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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3390",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3388",
"results": [
{
"id": "jvasp-33801",
"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Sb",
"H",
"Pt",
"O",
"F"
],
"chemical_system": "F-H-O-Pt-Sb",
"density": 4.0528653056981225,
"density_atomic": 0.0892155405771816,
"volume": 302.6378568725022,
"volume_molar": 6.750102864410895,
"formula_full": "Sb2 H8 Pt1 O4 F12",
"formula_reduced": "Sb2H8Pt(OF3)4",
"formula_anonymous": "AB2C4D8E12",
"energy_above_hull": 1.5654163329629631,
"spacegroup": 2
},
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2067677666666663,
"spacegroup": 14
},
{
"id": "jvasp-87203",
"created_at": "2022-09-04T14:36:08.256363Z",
"updated_at": "2022-09-04T14:36:08.256397Z",
"structure_string": "Sb16 Mo8 Se8\n1.0\n6.606681 0.000000 0.000000\n0.000000 6.598154 -0.493385\n0.000000 0.007967 18.654417\nSb Mo Se\n16 8 8\ndirect\n0.624724 0.923830 0.924830 Sb\n0.375276 0.076170 0.075170 Sb\n0.875276 0.923830 0.424830 Sb\n0.124913 0.923957 0.925103 Sb\n0.624913 0.076043 0.574897 Sb\n0.875087 0.076043 0.074897 Sb\n0.375087 0.923957 0.425103 Sb\n0.649801 0.795724 0.772393 Sb\n0.149801 0.204276 0.727607 Sb\n0.350199 0.204276 0.227607 Sb\n0.850199 0.795723 0.272393 Sb\n0.099731 0.795980 0.772615 Sb\n0.599731 0.204021 0.727385 Sb\n0.900269 0.204020 0.227385 Sb\n0.400269 0.795979 0.272615 Sb\n0.124724 0.076170 0.575170 Sb\n0.874673 0.672459 0.005750 Mo\n0.125326 0.327541 0.994251 Mo\n0.625326 0.672459 0.505750 Mo\n0.624494 0.327796 0.994357 Mo\n0.124494 0.672204 0.505643 Mo\n0.375505 0.672203 0.005643 Mo\n0.875505 0.327796 0.494357 Mo\n0.374674 0.327541 0.494251 Mo\n0.874824 0.410574 0.899452 Se\n0.374824 0.589426 0.600548 Se\n0.125176 0.589426 0.100548 Se\n0.625176 0.410574 0.399452 Se\n0.624987 0.588737 0.100682 Se\n0.124987 0.411262 0.399318 Se\n0.375013 0.411262 0.899318 Se\n0.875012 0.588738 0.600682 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"Se"
],
"chemical_system": "Mo-Sb-Se",
"density": 6.835183593410832,
"density_atomic": 0.03935035393545958,
"volume": 813.207425084022,
"volume_molar": 15.303904940416048,
"formula_full": "Sb16 Mo8 Se8",
"formula_reduced": "Sb2MoSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.580410366666667,
"spacegroup": 14
},
{
"id": "jvasp-29490",
"created_at": "2022-09-04T14:38:18.807941Z",
"updated_at": "2022-09-04T14:38:18.807963Z",
"structure_string": "Sb8 O12\n1.0\n3.356036 -0.000000 0.000000\n0.000000 7.739900 0.000000\n0.000000 0.000000 13.271029\nSb O\n8 12\ndirect\n0.749948 0.331186 0.615833 Sb\n0.250053 0.668814 0.384167 Sb\n0.250053 0.168814 0.115833 Sb\n0.750054 0.331186 0.884167 Sb\n0.750054 0.831186 0.615833 Sb\n0.749948 0.831186 0.884167 Sb\n0.249948 0.168814 0.384167 Sb\n0.249948 0.668814 0.115833 Sb\n0.750001 0.209094 0.750000 O\n0.749963 0.310141 0.426830 O\n0.750039 0.810141 0.426830 O\n0.750001 0.709094 0.750000 O\n0.250000 0.790906 0.250000 O\n0.749963 0.810141 0.073170 O\n0.250000 0.290906 0.250000 O\n0.750039 0.310141 0.073170 O\n0.250038 0.689859 0.573170 O\n0.250038 0.189859 0.926831 O\n0.249963 0.689859 0.926831 O\n0.249963 0.189859 0.573170 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.617048889249001,
"density_atomic": 0.058018091286494135,
"volume": 344.7200615621725,
"volume_molar": 10.379763667616341,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.97165654,
"spacegroup": 59
},
{
