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=-nsites&page=1066",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1064",
"results": [
{
"id": "jvasp-48189",
"created_at": "2022-09-04T14:35:57.120589Z",
"updated_at": "2022-09-04T14:35:57.120610Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n2.944516 -2.916476 4.162650\n-2.929076 2.931981 4.162650\n-2.929130 -2.941720 4.202485\nLi Ti V O\n2 2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 V\n0.240634 0.759354 0.473055 O\n0.757491 0.775471 0.983528 O\n0.240645 0.759365 0.026946 O\n0.224527 0.242508 0.516473 O\n0.775472 0.757491 0.483528 O\n0.759354 0.240633 0.973055 O\n0.242508 0.224527 0.016473 O\n0.759366 0.240645 0.526946 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.925374072462174,
"density_atomic": 0.09748271779449305,
"volume": 143.61519987074962,
"volume_molar": 6.177649634979915,
"formula_full": "Li2 Ti2 V2 O8",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6300209333333333,
"spacegroup": 74
},
{
"id": "jvasp-89035",
"created_at": "2022-09-04T14:35:48.882937Z",
"updated_at": "2022-09-04T14:35:48.882963Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n6.178258 -0.034325 0.134059\n2.816364 5.499103 0.134059\n0.049462 0.030050 8.029988\nTl Mo O\n4 2 8\ndirect\n0.675704 0.654272 0.176423 Tl\n0.345728 0.324296 0.823578 Tl\n0.048593 0.951406 0.500000 Tl\n-0.002761 0.002761 0.000000 Tl\n0.358676 0.313855 0.307734 Mo\n0.686144 0.641324 0.692267 Mo\n0.218452 0.598938 0.199372 O\n0.401061 0.781548 0.800629 O\n0.296255 0.097859 0.201847 O\n0.902140 0.703745 0.798153 O\n0.676510 0.225175 0.299965 O\n0.774825 0.323490 0.700035 O\n0.649191 0.759922 0.484914 O\n0.240078 0.350808 0.515086 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 6.904599692722028,
"density_atomic": 0.05118008602499487,
"volume": 273.5438934815937,
"volume_molar": 11.766570218461458,
"formula_full": "Tl4 Mo2 O8",
"formula_reduced": "Tl2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0949535857142854,
"spacegroup": 5
},
{
"id": "jvasp-87932",
"created_at": "2022-09-04T14:36:05.465962Z",
"updated_at": "2022-09-04T14:36:05.465973Z",
"structure_string": "Sm3 Co6 Sn5\n1.0\n4.180057 0.000000 1.141576\n1.595691 7.661528 2.380876\n0.011925 0.002835 8.180078\nSm Co Sn\n3 6 5\ndirect\n0.682809 0.317192 0.317192 Sm\n0.317193 0.682809 0.682808 Sm\n0.000000 0.000000 0.000000 Sm\n0.893419 0.380360 0.832807 Co\n0.106582 0.619641 0.167194 Co\n0.893419 0.832807 0.380360 Co\n0.500000 0.697186 0.302815 Co\n0.500001 0.302815 0.697186 Co\n0.106583 0.167194 0.619641 Co\n0.675805 0.984173 0.664219 Sn\n0.324196 0.335782 0.015827 Sn\n0.675805 0.664219 0.984173 Sn\n0.000000 0.500000 0.500000 Sn\n0.324197 0.015827 0.335782 Sn\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Sn"
],
"chemical_system": "Co-Sm-Sn",
"density": 8.867140351644125,
"density_atomic": 0.05346679635972878,
"volume": 261.84475138190265,
"volume_molar": 11.263328214921588,
"formula_full": "Sm3 Co6 Sn5",
"formula_reduced": "Sm3Co6Sn5",
"formula_anonymous": "A3B5C6",
"energy_above_hull": 2.3046850375,
"spacegroup": 71
},
{
"id": "jvasp-42824",
"created_at": "2022-09-04T14:35:56.668018Z",
"updated_at": "2022-09-04T14:35:56.668048Z",
"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.1039792645185535,
"density_atomic": 0.09957382079163256,
"volume": 140.59920457703734,
"volume_molar": 6.0479157193353945,
"formula_full": "Li2 Ti2 Mn2 O8",
"formula_reduced": "LiTiMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6360799392446634,
"spacegroup": 74
},
{
"id": "jvasp-53440",
"created_at": "2022-09-04T14:35:55.112310Z",
"updated_at": "2022-09-04T14:35:55.112333Z",
