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=1123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1121",
"results": [
{
"id": "jvasp-8273",
"created_at": "2022-09-04T14:36:59.624014Z",
"updated_at": "2022-09-04T14:36:59.624037Z",
"structure_string": "Ca1 Cu2 N2\n1.0\n3.589120 0.000000 0.000000\n0.000000 3.589131 0.000000\n0.000000 0.000000 6.111196\nCa Cu N\n1 2 2\ndirect\n0.000000 0.000000 0.250005 Ca\n0.500000 0.500000 0.957799 Cu\n0.500000 0.500000 0.542202 Cu\n0.500000 0.000000 0.508750 N\n0.000000 0.500000 0.991248 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"N"
],
"chemical_system": "Ca-Cu-N",
"density": 4.117072119887896,
"density_atomic": 0.06351356681358312,
"volume": 78.72333819127743,
"volume_molar": 9.481660473699131,
"formula_full": "Ca1 Cu2 N2",
"formula_reduced": "Ca(CuN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.946735564,
"spacegroup": 115
},
{
"id": "jvasp-15573",
"created_at": "2022-09-04T14:36:59.570170Z",
"updated_at": "2022-09-04T14:36:59.570189Z",
"structure_string": "Pr1 Mn2 Si2\n1.0\n3.760589 -0.000000 -1.341228\n-0.478355 3.730042 -1.341228\n0.017524 0.019914 5.991793\nPr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.749999 0.499999 Mn\n0.750000 0.249999 0.499999 Mn\n0.627187 0.627186 0.254373 Si\n0.372813 0.372812 0.745626 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Mn",
"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 6.050067886694183,
"density_atomic": 0.05934809873569478,
"volume": 84.24869720371954,
"volume_molar": 10.14715026814835,
"formula_full": "Pr1 Mn2 Si2",
"formula_reduced": "Pr(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.401234306551723,
"spacegroup": 139
},
{
"id": "jvasp-15527",
"created_at": "2022-09-04T14:36:59.561054Z",
"updated_at": "2022-09-04T14:36:59.561062Z",
"structure_string": "Ca1 P2 Ru2\n1.0\n3.810108 -0.000000 -1.458031\n-0.557952 3.769033 -1.458031\n0.001483 0.001719 5.711151\nCa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.632685 0.632684 0.265371 P\n0.367315 0.367315 0.734629 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"P",
"Ru"
],
"chemical_system": "Ca-P-Ru",
"density": 6.156970875456006,
"density_atomic": 0.060950604776677304,
"volume": 82.03364049167311,
"volume_molar": 9.88036260192182,
"formula_full": "Ca1 P2 Ru2",
"formula_reduced": "Ca(PRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.908836484000001,
"spacegroup": 139
},
{
"id": "jvasp-18532",
"created_at": "2022-09-04T14:36:59.423549Z",
"updated_at": "2022-09-04T14:36:59.423577Z",
"structure_string": "Ca1 Mn2 Bi2\n1.0\n2.276635 -3.943248 0.000000\n2.276635 3.943248 -0.000000\n0.000000 0.000000 7.750326\nCa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.385428 Mn\n0.333334 0.666668 0.614573 Mn\n0.666668 0.333334 0.751436 Bi\n0.333334 0.666668 0.248565 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ca-Mn",
"density": 6.776959446678,
"density_atomic": 0.03593126755913224,
"volume": 139.15456758577966,
"volume_molar": 16.76016786796997,
"formula_full": "Ca1 Mn2 Bi2",
"formula_reduced": "Ca(MnBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.112568700551724,
"spacegroup": 164
},
{
"id": "jvasp-106653",
"created_at": "2022-09-04T14:36:59.535116Z",
"updated_at": "2022-09-04T14:36:59.535143Z",
"structure_string": "Nd2 Ga1 Co2\n1.0\n4.767814 -0.015626 -2.799913\n-0.876326 3.703068 -4.011377\n0.009179 0.015626 5.529148\nNd Ga Co\n2 1 2\ndirect\n0.294209 0.794210 0.500000 Nd\n0.705790 0.205791 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.713124 0.500000 0.213124 Co\n0.286875 0.500001 0.786876 Co\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Nd",
"density": 8.068586414927761,
"density_atomic": 0.051032219151873275,
"volume": 97.97731870369705,
"volume_molar": 11.800664090420888,
"formula_full": "Nd2 Ga1 Co2",
"formula_reduced": "Nd2GaCo2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.935179425,
"spacegroup": 71
},
{
"id": "jvasp-102431",
"created_at": "2022-09-04T14:36:51.888868Z",
"updated_at": "2022-09-04T14:36:51.888888Z",
"structure_string": "Ca1 Al2 Sn2\n1.0\n4.504273 0.000000 0.000000\n-2.252136 3.900815 0.000000\n-0.000000 -0.000000 7.522788\nCa Al Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666666 0.333333 0.369969 Al\n0.333332 0.666666 0.630031 Al\n0.666666 0.333333 0.749319 Sn\n0.333332 0.666666 0.250681 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Sn"
],
"chemical_system": "Al-Ca-Sn",
"density": 4.164115365151832,
"density_atomic": 0.03782780332810849,
"volume": 132.1779104282452,
"volume_molar": 15.91987963923129,
"formula_full": "Ca1 Al2 Sn2",
"formula_reduced": "Ca(AlSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7414238840000003,
"spacegroup": 164
},
{
"id": "jvasp-15110",
