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=-spacegroup&page=4199",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4197",
"results": [
{
"id": "jvasp-11574",
"created_at": "2022-09-04T14:37:17.530259Z",
"updated_at": "2022-09-04T14:37:17.530279Z",
"structure_string": "Mo3 O8\n1.0\n4.451125 -0.433596 -2.195134\n-0.889917 5.289102 -2.849240\n-0.771638 -0.057502 6.606999\nMo O\n3 8\ndirect\n0.499999 0.999998 -0.000001 Mo\n0.999997 0.708932 -0.000001 Mo\n0.999997 0.291066 -0.000000 Mo\n-0.027523 0.370856 0.741712 O\n0.027522 0.629143 0.258288 O\n0.020727 0.890873 0.781746 O\n0.979271 0.109125 0.218252 O\n0.465341 0.334136 0.211483 O\n0.465340 0.877346 0.211483 O\n0.534658 0.122652 0.788517 O\n0.534658 0.665863 0.788516 O\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.854252898387483,
"density_atomic": 0.07733313662827301,
"volume": 142.24174111642586,
"volume_molar": 7.787270790459964,
"formula_full": "Mo3 O8",
"formula_reduced": "Mo3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.926607790909091,
"spacegroup": 12
},
{
"id": "jvasp-81135",
"created_at": "2022-09-04T14:37:18.466152Z",
"updated_at": "2022-09-04T14:37:18.466168Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-8.885894 3.071557 -7.638188\n-5.011048 0.259391 -0.774952\n-5.220055 4.714578 -4.533267\nLi In Pb\n2 1 1\ndirect\n0.750396 0.000357 -0.000358 Li\n0.249604 -0.000359 0.000359 Li\n0.000000 0.000000 0.000000 In\n0.500000 -0.000001 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pb"
],
"chemical_system": "In-Li-Pb",
"density": 6.146703118484822,
"density_atomic": 0.04408015647780722,
"volume": 90.74377950572514,
"volume_molar": 13.661795331947001,
"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2341501974999999,
"spacegroup": 12
},
{
"id": "jvasp-80789",
"created_at": "2022-09-04T14:37:17.577795Z",
"updated_at": "2022-09-04T14:37:17.577813Z",
"structure_string": "Hg1 Bi1 Pb2\n1.0\n-12.232174 -4.249740 -3.592350\n-8.292517 -3.730098 0.658188\n-5.325449 1.440164 -1.850276\nHg Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000000 -0.000000 Bi\n0.750838 0.015673 -0.015674 Pb\n0.249163 -0.015674 0.015674 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"Pb"
],
"chemical_system": "Bi-Hg-Pb",
"density": 11.257900991341234,
"density_atomic": 0.032912184445183734,
"volume": 121.53553668435848,
"volume_molar": 18.297602731383762,
"formula_full": "Hg1 Bi1 Pb2",
"formula_reduced": "HgBiPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-9718",
"created_at": "2022-09-04T14:37:17.580904Z",
"updated_at": "2022-09-04T14:37:17.580936Z",
"structure_string": "Ag2 P2 S6\n1.0\n5.831879 -0.039061 -3.138356\n-3.663942 5.492320 -0.521134\n0.087297 0.045181 6.654089\nAg P S\n2 2 6\ndirect\n0.721431 0.721431 0.000000 Ag\n0.278569 0.278569 0.000000 Ag\n0.063642 0.343810 0.407452 P\n0.936359 0.656190 0.592549 P\n0.649979 0.711401 0.361380 S\n0.350022 0.288599 0.638620 S\n0.772976 0.272976 0.500000 S\n0.227025 0.727024 0.500001 S\n0.130911 0.821227 0.952139 S\n0.869090 0.178773 0.047861 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 3.6416788228753596,
"density_atomic": 0.046653731172812955,
"volume": 214.3451284305297,
"volume_molar": 12.908165346289278,
"formula_full": "Ag2 P2 S6",
"formula_reduced": "AgPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.750292552,
"spacegroup": 12
},
