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=volume_molar&page=3999",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3997",
"results": [
{
"id": "jvasp-111111",
"created_at": "2022-09-04T14:38:48.598850Z",
"updated_at": "2022-09-04T14:38:48.598878Z",
"structure_string": "Ag1 Sn1 Te2\n1.0\n4.342839 -0.000000 0.000000\n0.000000 4.342839 0.000000\n-0.000000 -0.000000 6.088909\nAg Sn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 -0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sn",
"Te"
],
"chemical_system": "Ag-Sn-Te",
"density": 6.966414320921765,
"density_atomic": 0.03483156991957598,
"volume": 114.83834949833619,
"volume_molar": 17.289317633126398,
"formula_full": "Ag1 Sn1 Te2",
"formula_reduced": "AgSnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4591561233333334,
"spacegroup": 123
},
{
"id": "jvasp-81648",
"created_at": "2022-09-04T14:37:16.252093Z",
"updated_at": "2022-09-04T14:37:16.252118Z",
"structure_string": "Y2 Mg1 Tl1\n1.0\n-12.516620 3.202233 -2.024977\n-8.741980 1.904595 1.642436\n-7.690243 4.855183 -0.193668\nY Mg Tl\n2 1 1\ndirect\n0.758587 0.995452 0.995452 Y\n0.241404 0.004557 0.004551 Y\n-0.000006 0.000006 0.000013 Mg\n0.500018 -0.000014 -0.000019 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 5.877364373079979,
"density_atomic": 0.03482835479924065,
"volume": 114.8489506052468,
"volume_molar": 17.290913667077085,
"formula_full": "Y2 Mg1 Tl1",
"formula_reduced": "Y2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0444456375,
"spacegroup": 12
},
{
"id": "jvasp-10265",
"created_at": "2022-09-04T14:38:14.283363Z",
"updated_at": "2022-09-04T14:38:14.283383Z",
"structure_string": "Ge1 Te7 As4\n1.0\n2.070516 -3.586240 0.000000\n2.070516 3.586240 -0.000000\n0.000000 0.000000 23.201205\nGe Te As\n1 7 4\ndirect\n0.000000 -0.000000 0.500000 Ge\n0.000000 -0.000000 0.273957 Te\n0.000000 -0.000000 0.726042 Te\n0.666668 0.333334 0.851166 Te\n0.333334 0.666668 0.148834 Te\n0.333334 0.666668 0.423283 Te\n0.666668 0.333334 0.576717 Te\n0.000000 0.000000 0.000000 Te\n0.666668 0.333334 0.080044 As\n0.333334 0.666668 0.919956 As\n0.333334 0.666668 0.658118 As\n0.666668 0.333334 0.341881 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ge",
"Te",
"As"
],
"chemical_system": "As-Ge-Te",
"density": 6.099044872612227,
"density_atomic": 0.03482753744571742,
"volume": 344.55493784776866,
"volume_molar": 17.29131946060262,
"formula_full": "Ge1 Te7 As4",
"formula_reduced": "GeTe7As4",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.6719014430555554,
"spacegroup": 164
},
{
"id": "jvasp-28554",
"created_at": "2022-09-04T14:37:51.194297Z",
"updated_at": "2022-09-04T14:37:51.194318Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.354855 -0.000250 -0.000653\n-1.677644 2.905192 0.000642\n-0.005541 0.003229 26.515366\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.666524 0.332186 0.530272 Te\n0.666608 0.331788 0.673389 Te\n0.332603 0.666304 0.100008 Mo\n0.333354 0.665412 0.601906 Mo\n0.667486 0.335081 0.339048 W\n0.335192 0.668552 0.402129 Se\n0.333344 0.668504 0.275974 Se\n0.666472 0.332946 0.042867 S\n0.665030 0.332423 0.157246 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.480943769084113,
"density_atomic": 0.03482691466033787,
"volume": 258.4208244622232,
"volume_molar": 17.291628669186217,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.6668093407407407,
"spacegroup": 156
},
{
"id": "jvasp-100376",
"created_at": "2022-09-04T14:36:50.061910Z",
"updated_at": "2022-09-04T14:36:50.061942Z",
"structure_string": "Li1 Sb1 Te2\n1.0\n4.360422 0.000000 0.000000\n0.000000 4.360422 0.000000\n0.000000 0.000000 6.040860\nLi Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Te"
],
"chemical_system": "Li-Sb-Te",
"density": 5.550249746765762,
"density_atomic": 0.034826046548176254,
"volume": 114.8565627300429,
"volume_molar": 17.292059699252203,
"formula_full": "Li1 Sb1 Te2",
"formula_reduced": "LiSbTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9276429083333336,
"spacegroup": 123
},
{
"id": "jvasp-106508",
"created_at": "2022-09-04T14:36:52.075629Z",
"updated_at": "2022-09-04T14:36:52.075655Z",
"structure_string": "Ce3 Pm1\n1.0\n4.860934 0.000000 0.000000\n0.000000 4.860934 0.000000\n0.000000 0.000000 4.860934\nCe Pm\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 -0.000000 Ce\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pm"
],
"chemical_system": "Ce-Pm",
"density": 8.173457040591883,
"density_atomic": 0.03482577726375069,
"volume": 114.85745083896528,
"volume_molar": 17.292193407175724,
"formula_full": "Ce3 Pm1",
"formula_reduced": "Ce3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 2.03512441875,
"spacegroup": 221
},
{
"id": "jvasp-65066",
