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=-volume&page=420",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=418",
"results": [
{
"id": "jvasp-28760",
"created_at": "2022-09-04T14:38:12.797590Z",
"updated_at": "2022-09-04T14:38:12.797601Z",
"structure_string": "Te2 Mo2 W2 S6\n1.0\n3.280338 -0.000000 -0.000000\n-1.640170 2.840941 0.000167\n-0.000000 0.002182 39.405945\nTe Mo W S\n2 2 2 6\ndirect\n0.666751 0.333501 0.419839 Te\n0.666484 0.332966 0.518439 Te\n0.333211 0.666420 0.093523 Mo\n0.666759 0.333517 0.280500 Mo\n0.333275 0.666550 0.469123 W\n0.666768 0.333536 0.659827 W\n0.333352 0.666706 0.319507 S\n0.333338 0.666679 0.698880 S\n0.666547 0.333093 0.054556 S\n0.666531 0.333062 0.132505 S\n0.333503 0.667007 0.241471 S\n0.333480 0.666961 0.620578 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.554080463839025,
"density_atomic": 0.032676737639972954,
"volume": 367.2337224178886,
"volume_molar": 18.429443068494106,
"formula_full": "Te2 Mo2 W2 S6",
"formula_reduced": "TeMoWS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.698693944444444,
"spacegroup": 156
},
{
"id": "jvasp-116742",
"created_at": "2022-09-04T14:38:45.349536Z",
"updated_at": "2022-09-04T14:38:45.349557Z",
"structure_string": "Ba6 Sc4 N8\n1.0\n7.619415 0.110699 -0.370405\n-6.276085 7.390182 -0.000000\n-0.007006 -0.005949 6.442785\nBa Sc N\n6 4 8\ndirect\n0.229405 0.962906 0.075724 Ba\n0.770594 0.733500 0.424276 Ba\n0.770594 0.037094 0.924276 Ba\n0.229406 0.266500 0.575724 Ba\n-0.000001 0.596370 0.750001 Ba\n-0.000000 0.403630 0.250000 Ba\n0.563584 0.394968 0.079384 Sc\n0.436415 0.831383 0.420616 Sc\n0.563584 0.168616 0.579384 Sc\n0.436415 0.605032 0.920616 Sc\n0.364118 0.748002 0.100285 N\n0.245080 0.913597 0.504853 N\n0.754919 0.668517 -0.004854 N\n0.754920 0.086403 0.495147 N\n0.245080 0.331483 0.004853 N\n0.635882 0.251998 0.899715 N\n0.364117 0.616117 0.600285 N\n0.635882 0.383883 0.399715 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"N"
],
"chemical_system": "Ba-N-Sc",
"density": 5.045610127805305,
"density_atomic": 0.04901572879286839,
"volume": 367.2290597996563,
"volume_molar": 12.286139384866596,
"formula_full": "Ba6 Sc4 N8",
"formula_reduced": "Ba3Sc2N4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.169846823333333,
"spacegroup": 15
},
{
"id": "jvasp-116497",
"created_at": "2022-09-04T14:38:50.920367Z",
"updated_at": "2022-09-04T14:38:50.920390Z",
"structure_string": "Tl6 Si2 F14\n1.0\n7.836183 0.004621 0.000000\n-3.922529 6.783771 0.000000\n-0.000000 -0.000000 6.905707\nTl Si F\n6 2 14\ndirect\n0.163772 0.836228 0.770154 Tl\n0.672669 0.836246 0.770205 Tl\n0.836246 0.672670 0.270205 Tl\n0.163753 0.327330 0.770205 Tl\n0.327330 0.163753 0.270205 Tl\n0.836228 0.163772 0.270154 Tl\n0.333294 0.666706 0.235803 Si\n0.666705 0.333294 0.735804 Si\n0.562964 0.125960 0.591994 F\n0.770565 0.229434 0.877887 F\n0.562976 0.437024 0.592162 F\n0.459118 0.229430 0.878077 F\n0.874040 0.437036 0.591994 F\n0.770569 0.540881 0.878077 F\n0.540881 0.770569 0.378077 F\n0.229430 0.459118 0.378077 F\n0.000023 -0.000023 0.030119 F\n0.437036 0.874040 0.091993 F\n0.125959 0.562964 0.091993 F\n-0.000023 0.000023 0.530119 F\n0.437023 0.562976 0.092162 F\n0.229434 0.770566 0.377887 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Si",
