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=4350",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4348",
"results": [
{
"id": "jvasp-25643",
"created_at": "2022-09-04T14:38:16.528382Z",
"updated_at": "2022-09-04T14:38:16.528418Z",
"structure_string": "K8 Be8 Si12 O36\n1.0\n0.000000 10.262141 0.030137\n6.953847 0.000000 0.000000\n0.000000 -3.539018 -11.686616\nK Be Si O\n8 8 12 36\ndirect\n0.539970 0.372238 0.856770 K\n0.062051 0.109567 0.646782 K\n0.460029 0.872238 0.643230 K\n0.460030 0.627762 0.143230 K\n0.539970 0.127762 0.356770 K\n0.062051 0.390433 0.146782 K\n0.937948 0.890433 0.353218 K\n0.937948 0.609567 0.853218 K\n0.568470 0.908585 0.956321 Be\n0.431530 0.408585 0.543679 Be\n0.062341 0.426949 0.441626 Be\n0.568470 0.591416 0.456321 Be\n0.937659 0.573051 0.558374 Be\n0.937659 0.926949 0.058374 Be\n0.062341 0.073051 0.941626 Be\n0.431530 0.091416 0.043679 Be\n0.243748 0.531621 0.681798 Si\n0.756251 0.468379 0.318202 Si\n0.255300 0.679011 0.372381 Si\n0.756251 0.031621 0.818203 Si\n0.255300 0.820990 0.872381 Si\n0.238244 0.386407 0.920686 Si\n0.243749 0.968379 0.181797 Si\n0.761756 0.613594 0.079314 Si\n0.238244 0.113594 0.420686 Si\n0.761756 0.886407 0.579314 Si\n0.744700 0.320990 0.627619 Si\n0.744700 0.179011 0.127619 Si\n0.100449 0.201560 0.439922 O\n0.239141 0.623603 0.944865 O\n0.600756 0.429509 0.566328 O\n0.899551 0.798440 0.560078 O\n0.877376 0.048056 0.142948 O\n0.399243 0.929509 0.933672 O\n0.600756 0.070492 0.066328 O\n0.380202 0.493997 0.645727 O\n0.257947 0.752264 0.243081 O\n0.760859 0.376398 0.055136 O\n0.102995 0.518949 0.576969 O\n0.742053 0.247736 0.756919 O\n0.897004 0.018949 0.923031 O\n0.100449 0.298440 0.939922 O\n0.122624 0.951944 0.857052 O\n0.399243 0.570492 0.433672 O\n0.760859 0.123603 0.555136 O\n0.379949 0.303342 0.002910 O\n0.380202 0.006003 0.145727 O\n0.620050 0.803342 0.497090 O\n0.379949 0.196658 0.502910 O\n0.763028 0.873769 0.716923 O\n0.899551 0.701560 0.060078 O\n0.877375 0.451944 0.642948 O\n0.236971 0.373769 0.783077 O\n0.620050 0.696659 0.997090 O\n0.236971 0.126231 0.283077 O\n0.102995 0.981052 0.076969 O\n0.122624 0.548056 0.357052 O\n0.239141 0.876398 0.444864 O\n0.257947 0.747737 0.743081 O\n0.619798 0.506003 0.354273 O\n0.897004 0.481052 0.423031 O\n0.742053 0.252264 0.256919 O\n0.619798 0.993997 0.854273 O\n0.763028 0.626231 0.216923 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"K",
"Be",
"Si",
"O"
],
"chemical_system": "Be-K-O-Si",
"density": 2.586550215800461,
"density_atomic": 0.07680942042636586,
"volume": 833.2311277020278,
"volume_molar": 7.840367400992418,
"formula_full": "K8 Be8 Si12 O36",
"formula_reduced": "K2Be2(SiO3)3",
"formula_anonymous": "A2B2C3D9",
"energy_above_hull": 2.38836659375,
"spacegroup": 14
},
{
"id": "jvasp-109486",
"created_at": "2022-09-04T14:38:16.529733Z",
"updated_at": "2022-09-04T14:38:16.529764Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n6.869209 -0.000000 3.965940\n2.289736 6.476352 3.965940\n-0.000000 -0.000000 7.931879\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.775632 0.224368 0.224369 Br\n0.224369 0.224368 0.775631 Br\n0.224369 0.775631 0.775631 Br\n0.224369 0.775631 0.224368 Br\n0.775632 0.224368 0.775631 Br\n0.775632 0.775631 0.224368 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Rb-Tl",
