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=updated_at&page=895",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=893",
"results": [
{
"id": "jvasp-67776",
"created_at": "2022-09-04T14:36:10.340839Z",
"updated_at": "2022-09-04T14:36:10.340866Z",
"structure_string": "Na1 Be1 Tc2\n1.0\n2.961181 0.000000 -0.000000\n0.000000 2.961181 0.000000\n0.000000 0.000000 7.404483\nNa Be Tc\n1 1 2\ndirect\n0.500000 0.500000 0.733122 Na\n0.000000 0.000000 0.424898 Be\n0.000000 0.000000 0.072356 Tc\n0.500000 0.500000 0.269623 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tc"
],
"chemical_system": "Be-Na-Tc",
"density": 5.831268147047881,
"density_atomic": 0.06160774924217536,
"volume": 64.92689717126827,
"volume_molar": 9.774972846885582,
"formula_full": "Na1 Be1 Tc2",
"formula_reduced": "NaBeTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.080839525,
"spacegroup": 99
},
{
"id": "jvasp-107902",
"created_at": "2022-09-04T14:36:10.343368Z",
"updated_at": "2022-09-04T14:36:10.343389Z",
"structure_string": "Ca1 Yb1 Pd2\n1.0\n4.245541 -0.000000 2.451164\n1.415180 4.002735 2.451164\n-0.000000 -0.000000 4.902329\nYb Ca Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500000 Ca\n0.250000 0.250000 0.250000 Pd\n0.750000 0.749999 0.749999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Pd"
],
"chemical_system": "Ca-Pd-Yb",
"density": 8.490309946888067,
"density_atomic": 0.04801397472413472,
"volume": 83.30907872097826,
"volume_molar": 12.542474966091296,
"formula_full": "Ca1 Yb1 Pd2",
"formula_reduced": "CaYbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.30765813,
"spacegroup": 225
},
{
"id": "jvasp-12178",
"created_at": "2022-09-04T14:36:10.343621Z",
"updated_at": "2022-09-04T14:36:10.343655Z",
"structure_string": "Li2 W1 S4\n1.0\n5.946643 0.000000 0.000000\n0.000000 5.946643 -0.000000\n0.000000 0.000000 5.209040\nLi W S\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 W\n0.217802 0.217802 0.237934 S\n0.217802 0.782197 0.762066 S\n0.782197 0.217802 0.762066 S\n0.782197 0.782197 0.237934 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"W",
"S"
],
"chemical_system": "Li-S-W",
"density": 2.9386055279980177,
"density_atomic": 0.038001139000569506,
"volume": 184.2050050103786,
"volume_molar": 15.847263840985788,
"formula_full": "Li2 W1 S4",
"formula_reduced": "Li2WS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6272214285714286,
"spacegroup": 111
},
{
"id": "jvasp-66993",
"created_at": "2022-09-04T14:36:10.344606Z",
"updated_at": "2022-09-04T14:36:10.344642Z",
"structure_string": "Hf1 Be1 Pd1\n1.0\n-1.526491 1.526491 4.794571\n1.526491 -1.526491 4.794571\n1.526491 1.526491 -4.794571\nHf Be Pd\n1 1 1\ndirect\n0.338559 0.338559 0.000000 Hf\n0.023947 0.023947 0.000000 Be\n0.637494 0.637494 0.000000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Pd"
],
"chemical_system": "Be-Hf-Pd",
"density": 10.921523353991557,
"density_atomic": 0.06713098398346827,
"volume": 44.68875356778298,
"volume_molar": 8.97073214580471,
"formula_full": "Hf1 Be1 Pd1",
"formula_reduced": "HfBePd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5308716,
"spacegroup": 107
},
{
"id": "jvasp-92384",
"created_at": "2022-09-04T14:36:10.348307Z",
"updated_at": "2022-09-04T14:36:10.348331Z",