"id": "jvasp-18991",
"created_at": "2022-09-04T14:36:35.827512Z",
"updated_at": "2022-09-04T14:36:35.827553Z",
"structure_string": "Sb8 O12\n1.0\n4.946477 -0.000000 0.000000\n-0.000000 5.460648 0.000000\n0.000000 0.000000 12.487174\nSb O\n8 12\ndirect\n0.961640 0.177439 0.872764 Sb\n0.461640 0.322561 0.127236 Sb\n0.538361 0.177439 0.627236 Sb\n0.038360 0.322561 0.372764 Sb\n0.038360 0.822561 0.127236 Sb\n0.538361 0.677439 0.872764 Sb\n0.461640 0.822561 0.372764 Sb\n0.961640 0.677439 0.627236 Sb\n0.644558 0.348824 0.942131 O\n0.144558 0.151177 0.057868 O\n0.144558 0.651177 0.442132 O\n0.644558 0.848824 0.557868 O\n0.355443 0.651177 0.057868 O\n0.250000 0.489782 0.250000 O\n0.750000 0.510218 0.750000 O\n0.250000 0.989783 0.250000 O\n0.355443 0.151177 0.442132 O\n0.750000 0.010218 0.750000 O\n0.855443 0.848824 0.942131 O\n0.855443 0.348824 0.557868 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.740773639370702,
"density_atomic": 0.05929603527247203,
"volume": 337.290679015852,
"volume_molar": 10.156059730347193,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"id": "jvasp-18987",
"created_at": "2022-09-04T14:37:02.020010Z",
"updated_at": "2022-09-04T14:37:02.020036Z",
"structure_string": "Sb8 O12\n1.0\n6.843485 -0.000000 3.951088\n2.281162 6.452099 3.951088\n-0.000000 -0.000000 7.902175\nSb O\n8 12\ndirect\n0.274880 0.741707 0.741708 Sb\n0.258293 0.725119 0.258294 Sb\n0.258293 0.258293 0.725120 Sb\n0.741706 0.274881 0.741708 Sb\n0.741706 0.741707 0.274882 Sb\n0.741706 0.741707 0.741708 Sb\n0.725119 0.258293 0.258294 Sb\n0.258293 0.258293 0.258294 Sb\n0.185427 0.564573 0.564574 O\n0.564573 0.564573 0.185428 O\n0.814572 0.435427 0.435428 O\n0.185427 0.564573 0.185427 O\n0.564573 0.185427 0.564574 O\n0.814572 0.435427 0.814574 O\n0.814572 0.814573 0.435428 O\n0.435427 0.435427 0.814574 O\n0.435426 0.814573 0.435428 O\n0.564573 0.185427 0.185427 O\n0.435426 0.814573 0.814574 O\n0.185427 0.185427 0.564574 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.549447882283897,
"density_atomic": 0.05731984538005968,
"volume": 348.9192943105454,
"volume_molar": 10.506205521089859,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93835654,
"spacegroup": 227
},
{
"id": "jvasp-14096",
"created_at": "2022-09-04T14:37:03.655427Z",
"updated_at": "2022-09-04T14:37:03.655447Z",
"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.740741155658558,
"density_atomic": 0.0592956997505612,
"volume": 337.2925875591967,
"volume_molar": 10.156117197930538,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
"nsites": 14,
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"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.419007809916521,
"density_atomic": 0.07061087817794418,
"volume": 198.26973352064897,
"volume_molar": 8.528630312207417,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.3073113857142857,
"spacegroup": 63
},
{
"id": "jvasp-9099",
"created_at": "2022-09-04T14:37:27.463411Z",
"updated_at": "2022-09-04T14:37:27.463433Z",
"structure_string": "Sb4 O10\n1.0\n4.546345 -0.000000 -1.719306\n-0.464529 5.342729 -1.228350\n-0.002452 0.013881 6.864097\nSb O\n4 10\ndirect\n0.621778 0.220625 0.724725 Sb\n0.897052 0.279375 0.275274 Sb\n0.378221 0.779375 0.275275 Sb\n0.102947 0.720625 0.724725 Sb\n0.575570 0.250000 -0.000001 O\n0.424429 0.750000 -0.000000 O\n0.189571 0.445889 0.202038 O\n0.987532 0.054111 0.797961 O\n0.782814 0.623871 0.405269 O\n0.377546 0.876129 0.594730 O\n0.217185 0.376129 0.594730 O\n0.622454 0.123871 0.405270 O\n0.012467 0.945889 0.202038 O\n0.810428 0.554111 0.797961 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "O-Sb",