"structure_string": "Li4 Mn2 Cl8\n1.0\n6.381419 -0.048701 3.658647\n2.081224 6.032694 3.658647\n-0.000000 -0.000000 7.317294\nLi Mn Cl\n4 2 8\ndirect\n0.110731 0.110731 0.139269 Li\n0.500000 0.500000 0.000001 Li\n0.500000 0.500000 0.500000 Li\n0.889269 0.889269 0.860731 Li\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.251677 0.251676 0.257869 Cl\n0.251677 0.251676 0.738778 Cl\n0.254962 0.724793 0.260123 Cl\n0.724793 0.254962 0.260123 Cl\n0.275207 0.745037 0.739878 Cl\n0.745038 0.275207 0.739877 Cl\n0.748323 0.748323 0.261222 Cl\n0.748323 0.748323 0.742132 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Cl"
],
"chemical_system": "Cl-Li-Mn",
"density": 2.476752098870638,
"density_atomic": 0.04956864393794017,
"volume": 282.4366149198668,
"volume_molar": 12.149093220181102,
"formula_full": "Li4 Mn2 Cl8",
"formula_reduced": "Li2MnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7570019301970441,
"spacegroup": 74
},
{
"id": "jvasp-45913",
"created_at": "2022-09-04T14:35:55.108448Z",
"updated_at": "2022-09-04T14:35:55.108477Z",
"structure_string": "Li1 V3 Zn2 O8\n1.0\n-4.199974 4.199974 0.054335\n4.145640 0.000000 4.145640\n4.145640 4.145640 0.000000\nLi V Zn O\n1 3 2 8\ndirect\n0.125000 0.750000 0.625000 Li\n0.625000 0.250001 0.125000 V\n0.625000 0.250001 0.625000 V\n0.625000 0.750001 0.625000 V\n0.991040 0.994029 0.002986 Zn\n0.258959 0.505973 0.247013 Zn\n0.852414 0.234944 0.382528 O\n0.405938 0.245291 0.377354 O\n0.844061 0.254711 0.872645 O\n0.844061 0.716708 0.410647 O\n0.844061 0.716708 0.872645 O\n0.397585 0.265058 0.867472 O\n0.405938 0.783293 0.377354 O\n0.405938 0.783293 0.839352 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Zn",
"O"
],
"chemical_system": "Li-O-V-Zn",
"density": 4.783725696887272,
"density_atomic": 0.09635363031940151,
"volume": 145.29810608683414,
"volume_molar": 6.2500403358309145,
"formula_full": "Li1 V3 Zn2 O8",
"formula_reduced": "LiV3Zn2O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.477893671428572,
"spacegroup": 166
},
{
"id": "jvasp-42911",
"created_at": "2022-09-04T14:35:54.899527Z",
"updated_at": "2022-09-04T14:35:54.899555Z",
"structure_string": "Li2 Mn2 Sb2 O8\n1.0\n6.120307 -0.000000 -0.000000\n3.060154 5.478019 0.041145\n3.060154 1.864797 5.151011\nLi Mn Sb O\n2 2 2 8\ndirect\n0.147681 0.102319 0.102319 Li\n0.852318 0.897682 0.897680 Li\n-0.000001 0.500001 0.499999 Mn\n0.500000 0.500001 0.499999 Mn\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.275973 0.248777 0.248777 O\n0.277262 0.242510 0.702965 O\n0.277262 0.702966 0.242509 O\n0.726471 0.248777 0.248777 O\n0.273528 0.751223 0.751221 O\n0.722737 0.757491 0.297034 O\n0.722737 0.297035 0.757490 O\n0.724026 0.751223 0.751221 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.775153146315717,
"density_atomic": 0.08128704491746554,
"volume": 172.22916658140105,
"volume_molar": 7.408487743790607,
"formula_full": "Li2 Mn2 Sb2 O8",
"formula_reduced": "LiMnSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.3986867630541875,
"spacegroup": 74
},
{
"id": "jvasp-98295",
"created_at": "2022-09-04T14:35:54.883283Z",
"updated_at": "2022-09-04T14:35:54.883302Z",
"structure_string": "As2 C6 N6\n1.0\n5.626485 -0.046014 0.978853\n1.425064 5.443219 0.978853\n0.215476 0.164924 8.279657\nAs C N\n2 6 6\ndirect\n0.450404 0.139066 0.732517 As\n0.860932 0.549597 0.267482 As\n0.919682 0.883547 0.250133 C\n0.474470 0.950447 -0.038856 C\n0.049553 0.525529 0.038855 C\n0.116454 0.080317 0.749867 C\n0.180769 0.408042 0.353916 C\n0.591958 0.819231 0.646083 C\n0.156504 0.489691 0.908146 N\n-0.082886 0.064053 0.753211 N\n0.510308 0.843497 0.091854 N\n0.355875 0.307974 0.414352 N\n0.935946 0.082887 0.246789 N\n0.692025 0.644125 0.585648 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"As",
"C",
"N"
],
"chemical_system": "As-C-N",
"density": 2.0137762812310203,