"structure_string": "Ca1 Si2 Ni2\n1.0\n3.745401 0.000000 -1.423962\n-0.541375 3.706069 -1.423962\n-0.015801 -0.018277 5.596124\nCa Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.630142 0.630141 0.260281 Si\n0.369859 0.369859 0.739719 Si\n0.250001 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Ni"
],
"chemical_system": "Ca-Ni-Si",
"density": 4.578416725055423,
"density_atomic": 0.06453007872685718,
"volume": 77.48324655179785,
"volume_molar": 9.332300345534225,
"formula_full": "Ca1 Si2 Ni2",
"formula_reduced": "Ca(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.552952484,
"spacegroup": 139
},
{
"id": "jvasp-66311",
"created_at": "2022-09-04T14:36:10.350366Z",
"updated_at": "2022-09-04T14:36:10.350397Z",
"structure_string": "Ba1 Co1 Te1\n1.0\n0.000000 3.877015 3.877015\n3.877015 0.000000 3.877015\n3.877015 3.877015 -0.000000\nBa Co Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Co\n0.499999 0.499999 0.499999 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Te"
],
"chemical_system": "Ba-Co-Te",
"density": 4.614070553476511,
"density_atomic": 0.025739423481057105,
"volume": 116.55272707284396,
"volume_molar": 23.396564279817635,
"formula_full": "Ba1 Co1 Te1",
"formula_reduced": "BaCoTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.256218212222222,
"spacegroup": 216
},
{
"id": "jvasp-68195",
"created_at": "2022-09-04T14:36:10.350909Z",
"updated_at": "2022-09-04T14:36:10.350931Z",
"structure_string": "Ca1 Be1 Hg2\n1.0\n3.470721 -0.000000 0.000000\n0.000000 3.470721 0.000000\n0.000000 0.000000 7.164044\nCa Be Hg\n1 1 2\ndirect\n0.500000 0.500000 0.737772 Ca\n0.000000 0.000000 0.427623 Be\n0.000000 0.000000 0.017931 Hg\n0.500000 0.500000 0.316674 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Hg"
],
"chemical_system": "Be-Ca-Hg",
"density": 8.6641234905813,
"density_atomic": 0.0463513448823793,
"volume": 86.29738813728835,
"volume_molar": 12.992375464577618,
"formula_full": "Ca1 Be1 Hg2",
"formula_reduced": "CaBeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-70753",
"created_at": "2022-09-04T14:36:10.353048Z",
"updated_at": "2022-09-04T14:36:10.353078Z",
"structure_string": "Sr1 Be1 V2\n1.0\n3.180752 -0.000000 0.000000\n0.000000 3.180752 0.000000\n0.000000 -0.000000 7.194698\nSr Be V\n1 1 2\ndirect\n0.500000 0.500000 0.736045 Sr\n0.000000 0.000000 0.414032 Be\n0.000000 0.000000 0.097181 V\n0.500000 0.500000 0.252743 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"V"
],
"chemical_system": "Be-Sr-V",
"density": 4.528669600269673,
"density_atomic": 0.05495254422965317,
"volume": 72.79007834984905,
"volume_molar": 10.958802443855488,
"formula_full": "Sr1 Be1 V2",
"formula_reduced": "SrBeV2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6043377025,
"spacegroup": 99
},
{
"id": "jvasp-1804",
"created_at": "2022-09-04T14:36:10.353804Z",
"updated_at": "2022-09-04T14:36:10.353849Z",
"structure_string": "K1 Pr1 S2\n1.0\n4.054358 0.001035 6.546625\n1.863792 3.600569 6.546625\n0.001700 0.001035 7.700397\nK Pr S\n1 1 2\ndirect\n0.500001 0.499999 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.737535 0.737533 0.737535 S\n0.262466 0.262465 0.262466 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Pr",
"S"
],
"chemical_system": "K-Pr-S",
"density": 3.6086442761968693,
"density_atomic": 0.035606003608294315,