"F"
],
"chemical_system": "F-Si-Tl",
"density": 7.001867555472533,
"density_atomic": 0.05990881436694622,
"volume": 367.22476037079053,
"volume_molar": 10.052178170500776,
"formula_full": "Tl6 Si2 F14",
"formula_reduced": "Tl3SiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-112729",
"created_at": "2022-09-04T14:38:43.671570Z",
"updated_at": "2022-09-04T14:38:43.671591Z",
"structure_string": "Ca10 Co4 N12\n1.0\n5.689586 0.000543 -1.049648\n-3.358270 5.189481 -0.000000\n-0.025403 -0.016439 12.441819\nCa Co N\n10 4 12\ndirect\n0.000000 0.368700 0.750000 Ca\n0.000000 0.631299 0.250000 Ca\n0.128077 0.803822 0.999356 Ca\n0.871923 0.675746 0.500644 Ca\n0.871923 0.196177 0.000644 Ca\n0.128077 0.324253 0.499356 Ca\n0.319240 0.051323 0.723861 Ca\n0.680761 0.732083 0.776139 Ca\n0.680761 0.948676 0.276139 Ca\n0.319240 0.267916 0.223861 Ca\n0.542852 0.659692 0.064659 Co\n0.457149 0.116841 0.435341 Co\n0.542852 0.883157 0.564659 Co\n0.457149 0.340307 0.935341 Co\n0.105110 0.014452 0.371263 N\n0.286644 0.676023 0.644392 N\n0.713357 0.389380 0.855608 N\n0.713357 0.323976 0.355608 N\n0.286644 0.610619 0.144392 N\n0.569142 0.233474 0.575204 N\n0.430859 0.664332 0.924796 N\n0.430859 0.766525 0.424796 N\n0.569142 0.335667 0.075204 N\n0.894891 0.985547 0.628737 N\n0.105110 0.090657 0.871263 N\n0.894891 0.909342 0.128737 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Co",
"N"
],
"chemical_system": "Ca-Co-N",
"density": 3.6386668347749467,
"density_atomic": 0.07080928283515944,
"volume": 367.1834957081366,
"volume_molar": 8.504733445781747,
"formula_full": "Ca10 Co4 N12",
"formula_reduced": "Ca5(CoN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2793948769230763,
"spacegroup": 15
},
{
"id": "jvasp-101280",
"created_at": "2022-09-04T14:38:17.040334Z",
"updated_at": "2022-09-04T14:38:17.040344Z",
"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.334972935758361,
"density_atomic": 0.06537073376635746,
"volume": 367.1367692732158,
"volume_molar": 9.21228876139562,
"formula_full": "Pb4 Se4 O16",
"formula_reduced": "PbSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.918409697777778,
"spacegroup": 14
},
{
"id": "jvasp-105077",
"created_at": "2022-09-04T14:36:46.379768Z",
"updated_at": "2022-09-04T14:36:46.379790Z",
"structure_string": "Rb2 Na1 Nd1 Br6\n1.0\n6.960519 -0.000000 4.018658\n2.320173 6.562440 4.018658\n-0.000000 -0.000000 8.037315\nRb Na Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Nd\n0.748467 0.251533 0.251533 Br\n0.251533 0.251533 0.748468 Br\n0.251532 0.748467 0.748468 Br\n0.251532 0.748467 0.251533 Br\n0.748467 0.251533 0.748468 Br\n0.748467 0.748467 0.251533 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Nd",
"Br"
],
"chemical_system": "Br-Na-Nd-Rb",
"density": 3.6980045155943158,
"density_atomic": 0.02723842810538993,
"volume": 367.1283805845317,
"volume_molar": 22.10898784870901,
"formula_full": "Rb2 Na1 Nd1 Br6",
"formula_reduced": "Rb2NaNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-11347",
"created_at": "2022-09-04T14:37:19.638726Z",
"updated_at": "2022-09-04T14:37:19.638750Z",
