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=-updated_at&page=367",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=365",
"results": [
{
"id": "jvasp-115283",
"created_at": "2022-09-04T14:38:44.604402Z",
"updated_at": "2022-09-04T14:38:44.604431Z",
"structure_string": "B1 As1 P2\n1.0\n3.370871 0.000000 -0.000000\n-0.000000 3.370871 -0.000000\n0.000000 -0.000000 5.847686\nB As P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 As\n0.500000 0.000000 0.185343 P\n0.000000 0.500000 0.814657 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"As",
"P"
],
"chemical_system": "As-B-P",
"density": 3.6906497835514354,
"density_atomic": 0.06019933325649422,
"volume": 66.44591864426481,
"volume_molar": 10.003666875081775,
"formula_full": "B1 As1 P2",
"formula_reduced": "BAsP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2446013333333337,
"spacegroup": 115
},
{
"id": "jvasp-112865",
"created_at": "2022-09-04T14:38:44.600524Z",
"updated_at": "2022-09-04T14:38:44.600555Z",
"structure_string": "Nd4 Al4 Au4\n1.0\n4.577011 -0.000000 0.000000\n0.000000 7.509263 0.000000\n-0.000000 -0.000000 7.808830\nNd Al Au\n4 4 4\ndirect\n0.250000 0.009905 0.305829 Nd\n0.250000 0.509905 0.194171 Nd\n0.750000 0.990094 0.694171 Nd\n0.750000 0.490095 0.805829 Nd\n0.250000 0.175138 0.918238 Al\n0.250000 0.675138 0.581762 Al\n0.750000 0.824862 0.081762 Al\n0.750000 0.324862 0.418238 Al\n0.250000 0.298413 0.591732 Au\n0.250000 0.798413 0.908268 Au\n0.750000 0.701586 0.408268 Au\n0.750000 0.201586 0.091732 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Au"
],
"chemical_system": "Al-Au-Nd",
"density": 9.112047293580167,
"density_atomic": 0.044711167111769604,
"volume": 268.3893258702514,
"volume_molar": 13.468985823934698,
"formula_full": "Nd4 Al4 Au4",
"formula_reduced": "NdAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8430939566666668,
"spacegroup": 62
},
{
"id": "jvasp-119667",
"created_at": "2022-09-04T14:38:44.599919Z",
"updated_at": "2022-09-04T14:38:44.599951Z",
"structure_string": "Ag6 P2 O8\n1.0\n6.058741 0.031693 0.042395\n0.042321 6.058676 0.042395\n0.031749 0.031693 6.058807\nAg P O\n6 2 8\ndirect\n0.191117 0.003113 0.496481 Ag\n0.003113 0.496480 0.191118 Ag\n0.496480 0.191117 0.003114 Ag\n0.503113 0.691117 -0.003519 Ag\n0.691117 -0.003521 0.503114 Ag\n-0.003520 0.503113 0.691118 Ag\n0.500985 0.500985 0.500986 P\n0.000985 0.000985 0.000985 P\n0.150960 0.150960 0.150960 O\n0.155000 0.871786 0.839561 O\n0.839559 0.154999 0.871787 O\n0.871786 0.839559 0.155001 O\n0.371786 0.655000 0.339560 O\n0.654999 0.339559 0.371787 O\n0.650960 0.650960 0.650961 O\n0.339559 0.371786 0.655001 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 6.251059610384801,
"density_atomic": 0.07194825179358437,
"volume": 222.38205378364344,
"volume_molar": 8.370100189893696,
"formula_full": "Ag6 P2 O8",
"formula_reduced": "Ag3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.57287141,
"spacegroup": 161
},
{
"id": "jvasp-112091",
"created_at": "2022-09-04T14:38:44.595195Z",
"updated_at": "2022-09-04T14:38:44.595223Z",