"density": 4.149241563635046,
"density_atomic": 0.028339145041462878,
"volume": 352.86879633697646,
"volume_molar": 21.25025561353045,
"formula_full": "Rb2 Al1 Tl1 Br6",
"formula_reduced": "Rb2AlTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34417",
"created_at": "2022-09-04T14:38:16.511390Z",
"updated_at": "2022-09-04T14:38:16.511409Z",
"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 4.097162682830391,
"density_atomic": 0.06954650591459337,
"volume": 316.3350870138194,
"volume_molar": 8.659156460563947,
"formula_full": "Ba3 Si6 N4 O9",
"formula_reduced": "Ba3Si6N4O9",
"formula_anonymous": "A3B4C6D9",
"energy_above_hull": 3.370708818636364,
"spacegroup": 143
},
{
"id": "jvasp-11123",
"created_at": "2022-09-04T14:38:11.245538Z",
"updated_at": "2022-09-04T14:38:11.245569Z",
"structure_string": "Ba2 Sr1 Te1 O6\n1.0\n5.304493 -0.015437 2.995421\n1.741348 5.010548 2.995421\n-0.021774 -0.015437 6.091775\nBa Sr Te O\n2 1 1 6\ndirect\n0.748540 0.748539 0.748540 Ba\n0.251460 0.251460 0.251460 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Te\n0.675182 0.281078 0.771800 O\n0.281079 0.771799 0.675181 O\n0.771800 0.675181 0.281079 O\n0.324819 0.718921 0.228200 O\n0.228201 0.324818 0.718922 O\n0.718922 0.228200 0.324819 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Te",
"O"
],
"chemical_system": "Ba-O-Sr-Te",
"density": 5.984402335113846,
"density_atomic": 0.06151345628484141,
"volume": 162.56605633886764,
"volume_molar": 9.789956740707511,
"formula_full": "Ba2 Sr1 Te1 O6",
"formula_reduced": "Ba2SrTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.4624557016666664,
"spacegroup": 148
},
{
"id": "jvasp-109490",
"created_at": "2022-09-04T14:38:27.177279Z",
"updated_at": "2022-09-04T14:38:27.177310Z",
"structure_string": "Rb2 Li1 Ru1 F6\n1.0\n5.058136 -0.000000 2.920316\n1.686045 4.768856 2.920316\n-0.000000 -0.000000 5.840632\nRb Li Ru F\n2 1 1 6\ndirect\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.754410 0.245591 0.245591 F\n0.245591 0.245591 0.754409 F\n0.245591 0.754410 0.754409 F\n0.245591 0.754410 0.245591 F\n0.754410 0.245591 0.754409 F\n0.754410 0.754410 0.245591 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ru",
"F"
],
"chemical_system": "F-Li-Rb-Ru",
"density": 4.631348790459407,
"density_atomic": 0.07097991019330434,
"volume": 140.88493452254772,
"volume_molar": 8.484289066581658,
"formula_full": "Rb2 Li1 Ru1 F6",
"formula_reduced": "Rb2LiRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0313332195,
"spacegroup": 225
},
{
"id": "jvasp-110271",
"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Si",
"Os",
"Ru"
],
"chemical_system": "Ce-Os-Ru-Si",
"density": 8.516697001037143,
"density_atomic": 0.057887062922527,
"volume": 172.75017067947417,
"volume_molar": 10.403258441458181,
"formula_full": "Ce2 Si4 Os1 Ru3",
"formula_reduced": "Ce2Si4OsRu3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 4.275804190000001,
"spacegroup": 115
},
{
"id": "jvasp-28702",
"created_at": "2022-09-04T14:38:13.248107Z",
