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=85",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=83",
"results": [
{
"id": "jvasp-94849",
"created_at": "2022-09-04T14:36:17.149602Z",
"updated_at": "2022-09-04T14:36:17.149627Z",
"structure_string": "Tl2 Rh3 S2\n1.0\n-4.978706 -0.000000 2.848447\n-3.304189 4.688656 -0.000000\n-4.973970 0.003337 -2.918556\nTl Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Tl\n0.500000 0.000000 0.500000 Rh\n-0.000001 0.500001 0.500000 Rh\n-0.000000 0.000000 0.500000 Rh\n0.719278 0.719279 0.842166 S\n0.280722 0.280723 0.157834 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Rh",
"S"
],
"chemical_system": "Rh-S-Tl",
"density": 9.647868529254081,
"density_atomic": 0.05203415300492592,
"volume": 134.52702880235853,
"volume_molar": 11.573438621033961,
"formula_full": "Tl2 Rh3 S2",
"formula_reduced": "Tl2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.7767606000000007,
"spacegroup": 166
},
{
"id": "jvasp-16166",
"created_at": "2022-09-04T14:36:55.366724Z",
"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.9209248074174194,
"density_atomic": 0.031657106828062435,
"volume": 221.1193852305812,
"volume_molar": 19.023029466046072,
"formula_full": "Ba3 Al2 Si2",
"formula_reduced": "Ba3(AlSi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3868758157142855,
"spacegroup": 71
},
{
"id": "jvasp-16298",
"created_at": "2022-09-04T14:38:00.645963Z",
"updated_at": "2022-09-04T14:38:00.645991Z",
"structure_string": "Ca3 Al2 Ge2\n1.0\n4.021054 -0.000000 -0.859068\n-0.227605 4.410237 -1.065355\n-0.013324 0.021953 9.777878\nCa Al Ge\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.186115 0.186133 0.372229 Ca\n0.813886 0.813867 0.627772 Ca\n0.931770 0.431722 0.863541 Al\n0.068231 0.568278 0.136459 Al\n0.353036 0.352994 0.706070 Ge\n0.646966 0.647006 0.293931 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ge"
],
"chemical_system": "Al-Ca-Ge",
"density": 3.0585987757771633,
"density_atomic": 0.040358196483842604,
"volume": 173.44679916017677,
"volume_molar": 14.921729127343346,
"formula_full": "Ca3 Al2 Ge2",
"formula_reduced": "Ca3(AlGe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.5102083942857144,
"spacegroup": 71
},
{
"id": "jvasp-15266",
"created_at": "2022-09-04T14:36:01.637105Z",
"updated_at": "2022-09-04T14:36:01.637132Z",
"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.187826691846968,
"density_atomic": 0.06886414853176602,
"volume": 101.64940900664737,
"volume_molar": 8.744957845840604,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.280130257142858,
"spacegroup": 12
},
{
"id": "jvasp-102157",
"created_at": "2022-09-04T14:36:34.959800Z",
"updated_at": "2022-09-04T14:36:34.959821Z",
"structure_string": "Y3 Si2 Ni2\n1.0\n3.996169 -0.008440 -8.014997\n-0.209602 3.948964 -8.035630\n-0.007520 0.008440 8.955974\nY Si Ni\n3 2 2\ndirect\n0.181019 0.681018 0.500000 Y\n0.818982 0.318981 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.361288 0.861287 0.499999 Si\n0.638713 0.138713 0.500000 Si\n0.430941 0.430940 -0.000000 Ni\n0.569060 0.569059 -0.000000 Ni\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Y",
"density": 5.171766236688834,
"density_atomic": 0.04951804134876754,
"volume": 141.36261874126455,
