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=-created_at&page=420",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=418",
"results": [
{
"id": "jvasp-113509",
"created_at": "2022-09-04T14:38:42.947606Z",
"updated_at": "2022-09-04T14:38:42.947631Z",
"structure_string": "Ba1 Te3\n1.0\n6.592498 -0.172452 0.022844\n-4.590513 -4.731598 -0.197778\n0.536374 2.819904 -5.208351\nBa Te\n1 3\ndirect\n0.613337 0.274477 0.653823 Ba\n0.087307 0.090325 0.013523 Te\n-0.098382 -0.067511 0.497701 Te\n0.005626 0.505332 0.228312 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 5.079197844626779,
"density_atomic": 0.0235232121222713,
"volume": 170.04480422182144,
"volume_molar": 25.600843663261273,
"formula_full": "Ba1 Te3",
"formula_reduced": "BaTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7733788833333334,
"spacegroup": 1
},
{
"id": "jvasp-114825",
"created_at": "2022-09-04T14:38:42.947048Z",
"updated_at": "2022-09-04T14:38:42.947081Z",
"structure_string": "Cr1 H1 F4\n1.0\n3.034881 -0.060769 0.511001\n-0.040786 4.000398 0.196565\n0.914870 0.664453 4.701742\nCr H F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 H\n0.381867 0.113217 0.220697 F\n0.828461 0.581338 0.287926 F\n0.618133 -0.113219 0.779303 F\n0.171538 0.418662 0.712072 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H",
"density": 3.9103181193758614,
"density_atomic": 0.10952983544239081,
"volume": 54.77959476307082,
"volume_molar": 5.498173840649522,
"formula_full": "Cr1 H1 F4",
"formula_reduced": "CrHF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.885343088333334,
"spacegroup": 2
},
{
"id": "jvasp-112843",
"created_at": "2022-09-04T14:38:42.946065Z",
"updated_at": "2022-09-04T14:38:42.946104Z",
"structure_string": "V4 O3 F9\n1.0\n5.098776 -0.000000 0.000000\n0.000000 7.066217 -0.439006\n-0.000000 -0.073956 5.335786\nV O F\n4 3 9\ndirect\n0.502562 0.499452 0.500785 V\n0.502562 0.000548 0.499216 V\n0.008773 0.509947 0.000166 V\n0.008773 0.990053 -0.000167 V\n0.583912 0.250000 0.500000 O\n0.417769 0.750000 0.500000 O\n0.091764 0.750000 -0.000001 O\n0.880556 0.250000 -0.000000 F\n0.820026 0.551767 0.314765 F\n0.820026 0.948233 0.685234 F\n0.687258 0.945011 0.182285 F\n0.687258 0.554989 0.817714 F\n0.311526 0.438820 0.183688 F\n0.311526 0.061180 0.816312 F\n0.182856 0.057861 0.312673 F\n0.182856 0.442139 0.687327 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6547305859088133,
"density_atomic": 0.08329958017317533,
"volume": 192.07779879246525,
"volume_molar": 7.229497132494898,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy_above_hull": 1.64049374015625,
"spacegroup": 3
},
{
"id": "jvasp-116484",
"created_at": "2022-09-04T14:38:42.938285Z",
"updated_at": "2022-09-04T14:38:42.938310Z",
"structure_string": "Li4 Mn2 Sn2 S8\n1.0\n6.828645 0.000000 0.000000\n-0.000000 5.035991 4.041024\n-0.000000 0.033445 10.240983\nLi Mn Sn S\n4 2 2 8\ndirect\n0.338507 0.165151 0.225840 Li\n0.661492 0.165151 0.725840 Li\n0.833187 0.913454 0.479125 Li\n0.166813 0.913455 0.979125 Li\n0.169762 0.418686 0.475933 Mn\n0.830237 0.418687 0.975932 Mn\n0.669454 0.667216 0.227192 Sn\n0.330545 0.667217 0.727191 Sn\n0.333538 0.539728 0.229344 S\n0.666461 0.539729 0.729343 S\n0.839020 0.293701 0.476576 S\n0.160979 0.293701 0.976575 S\n0.832151 0.789869 0.975747 S\n0.167849 0.789869 0.475748 S\n0.676169 0.047126 0.225341 S\n0.323831 0.047127 0.725340 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"S"
],
"chemical_system": "Li-Mn-S-Sn",
"density": 2.985767563867398,
"density_atomic": 0.045551056056793715,
"volume": 351.25420539209824,
"volume_molar": 13.22063917133229,
"formula_full": "Li4 Mn2 Sn2 S8",
"formula_reduced": "Li2MnSnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8666848676724137,
"spacegroup": 7
},
{
"id": "jvasp-116668",
"created_at": "2022-09-04T14:38:42.936456Z",