"updated_at": "2022-09-04T14:38:13.248122Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223532 0.000000 0.000000\n-1.611766 2.791650 -0.000009\n0.000000 -0.000098 34.107397\nMo W Se S\n2 2 2 6\ndirect\n0.333320 0.666643 0.093497 Mo\n0.666672 0.333346 0.282411 Mo\n0.333325 0.666654 0.471970 W\n0.666676 0.333355 0.655036 W\n0.333342 0.666687 0.332566 Se\n0.333331 0.666666 0.232253 Se\n0.333347 0.666699 0.700880 S\n0.666652 0.333304 0.047904 S\n0.666655 0.333311 0.426078 S\n0.666660 0.333321 0.139150 S\n0.666667 0.333336 0.517845 S\n0.333337 0.666678 0.609159 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.922513467629904,
"density_atomic": 0.039096665244890826,
"volume": 306.9315483772153,
"volume_molar": 15.403208233436168,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.7516782111111104,
"spacegroup": 156
},
{
"id": "jvasp-44446",
"created_at": "2022-09-04T14:38:10.851597Z",
"updated_at": "2022-09-04T14:38:10.851624Z",
"structure_string": "Li4 Mn6 Cu2 O16\n1.0\n5.708107 -0.008939 -0.083984\n-2.861795 4.956775 0.167966\n-0.136061 0.235665 9.594518\nLi Mn Cu O\n4 6 2 16\ndirect\n0.325639 0.649150 0.894923 Li\n0.008376 0.025969 0.996131 Li\n-0.008377 0.017593 0.496131 Li\n0.674360 0.323511 0.394923 Li\n0.822617 0.660232 0.713873 Mn\n0.326786 0.161546 0.714922 Mn\n0.818970 0.162997 0.715481 Mn\n0.181029 0.344027 0.215480 Mn\n0.177382 0.837615 0.213872 Mn\n0.673213 0.834758 0.214922 Mn\n0.329113 0.669321 0.494679 Cu\n0.670886 0.340206 0.994679 Cu\n0.324207 0.170314 0.105357 O\n0.855103 0.703248 0.107387 O\n0.657908 0.338894 0.607859 O\n0.502746 0.009098 0.821121 O\n0.506749 0.464695 0.831945 O\n0.675792 0.846106 0.605358 O\n0.497254 0.506353 0.321121 O\n0.044270 0.509267 0.329860 O\n0.149105 0.321118 0.606263 O\n0.988823 0.984497 0.814127 O\n0.011174 0.995674 0.314127 O\n0.342091 0.680985 0.107859 O\n0.955729 0.464996 0.829860 O\n0.144895 0.848144 0.607387 O\n0.493249 0.957945 0.331945 O\n0.850895 0.172012 0.106264 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.537318832414056,
"density_atomic": 0.10332324201646118,
"volume": 270.99420666203173,
"volume_molar": 5.828447348797447,
"formula_full": "Li4 Mn6 Cu2 O16",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.781081441009852,
"spacegroup": 9
},
{
"id": "jvasp-24924",
"created_at": "2022-09-04T14:38:27.796591Z",
"updated_at": "2022-09-04T14:38:27.796610Z",
"structure_string": "K2 Ga2 As4 O14\n1.0\n6.347000 -0.009358 -0.016056\n-1.534096 6.239865 0.043301\n-2.011834 -1.399257 7.849216\nK Ga As O\n2 2 4 14\ndirect\n0.000000 0.500000 0.500000 K\n-0.000000 0.500000 -0.000000 K\n0.378262 0.196976 0.721980 Ga\n0.621738 0.803023 0.278019 Ga\n0.830290 0.037330 0.691236 As\n0.483071 0.746831 0.835184 As\n0.169710 0.962670 0.308764 As\n0.516929 0.253169 0.164815 As\n0.095772 0.206378 0.781774 O\n0.797280 0.844120 0.524381 O\n0.202720 0.155880 0.475619 O\n0.431721 0.507198 0.706462 O\n0.439748 0.728813 0.029650 O\n0.333166 0.786129 0.335945 O\n0.568279 0.492802 0.293538 O\n0.691659 0.119924 0.277580 O\n0.904228 0.793622 0.218226 O\n0.560252 0.271187 0.970350 O\n0.308341 0.880076 0.722420 O\n0.226975 0.109089 0.139855 O\n0.773025 0.890911 0.860145 O\n0.666834 0.213870 0.664054 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Ga",
