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&page=1227",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=1225",
"results": [
{
"id": "jvasp-115460",
"created_at": "2022-09-04T14:38:46.402809Z",
"updated_at": "2022-09-04T14:38:46.402842Z",
"structure_string": "Au3 S1\n1.0\n4.935631 -0.175617 0.185847\n1.595511 -2.385678 -0.192158\n1.925637 -1.611149 -6.966144\nAu S\n3 1\ndirect\n0.908459 0.059958 0.027340 Au\n0.902732 0.627485 0.466537 Au\n0.421103 0.828494 0.246617 Au\n0.265155 -0.012130 0.743992 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 13.09668349823869,
"density_atomic": 0.05064175909587662,
"volume": 78.98619778248758,
"volume_molar": 11.891650028583502,
"formula_full": "Au3 S1",
"formula_reduced": "Au3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8266506775,
"spacegroup": 25
},
{
"id": "jvasp-29590",
"created_at": "2022-09-04T14:36:41.254610Z",
"updated_at": "2022-09-04T14:36:41.254641Z",
"structure_string": "B4 N4\n1.0\n3.550709 -0.202991 0.000000\n-1.261175 4.580542 0.000000\n0.000000 0.000000 4.935103\nB N\n4 4\ndirect\n0.858311 0.358394 0.357292 B\n0.141690 0.641606 0.642707 B\n0.641690 0.141606 0.857292 B\n0.358312 0.858394 0.142707 B\n0.158101 0.657016 0.343771 N\n0.658100 0.157016 0.156229 N\n0.841901 0.342984 0.656228 N\n0.341901 0.842984 0.843771 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.086569518573892,
"density_atomic": 0.101263335044906,
"volume": 79.00194079577113,
"volume_molar": 5.947010097316502,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6840629166666665,
"spacegroup": 14
},
{
"id": "jvasp-81797",
"created_at": "2022-09-04T14:37:18.565741Z",
"updated_at": "2022-09-04T14:37:18.565763Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-11.106877 3.949670 0.042485\n-7.860797 1.320373 2.437645\n-6.471504 5.253485 0.028348\nHf In Mo\n2 1 1\ndirect\n0.750167 -0.000046 -0.000046 Hf\n0.249846 0.000039 0.000040 Hf\n0.499995 0.000000 0.000001 In\n-0.000005 0.000004 0.000003 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Mo"
],
"chemical_system": "Hf-In-Mo",
"density": 11.933237808777243,
"density_atomic": 0.05063155035022848,
"volume": 79.00212362314024,
"volume_molar": 11.894047719936793,
"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.089767967499999,
"spacegroup": 225
},
{
"id": "jvasp-39581",
"created_at": "2022-09-04T14:37:48.107609Z",
"updated_at": "2022-09-04T14:37:48.107626Z",
"structure_string": "Zn2 P2\n1.0\n1.805786 -3.127714 -0.000000\n1.805786 3.127714 0.000000\n0.000000 0.000000 6.993879\nZn P\n2 2\ndirect\n0.333334 0.666668 0.353599 Zn\n0.666668 0.333334 0.853599 Zn\n0.333334 0.666668 0.021401 P\n0.666668 0.333334 0.521401 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"P"
],
"chemical_system": "P-Zn",
"density": 4.051697700026254,
"density_atomic": 0.050631240210689196,
"volume": 79.00260754733647,
"volume_molar": 11.894120576427467,
"formula_full": "Zn2 P2",
"formula_reduced": "ZnP",
"formula_anonymous": "AB",
"energy_above_hull": 0.49301295,
"spacegroup": 186
},
{
"id": "jvasp-61654",
"created_at": "2022-09-04T14:35:44.059093Z",
"updated_at": "2022-09-04T14:35:44.059114Z",
"structure_string": "Sc1 B2 Ir3\n1.0\n4.714869 2.721753 -0.050238\n-4.714869 2.721753 -0.050238\n0.000000 0.056851 3.077234\nSc B Ir\n1 2 3\ndirect\n0.499999 0.499999 0.499999 Sc\n0.166673 0.833326 0.499999 B\n0.833326 0.166673 0.499999 B\n0.000000 0.000000 0.000000 Ir\n0.500000 -0.000000 -0.000000 Ir\n-0.000000 0.500000 -0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 13.519409535926263,
"density_atomic": 0.07594414902068623,
"volume": 79.00542803324684,
"volume_molar": 7.929696807004375,
"formula_full": "Sc1 B2 Ir3",
"formula_reduced": "ScB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.604958952777778,
"spacegroup": 191
},
{
"id": "jvasp-16442",
"created_at": "2022-09-04T14:37:49.740231Z",
"updated_at": "2022-09-04T14:37:49.740260Z",
"structure_string": "Dy1 Pb1 Au1\n1.0\n4.171158 0.000000 2.408220\n1.390386 3.932606 2.408220\n0.000000 0.000000 4.816440\nDy Pb Au\n1 1 1\ndirect\n0.500001 0.500001 0.500000 Dy\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Dy",
"Pb",
"Au"
],
"chemical_system": "Au-Dy-Pb",
"density": 11.910046481396707,
"density_atomic": 0.03797152345892137,
"volume": 79.00657457806457,
"volume_molar": 15.859623769151415,
"formula_full": "Dy1 Pb1 Au1",
"formula_reduced": "DyPbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3840816299999999,