"updated_at": "2022-09-04T14:38:42.936482Z",
"structure_string": "Na2 Sr2 Mg4 F14\n1.0\n6.481765 -0.001404 -3.541622\n-2.131961 5.974559 -3.783616\n-0.007307 0.001404 7.386224\nNa Sr Mg F\n2 2 4 14\ndirect\n-0.000000 -0.000000 0.499999 Na\n0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Sr\n0.499999 -0.000000 0.500000 Sr\n0.499999 0.500000 0.499999 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.499999 Mg\n0.179324 0.826381 0.757376 F\n0.569003 0.421947 0.742622 F\n0.181234 0.431235 0.749999 F\n0.578688 0.828688 0.749999 F\n0.820675 0.578053 0.647056 F\n0.430995 0.173619 0.852942 F\n0.421311 0.171312 0.250000 F\n0.430996 0.578053 0.257377 F\n0.818765 0.568765 0.250000 F\n0.569004 0.826382 0.147057 F\n0.885245 0.135246 0.749999 F\n0.114754 0.864754 0.249999 F\n0.820675 0.173619 0.242623 F\n0.179324 0.421947 0.352942 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na-Sr",
"density": 3.394302274079336,
"density_atomic": 0.07694867068295233,
"volume": 285.9048740509823,
"volume_molar": 7.826179070477666,
"formula_full": "Na2 Sr2 Mg4 F14",
"formula_reduced": "NaSrMg2F7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-113460",
"created_at": "2022-09-04T14:38:42.936028Z",
"updated_at": "2022-09-04T14:38:42.936055Z",
"structure_string": "S1 N1\n1.0\n3.306873 0.000000 0.000000\n-1.653436 2.863836 -0.000000\n0.000000 0.000000 3.342680\nS N\n1 1\ndirect\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.4167007220649857,
"density_atomic": 0.06317853227946194,
"volume": 31.65632261213766,
"volume_molar": 9.531941535713194,
"formula_full": "S1 N1",
"formula_reduced": "SN",
"formula_anonymous": "AB",
"energy_above_hull": 3.113631625,
"spacegroup": 187
},
{
"id": "jvasp-116418",
"created_at": "2022-09-04T14:38:42.934107Z",
"updated_at": "2022-09-04T14:38:42.934133Z",
"structure_string": "Ca1 As1 O2\n1.0\n3.486996 0.000000 0.000000\n0.000000 3.486996 -0.000000\n0.000000 -0.000000 4.664850\nCa As O\n1 1 2\ndirect\n0.500000 0.500000 0.505221 Ca\n0.000000 0.000000 0.015642 As\n0.000000 0.000000 0.419207 O\n0.500000 0.500000 0.008515 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 4.30349322300297,
"density_atomic": 0.07052115385633057,
"volume": 56.72056937906904,
"volume_molar": 8.539481319702489,
"formula_full": "Ca1 As1 O2",
"formula_reduced": "CaAsO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2237597925,
"spacegroup": 99
},
{
"id": "jvasp-112881",
"created_at": "2022-09-04T14:38:42.932164Z",
"updated_at": "2022-09-04T14:38:42.932185Z",
"structure_string": "Li1 Mo6 Se8\n1.0\n6.776998 -0.009519 -0.169815\n-0.173885 6.774774 -0.169815\n-0.009291 -0.009519 6.779119\nLi Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.767279 0.581391 0.449787 Mo\n0.449789 0.767278 0.581391 Mo\n0.581392 0.449788 0.767278 Mo\n0.232722 0.418608 0.550211 Mo\n0.550212 0.232721 0.418608 Mo\n0.418609 0.550211 0.232721 Mo\n0.777521 0.777520 0.777520 Se\n0.222480 0.222479 0.222479 Se\n0.255540 0.623796 0.874861 Se\n0.874861 0.255539 0.623796 Se\n0.623797 0.874860 0.255538 Se\n0.744461 0.376203 0.125138 Se\n0.125140 0.744460 0.376203 Se\n0.376204 0.125139 0.744460 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mo",
"Se"
],
"chemical_system": "Li-Mo-Se",
"density": 6.478910632896984,
"density_atomic": 0.04819834263339975,
"volume": 311.2140206581612,
"volume_molar": 12.494497592593296,
"formula_full": "Li1 Mo6 Se8",
"formula_reduced": "Li(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.913727488888888,
"spacegroup": 148
},
{
"id": "jvasp-112757",
"created_at": "2022-09-04T14:38:42.928035Z",
