.000000 Nd\n0.753965 -0.000000 -0.000000 Nd\n-0.000000 0.753965 -0.000000 Nd\n0.607731 0.607732 -0.000000 Si\n0.392268 -0.000000 -0.000000 Si\n-0.000000 0.392268 -0.000000 Si\n0.391918 0.391918 0.500000 Ge\n0.608081 -0.000000 0.500000 Ge\n-0.000000 0.608082 0.500000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Ge"
],
"chemical_system": "Ge-Nd-Si",
"density": 6.477882898723535,
"density_atomic": 0.03577741686987562,
"volume": 447.20948016434096,
"volume_molar": 16.832240242225556,
"formula_full": "Nd10 Si3 Ge3",
"formula_reduced": "Nd10(SiGe)3",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 2.156504290625,
"spacegroup": 189
},
{
"id": "jvasp-119156",
"created_at": "2022-09-04T14:38:48.825093Z",
"updated_at": "2022-09-04T14:38:48.825114Z",
"structure_string": "Nb6 Tl1 S8\n1.0\n9.760150 -0.000000 0.000000\n-4.880075 8.452538 0.000000\n-0.000000 -0.000000 3.396292\nNb Tl S\n6 1 8\ndirect\n0.040041 0.222603 -0.000000 Nb\n0.182563 0.959960 -0.000000 Nb\n0.777398 0.817438 -0.000000 Nb\n0.289459 0.444053 0.500000 Nb\n0.154595 0.710542 0.500000 Nb\n0.555947 0.845406 0.500000 Nb\n0.666667 0.333333 -0.000000 Tl\n0.319160 0.274809 -0.000000 S\n0.955650 0.680841 -0.000000 S\n0.725191 0.044351 -0.000000 S\n0.009433 0.392304 0.500000 S\n0.382872 0.990568 0.500000 S\n0.607697 0.617129 0.500000 S\n0.333334 0.666667 -0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Nb",
"Tl",
"S"
],
"chemical_system": "Nb-S-Tl",
"density": 6.035231424958649,
"density_atomic": 0.05353559240825131,
"volume": 280.1874290586553,
"volume_molar": 11.248854246491579,
"formula_full": "Nb6 Tl1 S8",
"formula_reduced": "Nb6TlS8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.855893933333333,
"spacegroup": 174
},
{
"id": "jvasp-119157",
"created_at": "2022-09-04T14:38:35.829275Z",
"updated_at": "2022-09-04T14:38:35.829306Z",
"structure_string": "Nd4 Cu2 Te8\n1.0\n8.379052 -0.000000 0.000000\n0.000000 6.428038 0.015204\n-0.000000 0.000597 7.704012\nNd Cu Te\n4 2 8\ndirect\n0.055335 0.498487 0.231906 Nd\n0.940266 0.004405 0.759402 Nd\n0.440266 0.995595 0.240598 Nd\n0.555335 0.501514 0.768093 Nd\n0.209485 0.695748 0.585976 Cu\n0.709485 0.304253 0.414023 Cu\n0.413180 0.511056 0.381362 Te\n0.586984 0.014036 0.619898 Te\n0.086984 0.985965 0.380101 Te\n0.913179 0.488945 0.618637 Te\n0.247621 0.748020 0.919476 Te\n0.747621 0.251980 0.080523 Te\n0.749129 0.753302 0.071966 Te\n0.249129 0.246698 0.928033 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Te"
],
"chemical_system": "Cu-Nd-Te",
"density": 6.902600781114749,
"density_atomic": 0.033739437948386415,
"volume": 414.9446716159523,
"volume_molar": 17.848965857737436,
"formula_full": "Nd4 Cu2 Te8",
"formula_reduced": "Nd2CuTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9012477880952384,
"spacegroup": 4
},
{
"id": "jvasp-119158",
"created_at": "2022-09-04T14:38:35.867335Z",
"updated_at": "2022-09-04T14:38:35.867353Z",
