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=920",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=918",
"results": [
{
"id": "jvasp-92623",
"created_at": "2022-09-04T14:36:11.206068Z",
"updated_at": "2022-09-04T14:36:11.206083Z",
"structure_string": "Er2 In1 Ni2\n1.0\n0.000000 0.000000 -3.607363\n-3.876294 0.000000 0.000000\n1.938147 7.075117 0.000000\nEr In Ni\n2 1 2\ndirect\n0.500000 0.638867 0.277735 Er\n0.500000 0.361132 0.722266 Er\n0.000000 0.000000 0.000000 In\n0.000000 0.801975 0.603954 Ni\n0.000000 0.198023 0.396047 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"In",
"Ni"
],
"chemical_system": "Er-In-Ni",
"density": 9.512169951719557,
"density_atomic": 0.050539369866620484,
"volume": 98.93277286985582,
"volume_molar": 11.915741679987619,
"formula_full": "Er2 In1 Ni2",
"formula_reduced": "Er2InNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7978709540000002,
"spacegroup": 65
},
{
"id": "jvasp-15262",
"created_at": "2022-09-04T14:36:11.207944Z",
"updated_at": "2022-09-04T14:36:11.207963Z",
"structure_string": "Nd2 Si4 Ni2\n1.0\n4.082897 -0.000000 -0.000000\n0.000000 4.046070 -1.012934\n-0.000000 -0.019627 8.508892\nNd Si Ni\n2 4 2\ndirect\n0.250000 0.893917 0.787835 Nd\n0.750001 0.106082 0.212165 Nd\n0.250000 0.249712 0.499426 Si\n0.750001 0.750287 0.500575 Si\n0.750001 0.458842 0.917685 Si\n0.250000 0.541158 0.082315 Si\n0.750001 0.318345 0.636690 Ni\n0.250000 0.681654 0.363310 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Ni"
],
"chemical_system": "Nd-Ni-Si",
"density": 6.12538329727975,
"density_atomic": 0.05694636711083826,
"volume": 140.48306162233496,
"volume_molar": 10.575109643568188,
"formula_full": "Nd2 Si4 Ni2",
"formula_reduced": "NdSi2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.035277775,
"spacegroup": 63
},
{
"id": "jvasp-70898",
"created_at": "2022-09-04T14:36:11.211600Z",
"updated_at": "2022-09-04T14:36:11.211619Z",
"structure_string": "Be2 Bi1 Pb1\n1.0\n4.756139 -0.000000 -0.000000\n-0.000000 4.756139 -0.000000\n0.000000 0.000000 3.728523\nBe Bi Pb\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n0.000000 -0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Pb"
],
"chemical_system": "Be-Bi-Pb",
"density": 8.548654754263154,
"density_atomic": 0.047425736910253466,
"volume": 84.34239003116467,
"volume_molar": 12.69804362006236,
"formula_full": "Be2 Bi1 Pb1",
"formula_reduced": "Be2BiPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.40977683,
"spacegroup": 123
},
{
"id": "jvasp-70653",
"created_at": "2022-09-04T14:36:11.212223Z",
"updated_at": "2022-09-04T14:36:11.212236Z",
"structure_string": "Be2 Bi1 Ru1\n1.0\n-1.946989 1.946989 3.849281\n1.946989 -1.946989 3.849281\n1.946989 1.946989 -3.849281\nBe Bi Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Ru"
],
"chemical_system": "Be-Bi-Ru",
"density": 9.333731842037771,
"density_atomic": 0.0685319971618057,
"volume": 58.366896714769645,
"volume_molar": 8.78734169351811,
"formula_full": "Be2 Bi1 Ru1",
"formula_reduced": "Be2BiRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.39754925,
"spacegroup": 139
},
{
"id": "jvasp-85419",
"created_at": "2022-09-04T14:36:11.216076Z",
"updated_at": "2022-09-04T14:36:11.216096Z",
"structure_string": "La2 Ge2 Au2\n1.0\n4.528296 0.000000 -0.000000\n-2.264148 3.921618 0.000000\n0.000000 -0.000000 8.100370\nLa Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.008153 La\n0.000000 0.000000 0.508154 La\n0.333333 0.666667 0.786274 Ge\n0.666668 0.333333 0.286274 Ge\n0.666668 0.333333 0.742473 Au\n0.333333 0.666667 0.242473 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-La",