"volume_molar": 12.161508403744415,
"formula_full": "Y3 Si2 Ni2",
"formula_reduced": "Y3(SiNi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.67687405,
"spacegroup": 71
},
{
"id": "jvasp-57760",
"created_at": "2022-09-04T14:37:10.160077Z",
"updated_at": "2022-09-04T14:37:10.160096Z",
"structure_string": "Cu4 Ag4 O6\n1.0\n5.369980 0.000000 -2.590306\n-1.249481 5.222593 -2.590306\n-0.024034 -0.030462 6.811598\nCu Ag O\n4 4 6\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n-0.000000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.625000 0.375000 0.249999 O\n0.375001 0.625000 0.750000 O\n0.613809 0.863808 0.227616 O\n0.863809 0.613808 0.727617 O\n0.136192 0.386191 0.272383 O\n0.386192 0.136192 0.772383 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 6.824741833967524,
"density_atomic": 0.0736124132602829,
"volume": 190.18531494814627,
"volume_molar": 8.180876693590493,
"formula_full": "Cu4 Ag4 O6",
"formula_reduced": "Cu2Ag2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.8839922742857145,
"spacegroup": 141
},
{
"id": "jvasp-10141",
"created_at": "2022-09-04T14:37:10.371516Z",
"updated_at": "2022-09-04T14:37:10.371529Z",
"structure_string": "Hg6 S4 F4\n1.0\n6.725481 0.000000 -2.377816\n-3.362740 5.824438 -2.377816\n-0.000000 -0.000000 7.133450\nHg S F\n6 4 4\ndirect\n0.750000 0.921507 0.171506 Hg\n0.328494 0.250000 0.578493 Hg\n0.578494 0.328494 0.250000 Hg\n0.171507 0.750000 0.921506 Hg\n0.921506 0.171507 0.749999 Hg\n0.250000 0.578494 0.328493 Hg\n0.919924 0.500000 -0.000001 S\n0.500000 0.000000 0.919924 S\n0.580076 0.580076 0.580075 S\n0.000000 0.919925 0.500000 S\n0.431963 0.500000 -0.000000 F\n0.500000 0.000000 0.431962 F\n0.000000 0.431963 0.500000 F\n0.068037 0.068037 0.068037 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"S",
"F"
],
"chemical_system": "F-Hg-S",
"density": 8.365869576190093,
"density_atomic": 0.05010153563543727,
"volume": 279.43255276386526,
"volume_molar": 12.019872611929454,
"formula_full": "Hg6 S4 F4",
"formula_reduced": "Hg3(SF)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
},
{
"id": "jvasp-94864",
"created_at": "2022-09-04T14:36:03.207297Z",
"updated_at": "2022-09-04T14:36:03.207314Z",
"structure_string": "Er2 Mo2 C3\n1.0\n0.000000 3.367859 0.000000\n0.171817 0.000000 5.648936\n5.299020 -1.683929 -1.932619\nEr Mo C\n2 2 3\ndirect\n0.614381 0.820007 0.228762 Er\n0.385619 0.179993 0.771239 Er\n0.851007 0.629656 0.702014 Mo\n0.148994 0.370345 0.297987 Mo\n0.000000 0.500000 0.000000 C\n0.270325 0.744350 0.540651 C\n0.729675 0.255651 0.459350 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.162424780797481,
"density_atomic": 0.06867375737244488,
"volume": 101.93122187906857,
"volume_molar": 8.76920237135061,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.285553114285715,
"spacegroup": 12
},
{
"id": "jvasp-35442",
"created_at": "2022-09-04T14:37:52.921190Z",
"updated_at": "2022-09-04T14:37:52.921203Z",
"structure_string": "U2 W2 C3\n1.0\n0.000000 3.164954 0.000000\n0.210438 0.000000 5.573588\n5.515259 -1.582477 -1.709271\nU W C\n2 2 3\ndirect\n0.603281 0.335534 0.206564 U\n0.396717 0.664467 0.793436 U\n0.845872 0.131513 0.691749 W\n0.154126 0.868487 0.308252 W\n0.252085 0.261234 0.504173 C\n0.747913 0.738767 0.495827 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"U",