"structure_string": "Nd2 Cu5 Ag5\n1.0\n4.429773 -0.000000 0.000000\n0.000000 5.254873 0.000000\n-0.000000 -0.000000 9.402249\nNd Cu Ag\n2 5 5\ndirect\n-0.000000 0.500000 -0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Cu\n0.500000 0.750364 0.261364 Cu\n0.500000 0.249635 0.738636 Cu\n0.500000 0.249635 0.261364 Cu\n0.500000 0.750364 0.738636 Cu\n-0.000000 0.500000 0.332661 Ag\n0.000000 0.000000 0.822171 Ag\n0.000000 0.000000 0.177829 Ag\n-0.000000 0.500000 0.667339 Ag\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Nd",
"density": 8.691397205649904,
"density_atomic": 0.05482842890118651,
"volume": 218.86456060279914,
"volume_molar": 10.98360992771339,
"formula_full": "Nd2 Cu5 Ag5",
"formula_reduced": "Nd2(CuAg)5",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 0.0301254875,
"spacegroup": 47
},
{
"id": "jvasp-119159",
"created_at": "2022-09-04T14:38:53.141967Z",
"updated_at": "2022-09-04T14:38:53.141997Z",
"structure_string": "Nb4 H3 S8\n1.0\n3.355898 -0.000000 0.000000\n-1.677949 2.906293 0.000000\n-0.000000 -0.000000 25.287344\nNb H S\n4 3 8\ndirect\n0.666667 0.333333 -0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666666 0.248404 Nb\n0.333333 0.666666 0.751596 Nb\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.248326 H\n0.000000 0.000000 0.751674 H\n0.666667 0.333333 0.313889 S\n0.666667 0.333333 0.817091 S\n0.333333 0.666666 0.937655 S\n0.333333 0.666666 0.434513 S\n0.333333 0.666666 0.062345 S\n0.333333 0.666666 0.565487 S\n0.666667 0.333333 0.182909 S\n0.666667 0.333333 0.686111 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Nb",
"H",
"S"
],
"chemical_system": "H-Nb-S",
"density": 4.249556687174255,
"density_atomic": 0.06081908671278259,
"volume": 246.63310172409066,
"volume_molar": 9.901728364385816,
"formula_full": "Nb4 H3 S8",
"formula_reduced": "Nb4H3S8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.651268506666667,
"spacegroup": 187
},
{
"id": "jvasp-119160",
"created_at": "2022-09-04T14:38:35.907152Z",
"updated_at": "2022-09-04T14:38:35.907162Z",
"structure_string": "Nb5 V3 S20\n1.0\n8.537149 -0.043933 4.116578\n5.938166 6.133762 4.116578\n-0.052097 -0.021918 10.138527\nNb V S\n5 3 20\ndirect\n0.330459 0.834455 0.862046 Nb\n0.834456 0.330459 0.862046 Nb\n0.166051 0.166051 0.140498 Nb\n0.666308 0.666308 0.141474 Nb\n0.801642 0.801642 0.592115 Nb\n0.304027 0.304027 0.592242 V\n0.694092 0.204089 0.403648 V\n0.204090 0.694092 0.403648 V\n0.979679 0.478210 0.253212 S\n0.310837 0.809767 0.137832 S\n0.809767 0.310837 0.137832 S\n0.959717 0.442069 0.587760 S\n0.686855 0.686854 0.869173 S\n0.442070 0.959717 0.587760 S\n0.478211 0.979679 0.253212 S\n0.189408 0.189408 0.863277 S\n0.521759 0.521759 0.747600 S\n0.616561 0.133099 0.662080 S\n0.883885 0.883884 0.326421 S\n0.378645 0.378645 0.336452 S\n0.046146 0.046146 0.411007 S\n0.133100 0.616561 0.662080 S\n0.036402 0.536494 0.022545 S\n0.536494 0.036402 0.022545 S\n0.462360 0.462360 0.978175 S\n0.961634 0.961633 0.980790 S\n0.019001 0.019000 0.749946 S\n0.546350 0.546350 0.412595 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"V",
"S"
],
"chemical_system": "Nb-S-V",
"density": 3.905853210391302,
"density_atomic": 0.052326015202566856,
"volume": 535.1066747889195,