"created_at": "2022-09-04T14:35:53.682589Z",
"updated_at": "2022-09-04T14:35:53.682609Z",
"structure_string": "Be1 Re1 Pb4\n1.0\n0.000000 4.416651 4.416651\n4.416651 -0.000000 4.416651\n4.416651 4.416651 0.000000\nBe Re Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Re\n0.126333 0.624556 0.624556 Pb\n0.624556 0.624556 0.624556 Pb\n0.624556 0.126333 0.624556 Pb\n0.624556 0.624556 0.126333 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Re",
"Pb"
],
"chemical_system": "Be-Pb-Re",
"density": 9.868427268216067,
"density_atomic": 0.03482106145325518,
"volume": 172.30950894631908,
"volume_molar": 17.294535286020214,
"formula_full": "Be1 Re1 Pb4",
"formula_reduced": "BeRePb4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.057494563333333,
"spacegroup": 216
},
{
"id": "jvasp-122110",
"created_at": "2022-09-04T14:38:55.303243Z",
"updated_at": "2022-09-04T14:38:55.303270Z",
"structure_string": "Nd16 Cd4 Ir4\n1.0\n8.586709 -0.000000 4.957538\n2.862236 8.095626 4.957538\n-0.000000 -0.000000 9.915077\nNd Cd Ir\n16 4 4\ndirect\n0.349035 0.349035 0.349035 Nd\n0.938318 0.938318 0.561682 Nd\n0.561682 0.561682 0.938318 Nd\n0.938318 0.561682 0.938318 Nd\n0.561683 0.938318 0.561682 Nd\n0.938318 0.561682 0.561682 Nd\n0.809329 0.809329 0.190671 Nd\n0.190671 0.190671 0.809329 Nd\n0.561683 0.938318 0.938318 Nd\n0.190671 0.809329 0.190671 Nd\n0.190671 0.809329 0.809329 Nd\n0.809329 0.190671 0.190671 Nd\n0.952896 0.349035 0.349035 Nd\n0.349035 0.952896 0.349035 Nd\n0.349035 0.349035 0.952896 Nd\n0.809329 0.190671 0.809329 Nd\n0.580478 0.580478 0.580478 Cd\n0.580478 0.580478 0.258565 Cd\n0.580478 0.258565 0.580478 Cd\n0.258565 0.580478 0.580478 Cd\n0.141763 0.574710 0.141763 Ir\n0.141763 0.141763 0.141763 Ir\n0.141763 0.141763 0.574710 Ir\n0.574710 0.141763 0.141763 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Nd",
"density": 8.49582243471414,
"density_atomic": 0.034820737792477734,
"volume": 689.2444422927961,
"volume_molar": 17.294696039728812,
"formula_full": "Nd16 Cd4 Ir4",
"formula_reduced": "Nd4CdIr",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 216
},
{
"id": "jvasp-91616",
"created_at": "2022-09-04T14:36:13.106210Z",
"updated_at": "2022-09-04T14:36:13.106235Z",
"structure_string": "Na4 Hg2 Pb2\n1.0\n0.000000 -0.000000 6.102470\n4.818849 3.906414 0.000000\n-4.818849 3.906414 0.000000\nNa Hg Pb\n4 2 2\ndirect\n0.250000 0.137045 0.511216 Na\n0.750000 0.488783 0.862954 Na\n0.750000 0.862954 0.488783 Na\n0.250000 0.511216 0.137045 Na\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.665043 0.665043 Pb\n0.750000 0.334956 0.334956 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Pb"
],
"chemical_system": "Hg-Na-Pb",
"density": 6.5592955116049945,
"density_atomic": 0.03482031958013342,
"volume": 229.7509068401648,
"volume_molar": 17.29490375911399,
"formula_full": "Na4 Hg2 Pb2",
"formula_reduced": "Na2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-96840",
"created_at": "2022-09-04T14:36:33.197879Z",
"updated_at": "2022-09-04T14:36:33.197889Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.290520 0.108827 10.774529\n2.154919 3.711702 10.774529\n0.183597 0.108827 11.595919\nCa Si Br\n3 1 2\ndirect\n0.119957 0.119957 0.119957 Ca\n-0.000501 -0.000501 -0.000501 Ca\n0.900727 0.900728 0.900725 Ca\n0.283823 0.283823 0.283822 Si\n0.503651 0.503651 0.503650 Br\n0.735344 0.735344 0.735342 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.9693005972614332,
"density_atomic": 0.03481976680751943,
"volume": 172.3159156454857,
"volume_molar": 17.295178320090017,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.125311345,
"spacegroup": 160
},
{
"id": "jvasp-110581",
"created_at": "2022-09-04T14:38:39.164882Z",
"updated_at": "2022-09-04T14:38:39.164900Z",
"structure_string": "In1 Ag1 Se2\n1.0\n4.130505 -0.031529 6.135249\n1.849491 3.693433 6.135249\n-0.051488 -0.031529 7.395925\nIn Ag Se\n1 1 2\ndirect\n0.507882 0.507881 0.507881 In\n0.988934 0.988932 0.988933 Ag\n0.122736 0.122736 0.122736 Se\n0.630449 0.630448 0.630449 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se",
"density": 5.501515050179659,
"density_atomic": 0.034819083910761,
"volume": 114.87953015225025,
"volume_molar": 17.29551752548788,
"formula_full": "In1 Ag1 Se2",
"formula_reduced": "InAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4248684908333332,
"spacegroup": 160
},
{
"id": "jvasp-91734",
"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Pb"
],
"chemical_system": "Mg-Na-Pb",
"density": 4.010871221002233,
"density_atomic": 0.03481856134659244,
"volume": 229.76250857598774,
"volume_molar": 17.29577710019132,
"formula_full": "Na4 Mg2 Pb2",
"formula_reduced": "Na2MgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}