"As",
"O"
],
"chemical_system": "As-Ga-K-O",
"density": 3.9594418855109152,
"density_atomic": 0.07076222625193279,
"volume": 310.90033716115727,
"volume_molar": 8.510389057799763,
"formula_full": "K2 Ga2 As4 O14",
"formula_reduced": "KGaAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.0714843931818177,
"spacegroup": 2
},
{
"id": "jvasp-108707",
"created_at": "2022-09-04T14:38:10.978883Z",
"updated_at": "2022-09-04T14:38:10.978900Z",
"structure_string": "Ba2 Sm1 U1 O6\n1.0\n5.439486 -0.000000 3.140489\n1.813162 5.128397 3.140489\n-0.000000 -0.000000 6.280978\nBa Sm U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 U\n0.758050 0.241951 0.241951 O\n0.241950 0.758050 0.758050 O\n0.241950 0.758050 0.241951 O\n0.758050 0.241951 0.758049 O\n0.241951 0.241951 0.758050 O\n0.758049 0.758050 0.241951 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"U",
"O"
],
"chemical_system": "Ba-O-Sm-U",
"density": 7.193605092705406,
"density_atomic": 0.057073331887245185,
"volume": 175.21318047027864,
"volume_molar": 10.551584357993011,
"formula_full": "Ba2 Sm1 U1 O6",
"formula_reduced": "Ba2SmUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2265277815,
"spacegroup": 225
},
{
"id": "jvasp-42223",
"created_at": "2022-09-04T14:38:27.805732Z",
"updated_at": "2022-09-04T14:38:27.805760Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.008493 4.094948 0.011412\n-4.008493 4.094948 0.011412\n0.000000 0.022759 8.109832\nSr Ta N O\n4 4 4 8\ndirect\n0.992201 0.007016 0.247721 Sr\n0.492988 0.507800 0.252281 Sr\n0.492201 0.507013 0.747718 Sr\n0.992985 0.007800 0.752278 Sr\n0.987267 0.495954 0.492127 Ta\n0.004048 0.512733 0.007869 Ta\n0.487268 0.995953 0.992131 Ta\n0.504046 0.012734 0.507872 Ta\n0.735483 0.264518 0.500000 N\n0.967012 0.532991 0.249998 N\n0.467010 0.032989 0.750001 N\n0.235482 0.764519 -0.000000 N\n0.274765 0.725236 0.500000 O\n0.541829 0.958174 0.249999 O\n0.041826 0.458171 0.750000 O\n0.269846 0.265435 0.037236 O\n0.769841 0.765433 0.537233 O\n0.234567 0.230160 0.462766 O\n0.734566 0.730155 0.962764 O\n0.774772 0.225228 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.848073831582795,
"density_atomic": 0.07512111375253197,
"volume": 266.236734267347,
"volume_molar": 8.016575446203397,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.9037931520000004,
"spacegroup": 5
},
{
"id": "jvasp-109146",
"created_at": "2022-09-04T14:38:26.972545Z",
"updated_at": "2022-09-04T14:38:26.972575Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n5.377570 -0.000000 0.000000\n0.000000 5.377570 0.000000\n-0.000000 -0.000000 3.791650\nSr Ca Cr O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Cr\n-0.000000 0.500000 -0.000000 Cr\n0.253318 0.253318 -0.000000 O\n0.746682 0.746682 -0.000000 O\n0.253318 0.746682 -0.000000 O\n0.746682 0.253318 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O-Sr",
"density": 4.962578543383659,
"density_atomic": 0.09120100282141502,
"volume": 109.64791713509412,
"volume_molar": 6.603151910283526,
"formula_full": "Sr1 Ca1 Cr2 O6",
"formula_reduced": "SrCaCr2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.497301253,
"spacegroup": 123
}
]
}