"volume_molar": 11.508884704265771,
"formula_full": "Nb5 V3 S20",
"formula_reduced": "Nb5V3S20",
"formula_anonymous": "A3B5C20",
"energy_above_hull": 3.561199985714286,
"spacegroup": 8
},
{
"id": "jvasp-119161",
"created_at": "2022-09-04T14:38:35.955969Z",
"updated_at": "2022-09-04T14:38:35.955997Z",
"structure_string": "Na6 Cd7 S10\n1.0\n12.796324 0.013427 4.089141\n12.112430 4.127361 4.089141\n0.013402 0.002228 10.426370\nNa Cd S\n6 7 10\ndirect\n0.707389 0.707390 0.378045 Na\n0.300507 0.300508 0.583186 Na\n0.119687 0.119688 0.249302 Na\n0.892649 0.892650 0.759240 Na\n0.989534 0.989535 0.184374 Na\n0.002843 0.002843 0.818470 Na\n0.350398 0.350398 0.047293 Cd\n0.751019 0.751021 0.900616 Cd\n0.159851 0.159852 0.711904 Cd\n0.608654 0.608655 0.030792 Cd\n0.445629 0.445630 0.476361 Cd\n0.563071 0.563072 0.520892 Cd\n0.846085 0.846087 0.298199 Cd\n0.909766 0.909767 0.050507 S\n0.535751 0.535752 0.290759 S\n0.471675 0.471676 0.693953 S\n0.886959 0.886960 0.486807 S\n0.122572 0.122573 0.510092 S\n0.683676 0.683677 0.126940 S\n0.314476 0.314477 0.848729 S\n0.287866 0.287866 0.303330 S\n0.720098 0.720100 0.682136 S\n0.081029 0.081030 0.931075 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Cd",
"S"
],
"chemical_system": "Cd-Na-S",
"density": 3.768883703770804,
"density_atomic": 0.041914060217188534,
"volume": 548.7418751802988,
"volume_molar": 14.367829622791781,
"formula_full": "Na6 Cd7 S10",
"formula_reduced": "Na6Cd7S10",
"formula_anonymous": "A6B7C10",
"energy_above_hull": 0.0379696630434781,
"spacegroup": 8
},
{
"id": "jvasp-119162",
"created_at": "2022-09-04T14:38:52.034477Z",
"updated_at": "2022-09-04T14:38:52.034501Z",
"structure_string": "Na4 Sc4 Ti4 O16\n1.0\n3.052769 -0.000000 0.000000\n0.000000 9.322526 0.000000\n-0.000000 -0.000000 10.945995\nNa Sc Ti O\n4 4 4 16\ndirect\n0.500000 0.252258 0.900119 Na\n0.500000 0.752258 0.099881 Na\n-0.000000 0.740168 0.597686 Na\n-0.000000 0.240168 0.402314 Na\n0.500000 0.425154 0.142345 Sc\n0.500000 0.925155 0.857655 Sc\n0.500000 0.421661 0.648636 Sc\n0.500000 0.921661 0.351363 Sc\n-0.000000 0.081670 0.139890 Ti\n-0.000000 0.581670 0.860110 Ti\n-0.000000 0.061589 0.635125 Ti\n-0.000000 0.561590 0.364874 Ti\n0.500000 0.529627 0.967651 O\n0.500000 0.029626 0.032348 O\n-0.000000 0.073225 0.810596 O\n-0.000000 0.573225 0.189404 O\n0.500000 0.923801 0.664861 O\n0.500000 0.423801 0.335138 O\n-0.000000 0.394327 0.779041 O\n0.500000 0.698573 0.399058 O\n0.500000 0.625068 0.743510 O\n0.500000 0.125068 0.256490 O\n-0.000000 0.284953 0.088903 O\n-0.000000 0.784954 0.911096 O\n-0.000000 0.987929 0.466673 O\n0.500000 0.198573 0.600941 O\n-0.000000 0.894327 0.220958 O\n-0.000000 0.487928 0.533327 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Ti",
"O"
],
"chemical_system": "Na-O-Sc-Ti",
"density": 3.8339003236763296,
"density_atomic": 0.08988251993616515,
"volume": 311.51774582961946,
"volume_molar": 6.700013266513827,
"formula_full": "Na4 Sc4 Ti4 O16",
"formula_reduced": "NaScTiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0458595119047622,
"spacegroup": 26
}
]
}