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=formula_anonymous&page=990",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=988",
"results": [
{
"id": "jvasp-10666",
"created_at": "2022-09-04T14:37:18.569778Z",
"updated_at": "2022-09-04T14:37:18.569800Z",
"structure_string": "Ca2 B4 C4\n1.0\n4.615687 0.005564 -2.574621\n-3.025241 4.331594 -0.135946\n0.003886 -0.005564 5.285189\nCa B C\n2 4 4\ndirect\n0.000001 0.750000 0.750000 Ca\n0.000000 0.250000 0.250000 Ca\n0.221870 0.360935 0.860936 B\n0.500001 0.860934 0.639065 B\n0.500001 0.139065 0.360935 B\n0.778131 0.639064 0.139065 B\n0.500001 0.659412 0.840588 C\n0.818825 0.159412 0.659413 C\n0.500000 0.340587 0.159412 C\n0.181177 0.840587 0.340587 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.691984774014536,
"density_atomic": 0.09455930046928002,
"volume": 105.75374342208414,
"volume_molar": 6.368639287847148,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.294463117333335,
"spacegroup": 140
},
{
"id": "jvasp-5125",
"created_at": "2022-09-04T14:37:18.701004Z",
"updated_at": "2022-09-04T14:37:18.701028Z",
"structure_string": "Ba1 Mn2 Ge2\n1.0\n3.823258 0.000000 -1.442411\n-0.544182 3.784331 -1.442411\n0.453074 0.522885 6.989091\nBa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250001 0.500000 Mn\n0.647633 0.647633 0.295266 Ge\n0.352367 0.352368 0.704735 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Ge"
],
"chemical_system": "Ba-Ge-Mn",
"density": 6.097315325940635,
"density_atomic": 0.046777672846502825,
"volume": 106.88860081618635,
"volume_molar": 12.873963995090502,
"formula_full": "Ba1 Mn2 Ge2",
"formula_reduced": "Ba(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.042944470551724,
"spacegroup": 139
},
{
"id": "jvasp-50865",
"created_at": "2022-09-04T14:37:18.862100Z",
"updated_at": "2022-09-04T14:37:18.862126Z",
"structure_string": "Li2 Fe1 S2\n1.0\n-3.868844 -0.000360 0.001190\n1.934136 3.351185 -0.020875\n-0.001931 -0.038724 -6.165148\nLi Fe S\n2 1 2\ndirect\n0.666668 0.333337 0.652839 Li\n0.000030 0.000058 0.968372 Li\n0.333315 0.666636 0.374058 Fe\n0.666601 0.333211 0.251762 S\n0.333379 0.666760 0.752971 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Fe",
"S"
],
"chemical_system": "Fe-Li-S",
"density": 2.7808260952478414,
"density_atomic": 0.06255379315407827,
"volume": 79.9312039748627,
"volume_molar": 9.627139229057894,
"formula_full": "Li2 Fe1 S2",
"formula_reduced": "Li2FeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6479730999999995,
"spacegroup": 156
},
{
"id": "jvasp-17754",
"created_at": "2022-09-04T14:37:29.480640Z",
"updated_at": "2022-09-04T14:37:29.480661Z",
"structure_string": "Ba1 Co2 As2\n1.0\n3.792896 0.000000 -1.130968\n-0.337233 3.777875 -1.130968\n0.002782 0.003042 6.934881\nBa Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.500000 Co\n0.750001 0.249999 0.500000 Co\n0.652261 0.652259 0.304521 As\n0.347740 0.347739 0.695479 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Co",
"As"
],
"chemical_system": "As-Ba-Co",
"density": 6.766619996476809,
"density_atomic": 0.05030352702492411,
"volume": 99.39660886050054,
"volume_molar": 11.971607392491947,
"formula_full": "Ba1 Co2 As2",
"formula_reduced": "Ba(CoAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.207132254,
"spacegroup": 139
},
{
"id": "jvasp-10532",