"structure_string": "Ca2 Mn4 S10\n1.0\n0.000000 6.703719 -0.001073\n4.066428 0.000000 0.000000\n0.000000 -0.001897 -13.467080\nCa Mn S\n2 4 10\ndirect\n0.071335 0.500000 0.249993 Ca\n0.928656 0.000000 0.750004 Ca\n0.504454 0.000000 0.097964 Mn\n0.495553 0.500000 0.902041 Mn\n0.495551 0.500000 0.597959 Mn\n0.504455 0.000000 0.402038 Mn\n0.648930 0.500000 0.750000 S\n0.351073 0.000000 0.250002 S\n0.331596 0.500000 0.053413 S\n0.668403 0.000000 0.946587 S\n0.331599 0.500000 0.446587 S\n0.668402 0.000000 0.553411 S\n0.825961 0.000000 0.330009 S\n0.174037 0.500000 0.669989 S\n0.174035 0.500000 0.830014 S\n0.825955 0.000000 0.169986 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 2.806915014412037,
"density_atomic": 0.043583052467991316,
"volume": 367.11517651846145,
"volume_molar": 13.817620425790135,
"formula_full": "Ca2 Mn4 S10",
"formula_reduced": "CaMn2S5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.4407118628448274,
"spacegroup": 59
},
{
"id": "jvasp-29874",
"created_at": "2022-09-04T14:37:29.356756Z",
"updated_at": "2022-09-04T14:37:29.356781Z",
"structure_string": "Ag4 Sb4 S8\n1.0\n3.944818 0.000000 -0.000000\n-1.972408 8.112119 -0.045306\n0.000000 1.640942 11.462849\nAg Sb S\n4 4 8\ndirect\n0.713351 0.927021 0.868382 Ag\n0.795230 0.090882 0.619105 Ag\n0.295653 0.090882 0.119105 Ag\n0.213670 0.927021 0.368382 Ag\n0.071992 0.643482 0.111924 Sb\n0.437425 0.374418 0.375578 Sb\n0.571490 0.643482 0.611924 Sb\n0.936992 0.374418 0.875578 Sb\n0.564408 0.628933 0.828183 S\n0.186105 0.872328 0.601679 S\n0.322734 0.145572 0.885822 S\n0.822838 0.145572 0.385822 S\n0.944424 0.388964 0.659324 S\n0.444539 0.388964 0.159324 S\n0.064528 0.628934 0.328183 S\n0.686225 0.872328 0.101679 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 5.314937342810024,
"density_atomic": 0.04358319300709683,
"volume": 367.1139927126187,
"volume_molar": 13.817575869256276,
"formula_full": "Ag4 Sb4 S8",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.23362084,
"spacegroup": 12
},
{
"id": "jvasp-107417",
"created_at": "2022-09-04T14:36:57.608897Z",
"updated_at": "2022-09-04T14:36:57.608907Z",
"structure_string": "Rb2 Ce1 Ag1 Br6\n1.0\n6.959975 -0.000000 4.018343\n2.319992 6.561927 4.018343\n-0.000000 -0.000000 8.036686\nRb Ce Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753050 0.246950 0.246950 Br\n0.246950 0.246950 0.753050 Br\n0.246949 0.753050 0.753050 Br\n0.246949 0.753050 0.246950 Br\n0.753050 0.246950 0.753050 Br\n0.753049 0.753050 0.246950 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ce-Rb",
"density": 4.064204923165686,
"density_atomic": 0.027244818891438732,
"volume": 367.0422636996257,
"volume_molar": 22.103801768681844,
"formula_full": "Rb2 Ce1 Ag1 Br6",
"formula_reduced": "Rb2CeAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112379",
"created_at": "2022-09-04T14:38:39.574710Z",
"updated_at": "2022-09-04T14:38:39.574733Z",
"structure_string": "Ba2 Sr3 Ca1 Mg2 Si4 O16\n1.0\n5.502339 -0.000000 0.000000\n-2.751169 4.765166 0.000000\n-0.000000 -0.000000 13.998334\nBa Sr Ca Mg Si O\n2 3 1 2 4 16\ndirect\n0.333334 0.666667 0.251557 Ba\n0.333334 0.666667 0.748829 Ba\n0.666667 0.333334 0.920227 Sr\n0.000000 0.000000 0.080282 Sr\n0.000000 0.000000 0.578197 Sr\n0.666667 0.333334 0.417794 Ca\n0.333334 0.666667 0.001713 Mg\n0.333334 0.666667 0.498210 Mg\n0.000000 0.000000 0.864345 Si\n0.000000 0.000000 0.363351 Si\n0.666667 0.333334 0.633309 Si\n0.666667 0.333334 0.139709 Si\n0.158991 