"density_atomic": 0.05549362675333572,
"volume": 252.28122253081,
"volume_molar": 10.851950237038723,
"formula_full": "As2 C6 N6",
"formula_reduced": "As(CN)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.9387202142857145,
"spacegroup": 5
},
{
"id": "jvasp-85853",
"created_at": "2022-09-04T14:35:54.843930Z",
"updated_at": "2022-09-04T14:35:54.843958Z",
"structure_string": "Ho6 Ge8\n1.0\n4.048177 0.000000 0.000000\n-2.024089 5.307518 0.000000\n0.000000 -0.000000 14.248811\nHo Ge\n6 8\ndirect\n0.950660 0.901321 0.250000 Ho\n0.049340 0.098680 0.750000 Ho\n0.331851 0.663703 0.596580 Ho\n0.668149 0.336298 0.403420 Ho\n0.668149 0.336298 0.096580 Ho\n0.331851 0.663703 0.903420 Ho\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.220442 0.440884 0.250000 Ge\n0.779558 0.559116 0.750000 Ge\n0.378230 0.756459 0.390917 Ge\n0.621771 0.243542 0.609082 Ge\n0.378230 0.756459 0.109082 Ge\n0.621771 0.243542 0.890917 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ho",
"Ge"
],
"chemical_system": "Ge-Ho",
"density": 8.51948372051572,
"density_atomic": 0.04572970933866686,
"volume": 306.1467086160171,
"volume_molar": 13.168989803545427,
"formula_full": "Ho6 Ge8",
"formula_reduced": "Ho3Ge4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.093917214285714,
"spacegroup": 63
},
{
"id": "jvasp-52548",
"created_at": "2022-09-04T14:35:54.640681Z",
"updated_at": "2022-09-04T14:35:54.640708Z",
"structure_string": "Ba2 Tm4 O8\n1.0\n3.393052 0.000000 0.000000\n-1.696526 5.579194 -0.000000\n0.000000 0.000000 11.365577\nBa Tm O\n2 4 8\ndirect\n0.113013 0.226026 0.250000 Ba\n0.886985 0.773973 0.750000 Ba\n0.365525 0.731054 0.429857 Tm\n0.365525 0.731054 0.070143 Tm\n0.634473 0.268946 0.570143 Tm\n0.634473 0.268946 0.929857 Tm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.433171 0.866345 0.250000 O\n0.260088 0.520179 0.600776 O\n0.260088 0.520179 0.899225 O\n0.566827 0.133654 0.750000 O\n0.739910 0.479820 0.399224 O\n0.739910 0.479820 0.100776 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Tm",
"O"
],
"chemical_system": "Ba-O-Tm",
"density": 8.322808223477741,
"density_atomic": 0.06506906536051318,
"volume": 215.1560026632229,
"volume_molar": 9.254998095691878,
"formula_full": "Ba2 Tm4 O8",
"formula_reduced": "BaTm2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4610069242857138,
"spacegroup": 63
},
{
"id": "jvasp-48466",
"created_at": "2022-09-04T14:35:54.581189Z",
"updated_at": "2022-09-04T14:35:54.581209Z",
"structure_string": "Li1 Co5 O7 F1\n1.0\n-0.019108 4.028383 4.028383\n4.028383 -0.019108 4.028383\n4.028383 4.028383 -0.019108\nLi Co O F\n1 5 7 1\ndirect\n0.008629 0.008629 0.008629 Li\n0.245080 0.245080 0.245080 Co\n0.619331 0.619331 0.125579 Co\n0.619331 0.125579 0.619331 Co\n0.125579 0.619331 0.619331 Co\n0.625660 0.625660 0.625660 Co\n0.835904 0.387246 0.387246 O\n0.384470 0.384470 0.384470 O\n0.387246 0.835904 0.387246 O\n0.387246 0.387246 0.835904 O\n0.860601 0.860601 0.417319 O\n0.860601 0.417319 0.860601 O\n0.417319 0.860601 0.860601 O\n0.873000 0.873000 0.873000 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 5.455511665688896,
"density_atomic": 0.1063228792933876,
"volume": 131.67438742293996,
"volume_molar": 5.664012111055129,
"formula_full": "Li1 Co5 O7 F1",
"formula_reduced": "LiCo5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 2.8883513773214284,
"spacegroup": 160
},
{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"S"
],
"chemical_system": "Pb-Pr-S",
"density": 6.153901004651233,
"density_atomic": 0.04202624122518026,
"volume": 333.1251996814747,
"volume_molar": 14.329477451321058,
"formula_full": "Pr4 Pb2 S8",
"formula_reduced": "Pr2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5754986457142857,
"spacegroup": 122
}
]
}