"structure_string": "H16 C22 S2 O2\n1.0\n4.131912 -0.111345 -0.538587\n-2.685980 8.366285 -1.823679\n-0.005328 -0.314108 11.808749\nH C S O\n16 22 2 2\ndirect\n0.818043 0.889858 0.007918 H\n0.436688 0.657987 0.396482 H\n0.936946 0.658061 0.896510 H\n0.922252 0.732541 0.324525 H\n0.530955 0.491761 0.710532 H\n0.030716 0.491691 0.210509 H\n0.461098 0.080852 0.708450 H\n-0.039076 0.080825 0.208425 H\n0.422528 0.732626 0.824542 H\n-0.001890 0.469896 0.798907 H\n0.624383 0.216154 0.199832 H\n0.124646 0.216234 0.699845 H\n0.016989 0.960764 0.669999 H\n0.516851 0.960694 0.170022 H\n0.317821 0.889797 0.507884 H\n0.497852 0.469822 0.298886 H\n0.487830 0.579440 0.665214 C\n0.856703 0.827459 0.174518 C\n0.356724 0.827471 0.674509 C\n0.991924 0.552540 0.043657 C\n0.933199 0.670218 0.989836 C\n0.866286 0.802735 0.053279 C\n0.366166 0.802703 0.553257 C\n0.433064 0.670181 0.489818 C\n0.987697 0.579400 0.165206 C\n0.491912 0.552538 0.543657 C\n0.423076 0.715595 0.730273 C\n0.050445 0.413762 0.968150 C\n0.268865 0.976388 0.722720 C\n0.768770 0.976358 0.222723 C\n0.672834 0.160784 0.371235 C\n0.172883 0.160798 0.871229 C\n0.550402 0.413747 0.468150 C\n0.547336 0.388424 0.348623 C\n0.047504 0.388477 0.848635 C\n0.616306 0.248053 0.293255 C\n0.116479 0.248105 0.793264 C\n0.922924 0.715546 0.230267 C\n0.139499 0.254025 0.014299 S\n0.639572 0.254043 0.514312 S\n0.250606 0.020626 0.847482 O\n0.750613 0.020619 0.347494 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5558060356936843,
"density_atomic": 0.1045203292667836,
"volume": 401.8357031080224,
"volume_molar": 5.761693253595429,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.507300642857143,
"spacegroup": 1
},
{
"id": "jvasp-115057",
"created_at": "2022-09-04T14:38:44.594273Z",
"updated_at": "2022-09-04T14:38:44.594304Z",
"structure_string": "Zn1 Ge1 S2\n1.0\n3.717224 0.000000 0.000000\n-1.858612 3.219211 0.000000\n-0.000000 0.000000 6.289737\nZn Ge S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666667 0.728501 S\n0.666666 0.333334 0.271499 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"S"
],
"chemical_system": "Ge-S-Zn",
"density": 4.460509615761823,
"density_atomic": 0.05314462288711307,
"volume": 75.26631637779391,
"volume_molar": 11.331608792844209,
"formula_full": "Zn1 Ge1 S2",
"formula_reduced": "ZnGeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6487515875000001,
"spacegroup": 164
},
{
"id": "jvasp-116628",
"created_at": "2022-09-04T14:38:44.590229Z",
"updated_at": "2022-09-04T14:38:44.590265Z",
"structure_string": "Ba2 Yb2 Al6 Si2 N8 O6\n1.0\n6.155226 -0.000000 0.000000\n-3.077613 5.330582 0.000000\n-0.000000 -0.000000 10.165202\nYb Ba Al Si N O\n2 2 6 2 8 6\ndirect\n0.666667 0.333333 0.925364 Yb\n0.333334 0.666666 0.425364 Yb\n0.666667 0.333333 0.551390 Ba\n0.333334 0.666666 0.051391 Ba\n0.165792 0.331584 0.741214 Al\n0.165793 0.834208 0.741214 Al\n0.834209 0.668415 0.241214 Al\n0.668416 0.834208 0.741214 Al\n0.834208 0.165792 0.241214 Al\n0.331585 0.165792 0.241214 Al\n0.000000 0.000000 0.000661 Si\n0.000000 0.000000 0.500661 Si\n0.000000 0.000000 0.321757 N\n0.000000 0.000000 0.821757 N\n0.301658 0.150829 0.060519 N\n0.849172 0.150829 0.060519 N\n0.150829 0.301657 0.560519 N\n0.849172 0.698342 0.060519 N\n0.150829 0.849171 0.560519 N\n0.698343 0.849171 0.560519 N\n0.512222 0.487779 0.292978 O\n0.487779 0.975557 0.792978 O\n0.487779 0.512221 0.792978 O\n0.512222 0.024442 0.292978 O\n0.024443 0.512221 0.792978 O\n0.975558 0.487779 0.292978 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Yb",