0.317981 0.912172 O\n0.158767 0.317535 0.410885 O\n0.158991 0.841010 0.912172 O\n0.158767 0.841233 0.410885 O\n0.983835 0.491918 0.585705 O\n0.983776 0.491888 0.091275 O\n0.508083 0.016165 0.585705 O\n0.666667 0.333334 0.748910 O\n0.508083 0.491918 0.585705 O\n0.508112 0.491888 0.091275 O\n0.000000 0.000000 0.749140 O\n0.000000 0.000000 0.248292 O\n0.682466 0.841233 0.410885 O\n0.666667 0.333334 0.256010 O\n0.508112 0.016224 0.091275 O\n0.682019 0.841010 0.912172 O\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Ba",
"Sr",
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Ca-Mg-O-Si-Sr",
"density": 4.49953026403564,
"density_atomic": 0.07628801267924634,
"volume": 367.030140341003,
"volume_molar": 7.89395417248598,
"formula_full": "Ba2 Sr3 Ca1 Mg2 Si4 O16",
"formula_reduced": "Ba2Sr3CaMg2(SiO4)4",
"formula_anonymous": "AB2C2D3E4F16",
"energy_above_hull": 2.028571778214285,
"spacegroup": 156
},
{
"id": "jvasp-97001",
"created_at": "2022-09-04T14:36:08.847195Z",
"updated_at": "2022-09-04T14:36:08.847221Z",
"structure_string": "Ca4 Al4 B4 O16\n1.0\n5.799868 0.000000 0.000000\n0.000000 7.286398 -3.956868\n0.000000 -0.001622 8.684237\nCa Al B O\n4 4 4 16\ndirect\n0.011328 0.949924 0.185383 Ca\n0.511329 0.764542 0.814618 Ca\n0.011328 0.050076 0.814618 Ca\n0.511329 0.235459 0.185383 Ca\n0.739408 0.278817 0.587875 Al\n0.739408 0.721184 0.412125 Al\n0.239408 0.690942 0.412125 Al\n0.239408 0.309059 0.587875 Al\n0.474912 0.846754 0.218951 B\n0.974912 0.372197 0.218951 B\n0.974912 0.627803 0.781050 B\n0.474912 0.153247 0.781050 B\n0.779505 0.517483 0.736189 O\n0.942914 0.812250 0.884551 O\n0.493166 0.265102 0.465608 O\n0.442913 0.072302 0.884551 O\n0.993166 0.200507 0.465608 O\n0.279505 0.218706 0.736189 O\n0.442913 0.927699 0.115449 O\n0.993166 0.799494 0.534392 O\n0.692469 0.829326 0.277375 O\n0.692469 0.170674 0.722626 O\n0.192468 0.551952 0.722626 O\n0.192468 0.448049 0.277375 O\n0.279505 0.781294 0.263811 O\n0.779505 0.482517 0.263811 O\n0.493166 0.734899 0.534392 O\n0.942914 0.187751 0.115449 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Ca-O",
"density": 2.5678836657837696,
"density_atomic": 0.0763026140613585,
"volume": 366.9599049055369,
"volume_molar": 7.892443573633421,
"formula_full": "Ca4 Al4 B4 O16",
"formula_reduced": "CaAlBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.057714257619048,
"spacegroup": 37
},
{
"id": "jvasp-5203",
"created_at": "2022-09-04T14:36:42.901551Z",
"updated_at": "2022-09-04T14:36:42.901575Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.112822 0.000000 0.000000\n0.000000 8.640639 0.000000\n0.000000 0.000000 10.323999\nSb S I\n4 4 4\ndirect\n0.750000 0.119547 0.124087 Sb\n0.750000 0.619547 0.375913 Sb\n0.250000 0.880453 0.875913 Sb\n0.250000 0.380453 0.624087 Sb\n0.750000 0.343693 0.454481 S\n0.250000 0.656307 0.545519 S\n0.250000 0.156307 0.954481 S\n0.750000 0.843693 0.045519 S\n0.750000 0.510755 0.827838 I\n0.250000 0.489245 0.172162 I\n0.750000 0.010755 0.672162 I\n0.250000 0.989245 0.327838 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 5.082335910312657,
"density_atomic": 0.032707512594330614,
"volume": 366.8881870913055,
"volume_molar": 18.412102548708805,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8195774583333334,
"spacegroup": 62
}
]
}