"density": 9.43146161618572,
"density_atomic": 0.04171058673120442,
"volume": 143.8483720851449,
"volume_molar": 14.437919079893287,
"formula_full": "La2 Ge2 Au2",
"formula_reduced": "LaGeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.61680284,
"spacegroup": 186
},
{
"id": "jvasp-66312",
"created_at": "2022-09-04T14:36:11.217917Z",
"updated_at": "2022-09-04T14:36:11.217942Z",
"structure_string": "Ba4 Ni1 Pb1\n1.0\n0.000000 4.918828 4.918828\n4.918828 0.000000 4.918828\n4.918828 4.918828 -0.000000\nBa Ni Pb\n4 1 1\ndirect\n0.124790 0.625071 0.625071 Ba\n0.625071 0.625071 0.625071 Ba\n0.625071 0.124790 0.625071 Ba\n0.625071 0.625071 0.124790 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pb"
],
"chemical_system": "Ba-Ni-Pb",
"density": 5.687207958764123,
"density_atomic": 0.02520788129478601,
"volume": 238.02079714018006,
"volume_molar": 23.889912403092833,
"formula_full": "Ba4 Ni1 Pb1",
"formula_reduced": "Ba4NiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1464145166666666,
"spacegroup": 216
},
{
"id": "jvasp-32220",
"created_at": "2022-09-04T14:36:11.223241Z",
"updated_at": "2022-09-04T14:36:11.223264Z",
"structure_string": "Mo4 Cl12 O4\n1.0\n5.633302 0.026915 0.000000\n-0.271384 6.048888 0.000000\n0.000000 0.000000 13.415378\nMo Cl O\n4 12 4\ndirect\n0.007829 0.810053 0.842097 Mo\n0.992171 0.189948 0.157903 Mo\n0.007829 0.310053 0.657904 Mo\n0.992172 0.689948 0.342097 Mo\n0.801721 0.948455 0.692034 Cl\n0.198280 0.551546 0.192034 Cl\n0.198279 0.051546 0.307966 Cl\n0.801721 0.448455 0.807966 Cl\n0.269052 0.118594 0.817616 Cl\n0.730948 0.381407 0.317616 Cl\n0.730948 0.881407 0.182384 Cl\n0.283384 0.142380 0.561849 Cl\n0.716616 0.357621 0.061849 Cl\n0.716616 0.857621 0.438151 Cl\n0.283385 0.642380 0.938151 Cl\n0.269053 0.618594 0.682384 Cl\n0.812929 0.895428 0.924773 O\n0.187071 0.604574 0.424773 O\n0.187071 0.104573 0.075227 O\n0.812929 0.395428 0.575227 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O",
"density": 3.171210458613793,
"density_atomic": 0.04374167599935706,
"volume": 457.2298510074001,
"volume_molar": 13.767512612201957,
"formula_full": "Mo4 Cl12 O4",
"formula_reduced": "MoCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6084963204999998,
"spacegroup": 14
},
{
"id": "jvasp-75722",
"created_at": "2022-09-04T14:36:11.228159Z",
"updated_at": "2022-09-04T14:36:11.228176Z",
"structure_string": "Zr1 Be2 As1\n1.0\n0.000000 3.123306 3.123306\n3.123306 0.000000 3.123306\n3.123306 3.123306 0.000000\nZr Be As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"As"
],
"chemical_system": "As-Be-Zr",
"density": 5.018735391951838,
"density_atomic": 0.06564269291592488,
"volume": 60.93595223345267,
"volume_molar": 9.174122042362209,
"formula_full": "Zr1 Be2 As1",
"formula_reduced": "ZrBe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6546696125,
"spacegroup": 216
},
{
"id": "jvasp-63281",
"created_at": "2022-09-04T14:36:11.228364Z",
"updated_at": "2022-09-04T14:36:11.228382Z",
"structure_string": "Mg4 Ge2 B4 Rh10\n1.0\n9.402870 -0.000000 0.000000\n0.000000 9.402870 -0.000000\n0.000000 -0.000000 2.932757\nMg Ge B Rh\n4 2 4 10\ndirect\n0.825620 0.325620 0.000000 Mg\n0.174380 0.674380 0.000000 Mg\n0.325620 0.174380 0.000000 Mg\n0.674380 0.825620 0.000000 Mg\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.125131 0.374869 0.000000 B\n0.874869 0.625131 0.000000 B\n0.625131 0.125131 0.000000 B\n0.374869 0.874869 0.000000 B\n0.500000 0.000000 0.500001 Rh\n0.072863 0.213247 0.500001 Rh\n0.927137 0.786753 0.500001 Rh\n0.213247 0.927137 0.500001 Rh\n0.786753 0.072863 0.500001 Rh\n0.572863 0.286753 0.500001 Rh\n0.427137 0.713247 0.500001 Rh\n0.713247 0.572863 0.500001 Rh\n0.286753 0.427137 0.500001 Rh\n0.000000 0.500000 0.500001 Rh\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ge",