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si-Yb",
"density": 5.21190530738462,
"density_atomic": 0.07795405350279665,
"volume": 333.52980161663095,
"volume_molar": 7.725243896116259,
"formula_full": "Ba2 Yb2 Al6 Si2 N8 O6",
"formula_reduced": "BaYbAl3SiN4O3",
"formula_anonymous": "ABCD3E3F4",
"energy_above_hull": 3.143346705384616,
"spacegroup": 186
},
{
"id": "jvasp-113234",
"created_at": "2022-09-04T14:38:44.588230Z",
"updated_at": "2022-09-04T14:38:44.588258Z",
"structure_string": "Li4 Co3 Sn1 P4 O16\n1.0\n5.899093 -0.000000 0.000000\n0.000000 4.750231 0.227287\n0.000000 0.270751 10.942796\nLi Co Sn P O\n4 3 1 4 16\ndirect\n0.250797 0.030480 0.014736 Li\n0.749203 0.030480 0.014736 Li\n0.759572 0.456582 0.480508 Li\n0.240427 0.456582 0.480508 Li\n-0.000000 0.002057 0.272807 Co\n-0.000000 0.540218 0.805797 Co\n0.500000 0.517977 0.218711 Co\n0.500000 0.024732 0.714988 Sn\n-0.000000 0.872702 0.578906 P\n-0.000000 0.593425 0.100064 P\n0.500000 0.464355 0.931849 P\n0.500000 0.051631 0.384470 P\n0.794355 0.734198 0.654595 O\n0.500000 0.729396 0.390002 O\n0.500000 0.785803 0.933706 O\n0.206668 0.718409 0.170114 O\n0.793331 0.718409 0.170114 O\n-0.000000 0.748314 0.969758 O\n0.500000 0.305846 0.061330 O\n0.290218 0.192621 0.315942 O\n0.285613 0.351525 0.865558 O\n-0.000000 0.271846 0.101083 O\n-0.000000 0.193510 0.572496 O\n0.709781 0.192621 0.315942 O\n0.205644 0.734198 0.654595 O\n0.500000 0.176887 0.511250 O\n0.714386 0.351525 0.865558 O\n-0.000000 0.753664 0.449888 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Co",
"Sn",
"P",
"O"
],
"chemical_system": "Co-Li-O-P-Sn",
"density": 3.8123154765632785,
"density_atomic": 0.09142062916812226,
"volume": 306.27660578126284,
"volume_molar": 6.5872886839635525,
"formula_full": "Li4 Co3 Sn1 P4 O16",
"formula_reduced": "Li4Co3Sn(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.840066157142857,
"spacegroup": 6
},
{
"id": "jvasp-119214",
"created_at": "2022-09-04T14:38:44.585538Z",
"updated_at": "2022-09-04T14:38:44.585572Z",
"structure_string": "Ba2 Y1 Cu3 O6\n1.0\n3.795606 -0.000000 0.000000\n0.000000 3.795606 0.000000\n-0.000000 -0.000000 13.354258\nBa Y Cu O\n2 1 3 6\ndirect\n0.000000 0.000000 0.653890 Ba\n0.000000 0.000000 0.346110 Ba\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.847248 Cu\n0.500001 0.500001 0.152752 Cu\n0.500001 0.500001 0.500000 Cu\n0.500001 0.500001 0.709880 O\n0.500001 0.500001 0.290121 O\n-0.000000 0.500001 0.500464 O\n0.500001 0.000000 0.499536 O\n-0.000000 0.500001 0.920067 O\n0.500001 0.000000 0.079934 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.611903708079818,
"density_atomic": 0.06237337363097567,
"volume": 192.3897859204556,
"volume_molar": 9.65498642999375,
"formula_full": "Ba2 Y1 Cu3 O6",
"formula_reduced": "Ba2Y(CuO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.4294941449999998,