"spacegroup": 216
},
{
"id": "jvasp-93688",
"created_at": "2022-09-04T14:35:57.265232Z",
"updated_at": "2022-09-04T14:35:57.265253Z",
"structure_string": "Sc1 B2 Ir3\n1.0\n0.055987 0.000000 3.077295\n-5.443448 0.000000 0.099066\n-2.721724 -4.714959 0.049533\nSc B Ir\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Sc\n0.499999 0.166657 0.666683 B\n0.500000 0.833341 0.333317 B\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n-0.000001 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 13.519161303467019,
"density_atomic": 0.07594275459566889,
"volume": 79.00687869362837,
"volume_molar": 7.929842408354582,
"formula_full": "Sc1 B2 Ir3",
"formula_reduced": "ScB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.604950619444445,
"spacegroup": 191
},
{
"id": "jvasp-15139",
"created_at": "2022-09-04T14:36:42.210943Z",
"updated_at": "2022-09-04T14:36:42.210952Z",
"structure_string": "Er1 B2 Ru3\n1.0\n2.742801 -4.750671 -0.000000\n2.742801 4.750671 -0.000000\n-0.000000 0.000000 3.031742\nEr B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 -0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"B",
"Ru"
],
"chemical_system": "B-Er-Ru",
"density": 10.342440461869193,
"density_atomic": 0.07594160301832742,
"volume": 79.0080767527647,
"volume_molar": 7.929962656367213,
"formula_full": "Er1 B2 Ru3",
"formula_reduced": "ErB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.327019444444446,
"spacegroup": 191
},
{
"id": "jvasp-101764",
"created_at": "2022-09-04T14:37:02.236289Z",
"updated_at": "2022-09-04T14:37:02.236308Z",
"structure_string": "Fe4 O4\n1.0\n3.032430 0.056298 -0.028344\n-0.105922 4.970756 -1.707295\n0.051099 -0.047768 5.255883\nFe O\n4 4\ndirect\n0.500001 -0.000000 0.500001 Fe\n0.500001 0.500000 0.000001 Fe\n-0.000000 0.000000 -0.000001 Fe\n-0.000000 0.500000 0.499998 Fe\n0.000011 0.249995 0.750031 O\n0.500010 0.249995 0.250030 O\n-0.000009 0.750007 0.249967 O\n0.499990 0.750004 0.749970 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 6.039719992175245,
"density_atomic": 0.10125227284641482,
"volume": 79.01057206029195,
"volume_molar": 5.947659830940016,
"formula_full": "Fe4 O4",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy_above_hull": 1.4375044999999995,
"spacegroup": 225
},
{
"id": "jvasp-99611",
"created_at": "2022-09-04T14:36:08.222100Z",
"updated_at": "2022-09-04T14:36:08.222126Z",
"structure_string": "Zr1 Nb1 Co4\n1.0\n4.171247 -0.000000 2.408271\n1.390416 3.932689 2.408271\n-0.000000 -0.000000 4.816541\nZr Nb Co\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Nb\n0.625152 0.625152 0.124544 Co\n0.625152 0.124545 0.625151 Co\n0.124545 0.625152 0.625151 Co\n0.625152 0.625152 0.625151 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"Co"
],
"chemical_system": "Co-Nb-Zr",
"density": 8.824012106524048,
"density_atomic": 0.07593823138728692,
"volume": 79.01158468387085,
"volume_molar": 7.930314743948841,
"formula_full": "Zr1 Nb1 Co4",
"formula_reduced": "ZrNbCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.200804583333333,
"spacegroup": 216
},
{
"id": "jvasp-123529",
"created_at": "2022-09-04T14:38:54.527476Z",
"updated_at": "2022-09-04T14:38:54.527500Z",
"structure_string": "U3 Si1\n1.0\n2.973715 0.000000 0.000000\n0.000000 5.335748 0.000000\n0.000000 0.000000 4.979625\nU Si\n3 1\ndirect\n0.500001 0.309485 0.250000 U\n0.500001 0.681461 0.749999 U\n0.000000 0.837416 0.250000 U\n0.000000 0.171638 0.749999 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 15.59776975607628,
"density_atomic": 0.05062542695547803,
"volume": 79.01167931912467,
"volume_molar": 11.895486363593742,
"formula_full": "U3 Si1",
"formula_reduced": "U3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 5.21923165,
"spacegroup": 25
},
{
"id": "jvasp-25393",
"created_at": "2022-09-04T14:37:46.272934Z",
"updated_at": "2022-09-04T14:37:46.272960Z",
"structure_string": "Li4\n1.0\n3.033474 0.000000 0.000000\n-1.516738 2.627066 0.000000\n0.000000 0.000000 9.914723\nLi\n4\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666666 0.250000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.750000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.583497886379392,
"density_atomic": 0.05062536242837511,
"volume": 79.01178002743605,
"volume_molar": 11.895501525584415,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy_above_hull": 9.00000000000345e-05,
"spacegroup": 194
}
]
}