"B",
"Rh"
],
"chemical_system": "B-Ge-Mg-Rh",
"density": 8.419988899444093,
"density_atomic": 0.07713172639713424,
"volume": 259.29667251351816,
"volume_molar": 7.807605302380147,
"formula_full": "Mg4 Ge2 B4 Rh10",
"formula_reduced": "Mg2GeB2Rh5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6368624216666667,
"spacegroup": 127
},
{
"id": "jvasp-43125",
"created_at": "2022-09-04T14:36:11.231233Z",
"updated_at": "2022-09-04T14:36:11.231264Z",
"structure_string": "Cr3 Sb1 P4 O16\n1.0\n0.000000 4.807774 -0.002033\n5.774522 0.000000 0.000000\n0.000000 -0.037024 -9.962837\nCr Sb P O\n3 1 4 16\ndirect\n0.424195 0.500000 0.227436 Cr\n0.575302 0.000000 0.778409 Cr\n0.931958 0.000000 0.263323 Cr\n0.065383 0.500000 0.723115 Sb\n0.160919 0.000000 0.585106 P\n0.373089 0.000000 0.085527 P\n0.610728 0.500000 0.928653 P\n0.858824 0.500000 0.398307 P\n0.714611 0.288946 0.321988 O\n0.864728 0.000000 0.639486 O\n0.686296 0.000000 0.110316 O\n0.751098 0.712753 0.855519 O\n0.751098 0.287247 0.855519 O\n0.677853 0.500000 0.077457 O\n0.315604 0.000000 0.934371 O\n0.173763 0.500000 0.379922 O\n0.220128 0.792873 0.161741 O\n0.296996 0.500000 0.906449 O\n0.714611 0.711054 0.321988 O\n0.336888 0.202176 0.653513 O\n0.336888 0.797824 0.653513 O\n0.164426 0.000000 0.433157 O\n0.220128 0.207126 0.161741 O\n0.774483 0.500000 0.543443 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Sb",
"P",
"O"
],
"chemical_system": "Cr-O-P-Sb",
"density": 3.948111390437818,
"density_atomic": 0.0867695708496725,
"volume": 276.59466060492315,
"volume_molar": 6.940383248446976,
"formula_full": "Cr3 Sb1 P4 O16",
"formula_reduced": "Cr3Sb(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.4448931791666677,
"spacegroup": 6
},
{
"id": "jvasp-105779",
"created_at": "2022-09-04T14:36:11.234589Z",
"updated_at": "2022-09-04T14:36:11.234610Z",
"structure_string": "Ho1 Mg1 Ag2\n1.0\n4.245519 -0.000000 2.451151\n1.415173 4.002714 2.451151\n0.000000 0.000000 4.902304\nHo Mg Ag\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ag\n0.750000 0.749999 0.749999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Ag"
],
"chemical_system": "Ag-Ho-Mg",
"density": 8.072131086475668,
"density_atomic": 0.04801472028982893,
"volume": 83.30778510954545,
"volume_molar": 12.54228020833787,
"formula_full": "Ho1 Mg1 Ag2",
"formula_reduced": "HoMgAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-70789",
"created_at": "2022-09-04T14:36:11.238908Z",
"updated_at": "2022-09-04T14:36:11.238924Z",
"structure_string": "Sr1 Be1 W2\n1.0\n2.770180 -0.000000 -0.000000\n-0.000000 2.770180 -0.000000\n0.000000 0.000000 9.094313\nSr Be W\n1 1 2\ndirect\n0.500000 0.500000 0.725366 Sr\n0.000000 0.000000 0.458311 Be\n0.000000 0.000000 0.033711 W\n0.500000 0.500000 0.282612 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"W"
],
"chemical_system": "Be-Sr-W",
"density": 11.04773630181398,
"density_atomic": 0.05731576787436289,
"volume": 69.78882336127933,
"volume_molar": 10.506952943910012,
"formula_full": "Sr1 Be1 W2",
"formula_reduced": "SrBeW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4524406025,
"spacegroup": 99
}
]
}