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=-density&page=3505",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3503",
"results": [
{
"id": "jvasp-52380",
"created_at": "2022-09-04T14:37:06.751485Z",
"updated_at": "2022-09-04T14:37:06.751522Z",
"structure_string": "Li6 Bi2 S6\n1.0\n5.433545 3.136901 2.693035\n-5.433383 3.137158 2.693076\n-0.000200 -6.274029 2.692996\nLi Bi S\n6 2 6\ndirect\n0.299821 0.899673 0.527988 Li\n0.399676 0.799819 0.027988 Li\n0.799818 0.027992 0.399673 Li\n0.527991 0.299818 0.899673 Li\n0.899675 0.527990 0.299821 Li\n0.027993 0.399672 0.799823 Li\n0.492531 0.492534 0.492534 Bi\n0.992534 0.992532 0.992535 Bi\n0.073083 0.717238 0.705603 S\n0.217239 0.573085 0.205603 S\n0.205605 0.217239 0.573086 S\n0.717243 0.705605 0.073087 S\n0.573084 0.205604 0.217240 S\n0.705601 0.073084 0.717238 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.931037560745575,
"density_atomic": 0.05083240614765751,
"volume": 275.4148595550037,
"volume_molar": 11.847050368827595,
"formula_full": "Li6 Bi2 S6",
"formula_reduced": "Li3BiS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2601234714285714,
"spacegroup": 161
},
{
"id": "jvasp-39392",
"created_at": "2022-09-04T14:38:29.857653Z",
"updated_at": "2022-09-04T14:38:29.857666Z",
"structure_string": "Nd2 Cl4\n1.0\n7.118427 0.000000 0.000000\n0.000000 7.118427 0.000000\n0.000000 0.000000 3.587257\nNd Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.279304 0.279304 0.000000 Cl\n0.720697 0.720697 0.000000 Cl\n0.220697 0.779304 0.500000 Cl\n0.779304 0.220697 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Cl"
],
"chemical_system": "Cl-Nd",
"density": 3.930844313430603,
"density_atomic": 0.033008112233400104,
"volume": 181.77349730193737,
"volume_molar": 18.24442645316245,
"formula_full": "Nd2 Cl4",
"formula_reduced": "NdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0083466666666668,
"spacegroup": 136
},
{
"id": "jvasp-54780",
"created_at": "2022-09-04T14:37:04.711996Z",
"updated_at": "2022-09-04T14:37:04.712012Z",
"structure_string": "Sb4 H4 O12\n1.0\n5.373006 5.362724 0.000000\n0.000000 5.362724 5.007192\n5.373006 0.000000 5.007192\nSb H O\n4 4 12\ndirect\n0.997968 0.496866 0.002440 Sb\n0.997275 0.997559 0.503134 Sb\n0.496867 0.997967 0.002726 Sb\n0.997561 0.997273 0.002033 Sb\n0.588216 0.052082 0.264499 H\n0.052083 0.588215 0.595205 H\n0.404796 0.735501 0.947918 H\n0.735502 0.404794 0.411785 H\n0.308745 0.308743 0.941256 O\n0.930911 0.930910 0.319090 O\n0.897364 0.337506 0.341910 O\n0.337508 0.897362 0.923221 O\n0.681711 0.070252 0.690165 O\n0.076780 0.658090 0.662493 O\n0.680911 0.680910 0.069090 O\n0.058745 0.058744 0.691256 O\n0.942128 0.309834 0.929748 O\n0.658091 0.076779 0.102637 O\n0.070253 0.681710 0.057873 O\n0.309836 0.942127 0.318290 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"H",
"O"
],
"chemical_system": "H-O-Sb",
"density": 3.930826169198034,
"density_atomic": 0.0693111307141529,
"volume": 288.5539421147565,
"volume_molar": 8.688562281339777,
"formula_full": "Sb4 H4 O12",
"formula_reduced": "SbHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1932513200000003,
"spacegroup": 43
},
{
"id": "jvasp-20790",
"created_at": "2022-09-04T14:38:35.586398Z",
"updated_at": "2022-09-04T14:38:35.586408Z",
"structure_string": "Ba8 Al10\n1.0\n3.056952 -5.294798 -0.000000\n3.056952 5.294798 0.000000\n-0.000000 -0.000000 17.858155\nBa Al\n8 10\ndirect\n0.000000 0.000000 0.641987 Ba\n0.000000 0.000000 0.141987 Ba\n0.000000 0.000000 0.358013 Ba\n0.000000 0.000000 0.858012 Ba\n0.333333 0.666667 0.070051 Ba\n0.666667 0.333333 0.570051 Ba\n0.666667 0.333333 0.929949 Ba\n0.333333 0.666667 0.429949 Ba\n0.666667 0.333333 0.136056 Al\n0.333333 0.666667 0.636056 Al\n0.509945 0.490054 0.750000 Al\n0.490054 0.980109 0.250000 Al\n0.490054 0.509945 0.250000 Al\n0.980109 0.490054 0.750000 Al\n0.509946 0.019890 0.750000 Al\n0.333333 0.666667 0.863944 Al\n0.019890 0.509946 0.250000 Al\n0.666667 0.333333 0.363944 Al\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.930678511588198,