"density": 6.4416208347966455,
"density_atomic": 0.08393575355288883,
"volume": 166.7942373470019,
"volume_molar": 7.174702680432104,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.294335671428572,
"spacegroup": 15
},
{
"id": "jvasp-2193",
"created_at": "2022-09-04T14:36:10.903324Z",
"updated_at": "2022-09-04T14:36:10.903343Z",
"structure_string": "Sb4 Os2\n1.0\n3.273357 0.000000 0.000000\n0.000000 6.019872 0.000000\n0.000000 0.000000 6.782937\nSb Os\n4 2\ndirect\n0.500000 0.318155 0.858130 Sb\n0.500000 0.681845 0.141871 Sb\n0.000000 0.181845 0.358130 Sb\n0.000000 0.818155 0.641871 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"Os"
],
"chemical_system": "Os-Sb",
"density": 10.77755300714839,
"density_atomic": 0.044890334026401135,
"volume": 133.65906336253255,
"volume_molar": 13.415228223648834,
"formula_full": "Sb4 Os2",
"formula_reduced": "Sb2Os",
"formula_anonymous": "AB2",
"energy_above_hull": 2.720385733333334,
"spacegroup": 58
},
{
"id": "jvasp-51952",
"created_at": "2022-09-04T14:37:37.541600Z",
"updated_at": "2022-09-04T14:37:37.541622Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n6.561016 0.000005 3.788008\n2.187009 6.185817 3.788010\n-0.000012 -0.000006 7.576038\nSb Pb O\n4 4 14\ndirect\n0.000000 -0.000000 0.500001 Sb\n0.000001 -0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.499999 0.499999 0.500000 Pb\n1.000000 0.500001 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.901072 0.348929 0.348929 O\n0.875000 0.875000 0.875002 O\n0.901073 0.901074 0.348928 O\n0.348929 0.901072 0.901072 O\n0.651071 0.651070 0.098929 O\n0.125002 0.125002 0.124999 O\n0.098929 0.098927 0.651072 O\n0.098928 0.651072 0.651071 O\n0.098928 0.651072 0.098930 O\n0.901073 0.348928 0.901071 O\n0.348931 0.348931 0.901069 O\n0.651072 0.098928 0.651072 O\n0.348930 0.901072 0.348929 O\n0.651072 0.098929 0.098929 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.315944759972842,
"density_atomic": 0.07155038110098808,
"volume": 307.4756508836567,
"volume_molar": 8.416643863154542,
"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.1676962127272725,
"spacegroup": 227
},
{
"id": "jvasp-51383",
"created_at": "2022-09-04T14:37:00.144130Z",
"updated_at": "2022-09-04T14:37:00.144161Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n-5.283538 3.966098 3.790166\n5.283538 -3.966098 3.790166\n5.283538 3.966098 -3.790166\nSb Pb O\n4 4 14\ndirect\n0.240600 0.738804 0.001796 Sb\n0.737007 0.238803 0.998204 Sb\n0.240910 0.740910 0.500000 Sb\n0.240910 0.240910 0.000000 Sb\n0.219632 0.251741 0.467890 Pb\n0.783852 0.751742 0.532110 Pb\n0.731293 0.231293 0.500000 Pb\n0.731293 0.731293 0.000000 Pb\n0.368196 0.558839 0.042868 O\n0.515970 0.325328 0.957133 O\n0.368196 0.825329 0.309358 O\n0.515970 0.058838 0.690642 O\n0.019990 0.146291 0.694002 O\n0.452290 0.325990 0.305999 O\n0.108689 0.918275 0.948912 O\n0.452290 0.646292 0.626302 O\n0.969365 0.159778 0.051088 O\n0.895652 0.489453 0.906197 O\n0.969365 0.418275 0.309587 O\n0.108689 0.659778 0.690414 O\n0.019990 0.825990 0.373699 O\n0.583257 0.989454 0.093803 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb",
"density": 8.048516266458385,
"density_atomic": 0.06924942658763883,
"volume": 317.6921612796003,
"volume_molar": 8.696304152610796,
"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.129290758181818,
"spacegroup": 46
}
]
}