"updated_at": "2022-09-04T14:38:42.928054Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.557074 0.028438 0.052816\n-0.053695 8.902489 -0.065025\n-0.040240 0.033710 4.557083\nMn O F\n6 8 4\ndirect\n-0.000005 0.650185 -0.000005 Mn\n0.499997 0.148289 0.499996 Mn\n0.499997 0.514853 0.499998 Mn\n0.000000 0.329897 -0.000001 Mn\n0.500009 0.836660 0.500011 Mn\n0.000004 0.019814 0.000004 Mn\n0.196029 0.495410 0.803955 O\n0.199872 0.168463 0.800104 O\n0.695874 0.669199 0.695891 O\n0.695888 0.999823 0.695908 O\n0.304129 -0.000159 0.304111 O\n0.803969 0.495408 0.196046 O\n0.800123 0.168462 0.199890 O\n0.304116 0.669215 0.304101 O\n0.684970 0.329192 0.684994 F\n0.814741 0.838041 0.185294 F\n0.315019 0.329210 0.314996 F\n0.185270 0.838042 0.814719 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.791926594328958,
"density_atomic": 0.09734280128015456,
"volume": 184.9135196776969,
"volume_molar": 6.186529132922892,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.676865143237548,
"spacegroup": 113
},
{
"id": "jvasp-114742",
"created_at": "2022-09-04T14:38:42.925373Z",
"updated_at": "2022-09-04T14:38:42.925397Z",
"structure_string": "Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"F"
],
"chemical_system": "Cd-F",
"density": 6.329731349307234,
"density_atomic": 0.07603036188888766,
"volume": 39.45792082884285,
"volume_molar": 7.920705110940916,
"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0190266666666666,
"spacegroup": 12
},
{
"id": "jvasp-112053",
"created_at": "2022-09-04T14:38:42.920481Z",
"updated_at": "2022-09-04T14:38:42.920493Z",
"structure_string": "H14 C22 S4 N2\n1.0\n3.739031 0.238769 -0.272716\n-0.812145 10.488748 -4.022252\n0.131432 -0.245965 11.023791\nH C S N\n14 22 4 2\ndirect\n0.770858 0.841775 0.009194 H\n0.746777 0.611102 0.386789 H\n0.305205 0.786091 0.840721 H\n0.305204 0.786092 0.340721 H\n0.280065 0.552523 0.717677 H\n0.280064 0.552524 0.217677 H\n0.955476 0.003700 0.672914 H\n0.746777 0.611102 0.886788 H\n0.718504 0.415221 0.280777 H\n0.718503 0.415221 0.780777 H\n0.767644 0.171095 0.190302 H\n0.767644 0.171095 0.690302 H\n0.770857 0.841775 0.509194 H\n0.955477 0.003700 0.172915 H\n0.042251 0.830912 0.683513 C\n0.014890 0.561667 0.041504 C\n0.014890 0.561667 0.541504 C\n0.137378 0.054549 0.861370 C\n0.883712 0.778024 0.554876 C\n0.883713 0.778025 0.054877 C\n0.870343 0.647277 0.985996 C\n0.870343 0.647278 0.485996 C\n0.042251 0.830913 0.183513 C\n0.137379 0.054550 0.361370 C\n0.167827 0.615551 0.670751 C\n0.055028 0.185344 0.876237 C\n0.183854 0.747514 0.741582 C\n0.183854 0.747515 0.241582 C\n0.055029 0.185344 0.376237 C\n0.002604 0.424512 0.464111 C\n0.002604 0.424512 0.964111 C\n0.850651 0.364497 0.337073 C\n0.850650 0.364496 0.837073 C\n0.878597 0.230676 0.287876 C\n0.878597 0.230676 0.787876 C\n0.167827 0.615551 0.170751 C\n0.181413 0.311499 0.022019 S\n0.181413 0.311499 0.522019 S\n0.336417 0.022787 0.986228 S\n0.336417 0.022787 0.486228 S\n0.041890 0.965515 0.239977 N\n0.041890 0.965515 0.739977 N\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6746331376916748,
"density_atomic": 0.09745636444332734,
"volume": 430.96210534740163,
"volume_molar": 6.179320144352384,
"formula_full": "H14 C22 S4 N2",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.634767297619048,
"spacegroup": 1
},
{
"id": "jvasp-107357",
"created_at": "2022-09-04T14:38:42.918895Z",
"updated_at": "2022-09-04T14:38:42.918920Z",
"structure_string": "Ce1 Al1 Co4\n1.0\n4.061115 -0.000000 0.000000\n-0.000000 4.275072 2.338125\n0.000000 -0.041779 4.872506\nCe Al Co\n1 1 4\ndirect\n0.000000 0.999983 0.000016 Ce\n0.499999 0.499983 0.500017 Al\n0.000000 0.306992 0.307025 Co\n0.000000 0.692975 0.693008 Co\n0.499999 0.499983 0.000016 Co\n0.499999 0.999983 0.500017 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Co"
],
"chemical_system": "Al-Ce-Co",
"density": 7.870426439312281,
"density_atomic": 0.0705957029846216,
"volume": 84.99100860723811,
"volume_molar": 8.530463619452657,
"formula_full": "Ce1 Al1 Co4",
"formula_reduced": "CeAlCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.091390316666667,
"spacegroup": 65
}
]
}