"created_at": "2022-09-04T14:37:00.875212Z",
"updated_at": "2022-09-04T14:37:00.875238Z",
"structure_string": "Ce1 Mn2 Si2\n1.0\n3.721915 0.000000 -1.325012\n-0.471707 3.691902 -1.325012\n-0.002325 -0.002641 5.883344\nCe Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249998 0.750000 0.500000 Mn\n0.749998 0.250000 0.500000 Mn\n0.622419 0.622421 0.244843 Si\n0.377577 0.377579 0.755157 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Si"
],
"chemical_system": "Ce-Mn-Si",
"density": 6.290729771314465,
"density_atomic": 0.06186843126496749,
"volume": 80.81666041581389,
"volume_molar": 9.733786095543028,
"formula_full": "Ce1 Mn2 Si2",
"formula_reduced": "Ce(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.503529436551724,
"spacegroup": 139
},
{
"id": "jvasp-8295",
"created_at": "2022-09-04T14:36:45.728186Z",
"updated_at": "2022-09-04T14:36:45.728207Z",
"structure_string": "Ca1 W2 N2\n1.0\n3.360426 0.000000 0.000000\n0.000000 3.360995 0.000000\n0.000000 0.000000 7.641936\nCa W N\n1 2 2\ndirect\n0.000000 0.000000 0.249998 Ca\n0.500001 0.499999 0.916962 W\n0.500001 0.499999 0.583014 W\n0.500001 0.000000 0.460675 N\n0.000000 0.499999 0.039352 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"W",
"N"
],
"chemical_system": "Ca-N-W",
"density": 8.383825345922416,
"density_atomic": 0.057930116980885224,
"volume": 86.31089078673557,
"volume_molar": 10.395526668774176,
"formula_full": "Ca1 W2 N2",
"formula_reduced": "Ca(WN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.473239383999999,
"spacegroup": 115
},
{
"id": "jvasp-13895",
"created_at": "2022-09-04T14:36:59.415499Z",
"updated_at": "2022-09-04T14:36:59.415523Z",
"structure_string": "Ce2 Sn4 Ir4\n1.0\n4.452264 0.000000 -0.000000\n0.000000 4.452264 0.000000\n-0.000000 0.000000 10.970300\nCe Sn Ir\n2 4 4\ndirect\n0.500000 0.000000 0.753102 Ce\n0.000000 0.500000 0.246898 Ce\n0.500000 0.000000 0.131143 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.868857 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.634923 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.365077 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Ir"
],
"chemical_system": "Ce-Ir-Sn",
"density": 11.63688239611323,
"density_atomic": 0.045985369385394256,
"volume": 217.46046913730288,
"volume_molar": 13.095775548804738,
"formula_full": "Ce2 Sn4 Ir4",
"formula_reduced": "Ce(SnIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5063122200000003,
"spacegroup": 129
},
{
"id": "jvasp-43161",
"created_at": "2022-09-04T14:36:52.180944Z",
"updated_at": "2022-09-04T14:36:52.180964Z",
"structure_string": "Li2 Co1 O2\n1.0\n3.087439 -0.000000 -0.000000\n-1.543719 2.675770 0.000357\n-0.000000 0.000649 5.132446\nLi Co O\n2 1 2\ndirect\n0.333329 0.666739 0.641100 Li\n0.666590 0.333261 0.358901 Li\n0.999960 0.000000 0.000000 Co\n0.333393 0.666863 0.241300 O\n0.666529 0.333137 0.758701 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.104845584490241,
"density_atomic": 0.1179229830730495,
"volume": 42.4005555973992,
"volume_molar": 5.106842282194878,
"formula_full": "Li2 Co1 O2",
"formula_reduced": "Li2CoO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7198515800000005,
"spacegroup": 164
},
{
"id": "jvasp-16029",
"created_at": "2022-09-04T14:36:46.967929Z",
"updated_at": "2022-09-04T14:36:46.967955Z",
"structure_string": "Zr1 Cu2 P2\n1.0\n1.916341 -3.319200 0.000000\n1.916341 3.319200 -0.000000\n0.000000 -0.000000 6.194133\nZr Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.640570 Cu\n0.333333 0.666667 0.359430 Cu\n0.666667 0.333333 0.249613 P\n0.333333 0.666667 0.750387 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"P"
],
"chemical_system": "Cu-P-Zr",
"density": 5.9060747702981935,
"density_atomic": 0.06345316206420007,
"volume": 78.79827950798015,
"volume_molar": 9.490686616857602,
"formula_full": "Zr1 Cu2 P2",
"formula_reduced": "Zr(CuP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.87130928,
"spacegroup": 164
},
{
"id": "jvasp-101244",
"created_at": "2022-09-04T14:36:40.290856Z",
"updated_at": "2022-09-04T14:36:40.290883Z",
"structure_string": "Sr2 Ca1 N2\n1.0\n3.757541 0.000410 0.000236\n-1.878316 3.254763 -0.000411\n0.000461 -0.000900 9.462532\nSr Ca N\n2 1 2\ndirect\n0.666675 0.333272 0.215091 Sr\n0.333323 0.666727 0.784910 Sr\n-0.000000 -0.000000 0.500000 Ca\n0.666713 0.333230 0.661385 N\n0.333285 0.666769 0.338616 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"N"
],
"chemical_system": "Ca-N-Sr",
"density": 3.491318352989188,
"density_atomic": 0.04320283072167858,
"volume": 115.73315721395703,
"volume_molar": 13.939227266833173,
"formula_full": "Sr2 Ca1 N2",
"formula_reduced": "Sr2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7140979079999998,
"spacegroup": 164
}
]
}