"created_at": "2022-09-04T14:37:19.234127Z",
"updated_at": "2022-09-04T14:37:19.234151Z",
"structure_string": "Ag4 Hg2 S4\n1.0\n0.000000 4.178237 -0.018728\n7.942840 0.000000 0.000000\n0.000000 -2.320955 -6.312035\nAg Hg S\n4 2 4\ndirect\n0.387333 0.149493 0.599234 Ag\n0.612667 0.649493 0.900768 Ag\n0.387333 0.350507 0.099233 Ag\n0.612667 0.850507 0.400768 Ag\n-0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.189036 0.873883 0.730817 S\n0.810964 0.373883 0.769185 S\n0.810964 0.126117 0.269184 S\n0.189036 0.626117 0.230816 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Hg",
"S"
],
"chemical_system": "Ag-Hg-S",
"density": 7.604656490125824,
"density_atomic": 0.04765917555766921,
"volume": 209.82318479050613,
"volume_molar": 12.635847535199192,
"formula_full": "Ag4 Hg2 S4",
"formula_reduced": "Ag2HgS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3237538240000001,
"spacegroup": 14
},
{
"id": "jvasp-59718",
"created_at": "2022-09-04T14:37:30.024538Z",
"updated_at": "2022-09-04T14:37:30.024564Z",
"structure_string": "U4 Al2 Co4\n1.0\n7.091021 0.000000 0.000000\n0.000000 7.091021 -0.000000\n0.000000 0.000000 3.398755\nU Al Co\n4 2 4\ndirect\n0.672110 0.172110 0.499999 U\n0.172110 0.327890 0.499999 U\n0.827890 0.672110 0.499999 U\n0.327890 0.827890 0.499999 U\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.863170 0.363170 0.000000 Co\n0.363170 0.136830 0.000000 Co\n0.636830 0.863170 0.000000 Co\n0.136830 0.636830 0.000000 Co\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Al",
"Co"
],
"chemical_system": "Al-Co-U",
"density": 12.066112530507649,
"density_atomic": 0.05851437861033513,
"volume": 170.89816618566545,
"volume_molar": 10.291728123959496,
"formula_full": "U4 Al2 Co4",
"formula_reduced": "U2AlCo2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.238883319999999,
"spacegroup": 127
},
{
"id": "jvasp-23330",
"created_at": "2022-09-04T14:37:38.383888Z",
"updated_at": "2022-09-04T14:37:38.383908Z",
"structure_string": "Mn2 B4 W4\n1.0\n5.770463 0.000000 0.000000\n0.000000 5.770463 -0.000000\n0.000000 -0.000000 3.182293\nMn B W\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.115056 0.615055 0.000000 B\n0.884944 0.384944 0.000000 B\n0.615055 0.884944 0.000000 B\n0.384944 0.115056 0.000000 B\n0.821980 0.678020 0.500000 W\n0.178020 0.321980 0.500000 W\n0.678020 0.178020 0.500000 W\n0.321980 0.821980 0.500000 W\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"B",
"W"
],
"chemical_system": "B-Mn-W",
"density": 13.92307981287222,
"density_atomic": 0.09437099088490168,
"volume": 105.96476635702984,
"volume_molar": 6.38134738602546,
"formula_full": "Mn2 B4 W4",
"formula_reduced": "Mn(BW)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 6.151102481609195,
"spacegroup": 127
},
{
"id": "jvasp-22061",
"created_at": "2022-09-04T14:37:34.988287Z",
"updated_at": "2022-09-04T14:37:34.988302Z",
"structure_string": "Y2 B4 Ir4\n1.0\n5.327092 -0.010122 -1.356988\n-2.866007 4.490437 -1.356988\n0.003997 0.007276 6.186627\nY B Ir\n2 4 4\ndirect\n0.125000 0.875001 0.750000 Y\n0.875000 0.125001 0.250000 Y\n0.805554 0.194448 0.750000 B\n0.555553 0.444447 0.250000 B\n0.444447 0.555555 0.750000 B\n0.194447 0.805554 0.250000 B\n0.752480 0.502481 0.004962 Ir\n0.502481 0.752482 0.504962 Ir\n0.247520 0.497521 0.995039 Ir\n0.497520 0.247520 0.495038 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"B",