"W",
"C"
],
"chemical_system": "C-U-W",
"density": 14.842180858601107,
"density_atomic": 0.071117675451706,
"volume": 98.42841397077865,
"volume_molar": 8.467853767365424,
"formula_full": "U2 W2 C3",
"formula_reduced": "U2W2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 7.442040285714287,
"spacegroup": 12
},
{
"id": "jvasp-94970",
"created_at": "2022-09-04T14:35:53.437416Z",
"updated_at": "2022-09-04T14:35:53.437444Z",
"structure_string": "Ti2 H2 O3\n1.0\n-1.557061 -2.696454 0.000072\n-1.556667 2.696228 0.000000\n0.000857 0.000494 -8.804272\nTi H O\n2 2 3\ndirect\n0.666570 0.333285 0.876987 Ti\n0.333429 0.666714 0.123013 Ti\n0.333077 0.666538 0.631706 H\n0.666921 0.333462 0.368294 H\n0.333128 0.666564 0.744582 O\n0.666870 0.333435 0.255418 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.2741834169879365,
"density_atomic": 0.09469980937368902,
"volume": 73.91778342845164,
"volume_molar": 6.359189949619017,
"formula_full": "Ti2 H2 O3",
"formula_reduced": "Ti2H2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 3.000551023809524,
"spacegroup": 164
},
{
"id": "jvasp-54875",
"created_at": "2022-09-04T14:37:07.270473Z",
"updated_at": "2022-09-04T14:37:07.270482Z",
"structure_string": "Li4 Nd4 Si6\n1.0\n4.296326 -0.000000 -1.021516\n0.000000 6.823906 0.000000\n-0.002697 0.000000 9.534235\nLi Nd Si\n4 4 6\ndirect\n0.188553 0.061380 0.377106 Li\n0.188553 0.438620 0.377106 Li\n0.811448 0.938620 0.622894 Li\n0.811448 0.561381 0.622894 Li\n0.341650 0.250000 0.683303 Nd\n0.658350 0.750000 0.316697 Nd\n0.552071 0.250000 0.104140 Nd\n0.447930 0.750000 0.895860 Nd\n0.719945 0.250000 0.439888 Si\n0.280055 0.750000 0.560112 Si\n0.058499 0.926458 0.117000 Si\n0.941501 0.073542 0.883000 Si\n0.941501 0.426458 0.883000 Si\n0.058499 0.573543 0.117000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Si"
],
"chemical_system": "Li-Nd-Si",
"density": 4.593876471728838,
"density_atomic": 0.050088858070739685,
"volume": 279.5032775598123,
"volume_molar": 12.022914859618137,
"formula_full": "Li4 Nd4 Si6",
"formula_reduced": "Li2Nd2Si3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.2026912571428565,
"spacegroup": 63
},
{
"id": "jvasp-56250",
"created_at": "2022-09-04T14:37:10.683772Z",
"updated_at": "2022-09-04T14:37:10.683797Z",
"structure_string": "Th4 Al4 C6\n1.0\n3.528932 0.000000 0.000000\n0.000000 5.431701 0.000000\n0.000000 -0.000000 11.624182\nTh Al C\n4 4 6\ndirect\n0.500000 0.826626 0.149528 Th\n0.000000 0.326626 0.350472 Th\n0.000000 0.673373 0.649528 Th\n0.500000 0.173373 0.850472 Th\n0.500000 0.816768 0.415162 Al\n0.000000 0.316768 0.084838 Al\n0.500000 0.183232 0.584838 Al\n0.000000 0.683232 0.915161 Al\n0.000000 0.166217 0.686923 C\n0.500000 0.666217 0.813077 C\n0.000000 0.833783 0.313077 C\n0.000000 0.000000 0.000000 C\n0.500000 0.333783 0.186923 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Th",
"Al",
"C"
],
"chemical_system": "Al-C-Th",
"density": 8.258538537261812,
"density_atomic": 0.06283281099067105,
"volume": 222.81352336884333,
"volume_molar": 9.5843885782766,
"formula_full": "Th4 Al4 C6",
"formula_reduced": "Th2Al2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.534200971428572,
"spacegroup": 58
}
]
}