"volume": 112.34060536544494,
"volume_molar": 16.913273464358017,
"formula_full": "K1 Pr1 S2",
"formula_reduced": "KPrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6363219625000001,
"spacegroup": 166
},
{
"id": "jvasp-67143",
"created_at": "2022-09-04T14:36:10.356641Z",
"updated_at": "2022-09-04T14:36:10.356663Z",
"structure_string": "Mg1 Be1 Se1\n1.0\n-1.645611 1.645611 4.845613\n1.645611 -1.645611 4.845613\n1.645611 1.645611 -4.845613\nMg Be Se\n1 1 1\ndirect\n0.341097 0.341097 0.000000 Mg\n0.039778 0.039778 0.000000 Be\n0.619124 0.619124 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Se"
],
"chemical_system": "Be-Mg-Se",
"density": 3.552037325846792,
"density_atomic": 0.057155519191109366,
"volume": 52.48836932036224,
"volume_molar": 10.53641161033623,
"formula_full": "Mg1 Be1 Se1",
"formula_reduced": "MgBeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7102695055555555,
"spacegroup": 107
},
{
"id": "jvasp-97848",
"created_at": "2022-09-04T14:36:10.360723Z",
"updated_at": "2022-09-04T14:36:10.360743Z",
"structure_string": "Ti12 Ni12 O4\n1.0\n6.739523 0.000000 3.891065\n2.246508 6.354083 3.891065\n-0.000000 -0.000000 7.782132\nTi Ni O\n12 12 4\ndirect\n0.930593 0.930592 0.319409 Ti\n0.069408 0.680592 0.680593 Ti\n0.319408 0.930592 0.930593 Ti\n0.680592 0.069407 0.680593 Ti\n0.680593 0.680592 0.069408 Ti\n0.069407 0.069407 0.680593 Ti\n0.069408 0.680592 0.069408 Ti\n0.319408 0.930592 0.319408 Ti\n0.930592 0.319407 0.930593 Ti\n0.930592 0.319407 0.319408 Ti\n0.319407 0.319407 0.930593 Ti\n0.680592 0.069407 0.069408 Ti\n0.500000 0.500000 0.500001 Ni\n0.711084 0.711084 0.366750 Ni\n0.711084 0.366749 0.711085 Ni\n0.366749 0.711084 0.711084 Ni\n0.288916 0.633250 0.288917 Ni\n0.633251 0.288916 0.288917 Ni\n0.288916 0.288916 0.633251 Ni\n0.711084 0.711084 0.711085 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000001 Ni\n0.288916 0.288916 0.288916 Ni\n0.500000 -0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"O"
],
"chemical_system": "Ni-O-Ti",
"density": 6.690440231371525,
"density_atomic": 0.08401897811052217,
"volume": 333.2580403818718,
"volume_molar": 7.167595816362129,
"formula_full": "Ti12 Ni12 O4",
"formula_reduced": "Ti3Ni3O",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.6126865285714285,
"spacegroup": 227
},
{
"id": "jvasp-91214",
"created_at": "2022-09-04T14:36:10.360747Z",
"updated_at": "2022-09-04T14:36:10.360771Z",
"structure_string": "Nd6 Au8\n1.0\n7.547584 0.016075 -3.363913\n-5.186919 5.482896 -3.363915\n0.006900 0.016077 8.263286\nNd Au\n6 8\ndirect\n0.271905 0.399318 0.015927 Nd\n0.015928 0.271905 0.399317 Nd\n0.399317 0.015928 0.271905 Nd\n0.728096 0.600684 0.984074 Nd\n0.984073 0.728097 0.600684 Nd\n0.600684 0.984074 0.728096 Nd\n0.438022 0.766428 0.927310 Au\n0.927310 0.438022 0.766428 Au\n0.766427 0.927311 0.438022 Au\n0.561979 0.233574 0.072691 Au\n0.072691 0.561980 0.233573 Au\n0.233573 0.072691 0.561980 Au\n0.500000 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 11.802453270338258,
"density_atomic": 0.04076154292516856,
"volume": 343.4609927720764,
"volume_molar": 14.77407460030562,
"formula_full": "Nd6 Au8",
"formula_reduced": "Nd3Au4",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.9543035400000002,
"spacegroup": 148
}
]
}