"Ir"
],
"chemical_system": "B-Ir-Y",
"density": 11.113114536072828,
"density_atomic": 0.06760595795550751,
"volume": 147.91595744536522,
"volume_molar": 8.907707163861595,
"formula_full": "Y2 B4 Ir4",
"formula_reduced": "Y(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.345818563333333,
"spacegroup": 70
},
{
"id": "jvasp-23545",
"created_at": "2022-09-04T14:37:39.860720Z",
"updated_at": "2022-09-04T14:37:39.860744Z",
"structure_string": "Tm4 In2 Pd4\n1.0\n7.684791 -0.000000 -0.000000\n-0.000000 7.684791 -0.000000\n-0.000000 0.000000 3.602905\nTm In Pd\n4 2 4\ndirect\n0.328718 0.828718 0.499999 Tm\n0.828718 0.671282 0.499999 Tm\n0.171282 0.328718 0.499999 Tm\n0.671282 0.171282 0.499999 Tm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.371086 0.128914 0.000000 Pd\n0.871086 0.371086 0.000000 Pd\n0.128914 0.628914 0.000000 Pd\n0.628914 0.871086 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"In",
"Pd"
],
"chemical_system": "In-Pd-Tm",
"density": 10.387892856406562,
"density_atomic": 0.04699839940441228,
"volume": 212.7732034861848,
"volume_molar": 12.813501813499276,
"formula_full": "Tm4 In2 Pd4",
"formula_reduced": "Tm2InPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.996755974,
"spacegroup": 127
},
{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.544693250939024,
"density_atomic": 0.04065837151258626,
"volume": 491.9036167941152,
"volume_molar": 14.811564103436309,
"formula_full": "Ba4 Al8 Ge8",
"formula_reduced": "Ba(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9106006940000002,
"spacegroup": 62
},
{
"id": "jvasp-15450",
"created_at": "2022-09-04T14:36:00.918231Z",
"updated_at": "2022-09-04T14:36:00.918262Z",
"structure_string": "Pr1 Co2 Ge2\n1.0\n3.797956 0.000000 -1.398914\n-0.515266 3.762841 -1.398914\n0.016659 0.019095 5.900283\nPr Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750001 0.250001 0.500001 Co\n0.250000 0.750000 0.500000 Co\n0.366013 0.366013 0.732024 Ge\n0.633988 0.633988 0.267977 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Pr",
"density": 7.937908770542098,
"density_atomic": 0.059154468512136175,
"volume": 84.52446832438696,
"volume_molar": 10.180364918272392,
"formula_full": "Pr1 Co2 Ge2",
"formula_reduced": "Pr(CoGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.98359671,
"spacegroup": 139
},
{
"id": "jvasp-99259",
"created_at": "2022-09-04T14:36:05.146927Z",
"updated_at": "2022-09-04T14:36:05.146954Z",
"structure_string": "Eu2 Zn4 Sn4\n1.0\n4.490540 0.000000 -0.000000\n-0.000000 4.490540 0.000000\n-0.000000 -0.000000 11.563060\nEu Zn Sn\n2 4 4\ndirect\n0.750000 0.750000 0.255348 Eu\n0.250000 0.250000 0.744652 Eu\n0.250000 0.750000 0.000000 Zn\n0.750000 0.250000 0.000000 Zn\n0.250000 0.250000 0.358455 Zn\n0.750000 0.750000 0.641545 Zn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.250000 0.250000 0.137546 Sn\n0.750000 0.750000 0.862454 Sn\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sn"
],
"chemical_system": "Eu-Sn-Zn",
"density": 7.4093684714088015,
"density_atomic": 0.04288743593157048,
"volume": 233.16852086834032,
"volume_molar": 14.04173653470143,
"formula_full": "Eu2 Zn4 Sn4",
"formula_reduced": "Eu(ZnSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0070579999999999,
"spacegroup": 129
}
]
}