{
"id": "jvasp-11355",
"created_at": "2022-09-04T14:37:17.606674Z",
"updated_at": "2022-09-04T14:37:17.606699Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.418879 0.194172 0.036682\n1.203731 8.143028 -0.051920\n1.611666 0.275752 9.147775\nZn Sn O\n4 4 8\ndirect\n0.582670 0.017532 0.318780 Zn\n0.413357 0.962386 0.709422 Zn\n0.307280 0.774815 0.099731 Zn\n0.688771 0.205097 0.928470 Zn\n0.817749 0.293752 0.574943 Sn\n-0.017419 0.361073 0.183238 Sn\n0.013465 0.618845 0.844963 Sn\n0.178271 0.686168 0.453259 Sn\n0.574065 0.811735 0.539046 O\n0.114927 0.337259 0.948880 O\n0.881121 0.642656 0.079319 O\n0.421958 0.168184 0.489156 O\n0.835066 0.091520 0.740491 O\n0.589256 0.182554 0.149048 O\n0.160965 0.888397 0.287710 O\n0.406788 0.797360 0.879152 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.694129916258895,
"density_atomic": 0.06346696454116832,
"volume": 252.09965713141173,
"volume_molar": 9.48862262995687,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5603022749999998,
"spacegroup": 12
},
{
"id": "jvasp-80626",
"created_at": "2022-09-04T14:37:17.613190Z",
"updated_at": "2022-09-04T14:37:17.613201Z",
"structure_string": "Y2 Mg1 Cd1\n1.0\n-9.170305 -2.362564 -9.082061\n-3.861285 -1.469378 -8.071377\n-4.865810 -4.317930 -6.314672\nY Mg Cd\n2 1 1\ndirect\n0.762409 0.991965 0.991969 Y\n0.237594 0.008033 0.008029 Y\n0.000000 -0.000000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Y",
"density": 4.628454532585927,
"density_atomic": 0.03544769469413962,
"volume": 112.84231695499507,
"volume_molar": 16.98880790968787,
"formula_full": "Y2 Mg1 Cd1",
"formula_reduced": "Y2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.005854425,
"spacegroup": 12
},
{
"id": "jvasp-57549",
"created_at": "2022-09-04T14:37:17.722838Z",
"updated_at": "2022-09-04T14:37:17.722865Z",
"structure_string": "Co2 P2 O7\n1.0\n4.549880 0.018894 0.013687\n-0.746690 5.196176 0.044077\n-0.733885 -1.370617 5.022843\nCo P O\n2 2 7\ndirect\n0.499631 0.317229 0.683242 Co\n0.500368 0.682771 0.316758 Co\n0.095620 0.782478 0.782545 P\n0.904379 0.217521 0.217456 P\n0.720024 0.071481 0.380727 O\n0.279934 0.618690 0.928014 O\n0.208142 0.378203 0.377952 O\n0.000000 0.000000 0.000000 O\n0.279974 0.928518 0.619273 O\n0.791856 0.621796 0.622048 O\n0.720064 0.381310 0.071986 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.066434159930201,
"density_atomic": 0.0923118782876373,
"volume": 119.16126292788427,
"volume_molar": 6.523689986282626,
"formula_full": "Co2 P2 O7",
"formula_reduced": "Co2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.076853390909091,
"spacegroup": 12
},
{
"id": "jvasp-9525",
"created_at": "2022-09-04T14:37:17.904700Z",
"updated_at": "2022-09-04T14:37:17.904710Z",
"structure_string": "Zn2 Ni3 O8\n1.0\n4.741780 0.174455 -1.157179\n-0.829846 4.932083 -2.656914\n0.202776 -0.193305 5.613646\nZn Ni O\n2 3 8\ndirect\n0.613583 0.707048 0.414096 Zn\n0.386416 0.292954 0.585906 Zn\n0.499999 0.999999 0.000000 Ni\n0.999999 0.748751 0.000000 Ni\n0.999999 0.251251 0.000000 Ni\n0.078306 0.390412 0.780824 O\n0.921694 0.609588 0.219178 O\n0.120544 0.898959 0.797918 O\n0.879457 0.101041 0.202082 O\n0.370529 0.339379 0.227115 O\n0.370528 0.887736 0.227115 O\n0.629473 0.112265 0.772887 O\n0.629473 0.660622 0.772887 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 5.532055355403317,