"density_atomic": 0.031136364711448504,
"volume": 578.1021698201523,
"volume_molar": 19.341181335102117,
"formula_full": "Ba8 Al10",
"formula_reduced": "Ba4Al5",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.946633097777778,
"spacegroup": 194
},
{
"id": "jvasp-117035",
"created_at": "2022-09-04T14:38:47.805552Z",
"updated_at": "2022-09-04T14:38:47.805570Z",
"structure_string": "Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-Sr",
"density": 3.930572745224369,
"density_atomic": 0.0680480965802425,
"volume": 352.6917166845238,
"volume_molar": 8.849829844834344,
"formula_full": "Ba2 Sr2 Mg2 Si4 O14",
"formula_reduced": "BaSrMgSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9177410858333332,
"spacegroup": 4
},
{
"id": "jvasp-42934",
"created_at": "2022-09-04T14:38:11.034671Z",
"updated_at": "2022-09-04T14:38:11.034705Z",
"structure_string": "Cr4 O1 F11\n1.0\n-4.910038 0.000000 0.000000\n-2.455019 -4.626727 -0.066111\n0.000000 -2.570379 8.015277\nCr O F\n4 1 11\ndirect\n0.744930 0.517850 0.258999 Cr\n0.512779 0.982151 0.491002 Cr\n0.250961 0.496118 0.748731 Cr\n0.997078 0.003882 0.001269 Cr\n0.759992 0.750001 0.375000 O\n0.805226 0.747273 0.691964 F\n0.802499 0.752728 0.058037 F\n0.738347 0.257828 0.126668 F\n0.695622 0.249477 0.805215 F\n0.691887 0.249419 0.443654 F\n0.303165 0.749079 0.553091 F\n0.302244 0.750922 0.196909 F\n0.262698 0.750001 0.875000 F\n0.246175 0.242172 0.623332 F\n0.191304 0.250581 0.306346 F\n0.195097 0.250523 0.944786 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 3.9304326978331705,
"density_atomic": 0.08746961601309686,
"volume": 182.92066124543538,
"volume_molar": 6.884837312076805,
"formula_full": "Cr4 O1 F11",
"formula_reduced": "Cr4OF11",
"formula_anonymous": "AB4C11",
"energy_above_hull": 1.38845101296875,
"spacegroup": 5
},
{
"id": "jvasp-53662",
"created_at": "2022-09-04T14:35:49.251920Z",
"updated_at": "2022-09-04T14:35:49.251950Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.592651 0.170508 2.427811\n2.135000 5.620024 1.131933\n-0.290983 0.082239 6.110051\nBa Fe S\n1 2 4\ndirect\n0.750000 -0.000047 0.000047 Ba\n0.250000 0.499940 0.500060 Fe\n0.750000 0.500058 0.499942 Fe\n0.154059 0.500020 0.192120 S\n0.345941 0.807880 0.499979 S\n0.654069 0.192133 0.499983 S\n0.845931 0.500016 0.807867 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 3.930407540763122,
"density_atomic": 0.043916345878424703,
"volume": 159.39395366313872,
"volume_molar": 13.712754646461985,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.178048138571428,
"spacegroup": 97
},
{
"id": "jvasp-21825",
"created_at": "2022-09-04T14:37:30.082609Z",
"updated_at": "2022-09-04T14:37:30.082636Z",
"structure_string": "Ba2 Be4 Si4 O14\n1.0\n4.704848 0.000000 0.000000\n0.000000 4.954302 0.000000\n0.000000 0.000000 11.728969\nBa Be Si O\n2 4 4 14\ndirect\n0.007442 0.202058 0.000000 Ba\n0.507442 0.797942 0.500000 Ba\n0.518036 0.168594 0.250752 Be\n0.018036 0.831406 0.249248 Be\n0.518036 0.168594 0.749248 Be\n0.018036 0.831406 0.750752 Be\n0.031011 0.325808 0.371405 Si\n0.531011 0.674192 0.128595 Si\n0.531011 0.674192 0.871405 Si\n0.031011 0.325808 0.628595 Si\n0.868898 0.134326 0.724074 O\n0.368898 0.865674 0.775927 O\n0.961683 0.646575 0.361330 O\n0.461683 0.353424 0.138670 O\n0.461683 0.353424 0.861330 O\n0.961683 0.646575 0.638670 O\n0.919563 0.222694 0.500000 O\n0.372073 0.271664 0.366912 O\n0.872073 0.728336 0.866912 O\n0.372073 0.271664 0.633088 O\n0.868898 0.134326 0.275927 O\n0.419562 0.777306 0.000000 O\n0.872073 0.728336 0.133088 O\n0.368898 0.865674 0.224074 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Be",
"Si",
"O"
],
"chemical_system": "Ba-Be-O-Si",
"density": 3.9299755671369394,
"density_atomic": 0.08778560967663594,