"spacegroup": 115
},
{
"id": "jvasp-115279",
"created_at": "2022-09-04T14:38:44.580710Z",
"updated_at": "2022-09-04T14:38:44.580743Z",
"structure_string": "B1 As1 O4\n1.0\n-2.290744 2.683615 2.892568\n2.290744 -2.683615 2.892568\n2.290744 2.683615 -2.892568\nB As O\n1 1 4\ndirect\n-0.000000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.707045 0.573113 0.558478 O\n0.292955 0.851433 0.866067 O\n0.985366 0.426888 0.133932 O\n0.014634 0.148566 0.441521 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"As",
"O"
],
"chemical_system": "As-B-O",
"density": 3.495571300719888,
"density_atomic": 0.08435501622315139,
"volume": 71.1279573952982,
"volume_molar": 7.139042856762812,
"formula_full": "B1 As1 O4",
"formula_reduced": "BAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7906697222222228,
"spacegroup": 23
},
{
"id": "jvasp-116708",
"created_at": "2022-09-04T14:38:44.580310Z",
"updated_at": "2022-09-04T14:38:44.580336Z",
"structure_string": "Cr8 Se12\n1.0\n6.646715 -0.002251 -1.639681\n-1.951096 7.034475 -0.076447\n0.043847 0.001759 8.592873\nCr Se\n8 12\ndirect\n0.491556 0.239449 0.019632 Cr\n0.809337 0.563915 0.340714 Cr\n0.178489 0.906438 0.672826 Cr\n0.508445 0.760552 0.980368 Cr\n0.821512 0.093563 0.327174 Cr\n0.190664 0.436086 0.659285 Cr\n0.830674 0.326977 0.825299 Cr\n0.169326 0.673024 0.174701 Cr\n0.442873 0.231170 0.705888 Se\n0.225780 0.436815 0.970983 Se\n0.908655 0.107680 0.633160 Se\n0.557128 0.768831 0.294111 Se\n0.894358 0.596650 0.640554 Se\n0.105643 0.403350 0.359446 Se\n0.222752 0.927621 0.973549 Se\n0.455202 0.742257 0.686362 Se\n0.774221 0.563186 0.029016 Se\n0.777249 0.072380 0.026451 Se\n0.544799 0.257744 0.313638 Se\n0.091346 0.892321 0.366840 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.628736067544842,
"density_atomic": 0.04972104048285252,
"volume": 402.24419693907,
"volume_molar": 12.111855869301202,
"formula_full": "Cr8 Se12",
"formula_reduced": "Cr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8246509800000004,
"spacegroup": 2
},
{
"id": "jvasp-115457",
"created_at": "2022-09-04T14:38:44.578674Z",
"updated_at": "2022-09-04T14:38:44.578706Z",
"structure_string": "Mg1 Pd1 Au1\n1.0\n4.541129 1.432695 0.000000\n1.024670 4.650385 0.000000\n0.000000 0.000000 2.834522\nMg Pd Au\n1 1 1\ndirect\n-0.214694 0.089455 0.000000 Mg\n0.118495 0.422667 0.000000 Pd\n0.451994 -0.243865 0.000000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Pd",
"Au"
],
"chemical_system": "Au-Mg-Pd",
"density": 9.769512512926646,
"density_atomic": 0.053861666056251645,
"volume": 55.698239947997195,
"volume_molar": 11.180754701703139,
"formula_full": "Mg1 Pd1 Au1",
"formula_reduced": "MgPdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3405888783333332,
"spacegroup": 187
},
{
"id": "jvasp-112904",
"created_at": "2022-09-04T14:38:44.577805Z",
"updated_at": "2022-09-04T14:38:44.577835Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.6114300233089365,
"density_atomic": 0.1158615241105737,
"volume": 138.0958875073163,
"volume_molar": 5.197705455913651,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4708840176724136,
"spacegroup": 13
}
]
}