"density_atomic": 0.0995859235160215,
"volume": 130.54053766854454,
"volume_molar": 6.047180713277365,
"formula_full": "Zn2 Ni3 O8",
"formula_reduced": "Zn2Ni3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.7348196923076922,
"spacegroup": 12
},
{
"id": "jvasp-82046",
"created_at": "2022-09-04T14:37:18.597699Z",
"updated_at": "2022-09-04T14:37:18.597727Z",
"structure_string": "Al2 Pd1 Pt1\n1.0\n-10.037030 1.973237 -2.572598\n-7.218361 1.170158 0.674320\n-6.372260 3.563295 -0.791172\nAl Pd Pt\n2 1 1\ndirect\n0.757173 0.994208 0.994208 Al\n0.242827 0.005792 0.005792 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000001 0.000001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Pd",
"Pt"
],
"chemical_system": "Al-Pd-Pt",
"density": 9.73255316723402,
"density_atomic": 0.06595356803133129,
"volume": 60.64872787625071,
"volume_molar": 9.13087940464294,
"formula_full": "Al2 Pd1 Pt1",
"formula_reduced": "Al2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7208656750000002,
"spacegroup": 12
},
{
"id": "jvasp-81525",
"created_at": "2022-09-04T14:37:18.038197Z",
"updated_at": "2022-09-04T14:37:18.038208Z",
"structure_string": "Ca2 Pb1 Au1\n1.0\n-7.688306 -2.737684 -8.909520\n-3.036340 -2.433862 -8.223481\n-3.756859 -4.471821 -6.975481\nCa Pb Au\n2 1 1\ndirect\n0.746005 0.010212 0.010190 Ca\n0.253996 -0.010212 -0.010191 Ca\n0.500001 -0.000000 -0.000001 Pb\n-0.000000 -0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Au"
],
"chemical_system": "Au-Ca-Pb",
"density": 9.340789578184769,
"density_atomic": 0.04645792145094857,
"volume": 86.09941803408704,
"volume_molar": 12.962570368883865,
"formula_full": "Ca2 Pb1 Au1",
"formula_reduced": "Ca2PbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4874449999999999,
"spacegroup": 12
},
{
"id": "jvasp-79645",
"created_at": "2022-09-04T14:37:17.873303Z",
"updated_at": "2022-09-04T14:37:17.873324Z",
"structure_string": "Pb2 S2\n1.0\n2.997403 2.979813 -0.215010\n2.997403 -2.979813 -0.215010\n0.854697 0.000000 -6.243965\nPb S\n2 2\ndirect\n0.212585 0.212585 0.234058 Pb\n0.787414 0.787414 0.765943 Pb\n0.691181 0.691181 0.212805 S\n0.308818 0.308818 0.787195 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.194805446105705,
"density_atomic": 0.036217692643919025,
"volume": 110.44325874999116,
"volume_molar": 16.62762125463871,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4327854099999999,
"spacegroup": 12
},
{
"id": "jvasp-10307",
"created_at": "2022-09-04T14:37:18.000769Z",
"updated_at": "2022-09-04T14:37:18.000790Z",
"structure_string": "Ca2 Co4 O8\n1.0\n2.908437 0.000611 0.000918\n1.452730 6.848333 0.427710\n1.451485 2.139033 7.774903\nCa Co O\n2 4 8\ndirect\n0.613977 0.908783 0.855341 Ca\n0.383695 0.058152 0.166547 Ca\n0.419849 0.369885 0.782513 Co\n0.836930 0.787017 0.531214 Co\n0.160744 0.179919 0.490668 Co\n0.577824 0.597055 0.239371 Co\n0.130165 0.423884 0.307859 O\n0.571465 0.228018 0.621123 O\n0.426209 0.738918 0.400762 O\n0.867508 0.543050 0.714026 O\n0.940963 0.189117 -0.078943 O\n0.229828 0.886208 0.646220 O\n0.056707 0.777821 0.100832 O\n0.767846 0.080724 0.375667 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.843314820544496,
"density_atomic": 0.09199244596786232,
"volume": 152.18640892417315,
"volume_molar": 6.546342687859221,
"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3295608885714283,
"spacegroup": 12
}
]
}