"volume": 273.39332822777646,
"volume_molar": 6.860054605968964,
"formula_full": "Ba2 Be4 Si4 O14",
"formula_reduced": "BaBe2Si2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.441699989166666,
"spacegroup": 31
},
{
"id": "jvasp-36504",
"created_at": "2022-09-04T14:37:30.107770Z",
"updated_at": "2022-09-04T14:37:30.107806Z",
"structure_string": "Ba3 Bi1 P1\n1.0\n6.506613 -0.000000 0.000000\n-0.000000 6.506613 0.000000\n0.000000 -0.000000 6.506613\nBa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 3.929964008781047,
"density_atomic": 0.018151188822357216,
"volume": 275.4640508086936,
"volume_molar": 33.17766576579489,
"formula_full": "Ba3 Bi1 P1",
"formula_reduced": "Ba3BiP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6312615420000001,
"spacegroup": 221
},
{
"id": "jvasp-43806",
"created_at": "2022-09-04T14:36:00.561600Z",
"updated_at": "2022-09-04T14:36:00.561626Z",
"structure_string": "V5 O12\n1.0\n4.897608 -0.022739 -0.007832\n0.042215 5.262350 0.010527\n-0.003342 0.880472 7.325043\nV O\n5 12\ndirect\n0.975474 0.020055 0.984195 V\n0.523871 0.489323 0.515371 V\n0.030349 -0.004400 0.519249 V\n0.467242 0.496233 0.978069 V\n0.006785 0.594991 0.274047 V\n0.317552 0.776579 0.924855 O\n0.196064 0.655263 0.521367 O\n0.814402 0.621742 0.071796 O\n0.327934 0.458550 0.232731 O\n0.612412 0.473755 0.736323 O\n0.838177 0.300589 0.413230 O\n0.105697 0.935083 0.226543 O\n0.677758 0.145830 0.035262 O\n0.894006 0.961480 0.732668 O\n0.711860 0.759672 0.419601 O\n0.175176 0.283595 0.930619 O\n0.325255 0.150253 0.543374 O\n",
"nsites": 17,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.929892381140972,
"density_atomic": 0.09006669722049405,
"volume": 188.74901072903745,
"volume_molar": 6.6863124171824335,
"formula_full": "V5 O12",
"formula_reduced": "V5O12",
"formula_anonymous": "A5B12",
"energy_above_hull": 3.5968525294117644,
"spacegroup": 1
},
{
"id": "jvasp-44651",
"created_at": "2022-09-04T14:38:05.816051Z",
"updated_at": "2022-09-04T14:38:05.816078Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n0.000000 4.676939 0.036354\n5.647329 0.000000 0.000000\n0.000000 -0.195087 -9.623738\nMn Fe P O\n2 2 4 16\ndirect\n0.567275 0.250000 0.229846 Mn\n0.432725 0.750000 0.770155 Mn\n0.945526 0.250000 0.728145 Fe\n0.054474 0.750000 0.271856 Fe\n0.883362 0.750000 0.584212 P\n0.612822 0.750000 0.091640 P\n0.387177 0.250000 0.908360 P\n0.116638 0.250000 0.415789 P\n0.260646 0.465654 0.339867 O\n0.209659 0.750000 0.607899 O\n0.293886 0.750000 0.115156 O\n0.219682 0.040482 0.832255 O\n0.219682 0.459518 0.832255 O\n0.333794 0.250000 0.064250 O\n0.666206 0.750000 0.935751 O\n0.790341 0.250000 0.392102 O\n0.780318 0.959518 0.167746 O\n0.706114 0.250000 0.884844 O\n0.260646 0.034346 0.339867 O\n0.739353 0.534346 0.660133 O\n0.739353 0.965654 0.660133 O\n0.815510 0.750000 0.428469 O\n0.780318 0.540482 0.167746 O\n0.184490 0.250000 0.571532 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mn-O-P",
"density": 3.929792220167712,
"density_atomic": 0.09443458867237116,
"volume": 254.14416833290775,
"volume_molar": 6.377049812641271,
"formula_full": "Mn2 Fe2 P4 O16",
"formula_reduced": "MnFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1880851451149423,
"spacegroup": 11
},
{
"id": "jvasp-80488",
"created_at": "2022-09-04T14:37:17.903394Z",
"updated_at": "2022-09-04T14:37:17.903419Z",
"structure_string": "Mg2 Ga2\n1.0\n3.156123 0.000000 0.000000\n0.000000 5.255211 0.000000\n0.000000 0.000000 4.791099\nMg Ga\n2 2\ndirect\n0.499999 0.000000 0.605420 Mg\n0.000000 0.500000 0.394580 Mg\n0.000000 0.000000 0.098437 Ga\n0.499999 0.500000 0.901564 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.929678934877824,
"density_atomic": 0.05033623962143038,
"volume": 79.4656102657502,
"volume_molar": 11.963827264991219,
"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.2394805,
"spacegroup": 59
}
]
}