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=-energy_above_hull&page=3520",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3518",
"results": [
{
"id": "jvasp-93254",
"created_at": "2022-09-04T14:36:31.481753Z",
"updated_at": "2022-09-04T14:36:31.481780Z",
"structure_string": "Ca3 As2\n1.0\n5.411278 0.000000 0.000000\n0.000000 5.411278 0.000000\n-0.000000 0.000000 5.411278\nCa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 2.8303326534207796,
"density_atomic": 0.03155516578669821,
"volume": 158.45266140568668,
"volume_molar": 19.084484615633293,
"formula_full": "Ca3 As2",
"formula_reduced": "Ca3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.538886952,
"spacegroup": 221
},
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.3359855883685605,
"density_atomic": 0.030007412008595285,
"volume": 266.6007984196868,
"volume_molar": 20.068844185146745,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5387677287499999,
"spacegroup": 12
},
{
"id": "jvasp-14489",
"created_at": "2022-09-04T14:38:09.458995Z",
"updated_at": "2022-09-04T14:38:09.459019Z",
"structure_string": "Dy1 Zn1\n1.0\n3.545243 -0.000000 -0.000000\n-0.000000 3.545243 -0.000000\n0.000000 -0.000000 3.545243\nDy Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Zn"
],
"chemical_system": "Dy-Zn",
"density": 8.493223416341925,
"density_atomic": 0.04488404313740537,
"volume": 44.559265614225474,
"volume_molar": 13.417108484554683,
"formula_full": "Dy1 Zn1",
"formula_reduced": "DyZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5383191413043478,
"spacegroup": 221
},
{
"id": "jvasp-42143",
"created_at": "2022-09-04T14:37:40.131881Z",
"updated_at": "2022-09-04T14:37:40.131893Z",
"structure_string": "Li2 Pm1 In1\n1.0\n0.000004 3.458182 3.458177\n3.458182 0.000006 3.458175\n3.458182 3.458180 0.000006\nLi Pm In\n2 1 1\ndirect\n1.000001 0.000000 0.999997 Li\n0.500001 0.499999 0.500000 Li\n0.750002 0.749999 0.749998 Pm\n0.250000 0.249999 0.250002 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"In"
],
"chemical_system": "In-Li-Pm",
"density": 5.494804498956679,
"density_atomic": 0.04836022821020644,
"volume": 82.71259561913728,
"volume_molar": 12.4526723360851,
"formula_full": "Li2 Pm1 In1",
"formula_reduced": "Li2PmIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.53831028625,
"spacegroup": 225
},
{
"id": "jvasp-71021",
"created_at": "2022-09-04T14:35:48.996085Z",
"updated_at": "2022-09-04T14:35:48.996107Z",
"structure_string": "Be1 Zn2 Fe1\n1.0\n2.657151 -0.000000 0.000000\n-0.000000 2.657151 0.000000\n-0.000000 -0.000000 6.793561\nBe Zn Fe\n1 2 1\ndirect\n0.000000 0.000000 0.517211 Be\n0.000000 0.000000 0.981812 Zn\n0.500000 0.500000 0.283556 Zn\n0.500000 0.500000 0.717420 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Fe"
],
"chemical_system": "Be-Fe-Zn",
"density": 6.774151331581561,
"density_atomic": 0.08339308530690098,
"volume": 47.965607523445236,
"volume_molar": 7.221391003627556,
"formula_full": "Be1 Zn2 Fe1",
"formula_reduced": "BeZn2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5382805999999999,
"spacegroup": 99
},
{
"id": "jvasp-122581",
"created_at": "2022-09-04T14:38:54.757564Z",
"updated_at": "2022-09-04T14:38:54.757591Z",
"structure_string": "Li1 Sn7\n1.0\n6.558351 0.000000 -0.000000\n0.000000 6.558351 -0.000000\n-0.000000 0.000000 6.558351\nLi Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Li\n0.242454 0.242454 0.742454 Sn\n0.000000 0.500000 0.000000 Sn\n0.242454 0.757546 0.257546 Sn\n0.500000 0.000000 0.000000 Sn\n0.757546 0.242454 0.257546 Sn\n0.500000 0.500000 0.500000 Sn\n0.757546 0.757546 0.742454 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Sn"
],
"chemical_system": "Li-Sn",
"density": 4.9324537384368625,
"density_atomic": 0.02835998640936334,
"volume": 282.08758229019173,
"volume_molar": 21.234639089995223,
"formula_full": "Li1 Sn7",
"formula_reduced": "LiSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.5378614875000001,
"spacegroup": 215
},
{
"id": "jvasp-74665",
"created_at": "2022-09-04T14:35:55.202369Z",
"updated_at": "2022-09-04T14:35:55.202403Z",
"structure_string": "Ti1 Be1 Cd2\n1.0\n-2.287264 2.287264 3.238306\n2.287264 -2.287264 3.238306\n2.287264 2.287264 -3.238306\nTi Be Cd\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ti\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cd\n0.250000 0.749999 0.499999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Ti",
"density": 6.902831969846191,
"density_atomic": 0.05902683898487507,
"volume": 67.76578364673996,
"volume_molar": 10.202377195809355,
"formula_full": "Ti1 Be1 Cd2",
"formula_reduced": "TiBeCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5377959833333333,
"spacegroup": 216
},
{
"id": "jvasp-38845",
"created_at": "2022-09-04T14:38:06.172185Z",
"updated_at": "2022-09-04T14:38:06.172204Z",
"structure_string": "Er1 Al1 Ag2\n1.0\n-0.000000 3.388286 3.388286\n3.388286 0.000000 3.388286\n3.388286 3.388286 -0.000000\nEr Al Ag\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Er\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Er",
"density": 8.750610351316393,
"density_atomic": 0.05141499662854594,
"volume": 77.79831298829987,
"volume_molar": 11.712809792651953,
"formula_full": "Er1 Al1 Ag2",
"formula_reduced": "ErAlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5373718299999999,
"spacegroup": 225
},
{
"id": "jvasp-85558",
"created_at": "2022-09-04T14:35:55.348177Z",
"updated_at": "2022-09-04T14:35:55.348203Z",
"structure_string": "Ce4 Cu4\n1.0\n4.306860 0.000040 0.000393\n0.000048 6.074580 0.000225\n0.000270 -0.000298 6.237815\nCe Cu\n4 4\ndirect\n0.750010 0.895068 0.883152 Ce\n0.249990 0.395087 0.616845 Ce\n0.249991 0.104932 0.116849 Ce\n0.750012 0.604912 0.383154 Ce\n0.250010 0.599219 0.068081 Cu\n0.749991 0.400780 0.931919 Cu\n0.250009 0.900796 0.568046 Cu\n0.749992 0.099203 0.431953 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Cu"
],
"chemical_system": "Ce-Cu",
"density": 8.289142258345809,
"density_atomic": 0.049020810437561714,
"volume": 163.19599632465642,
"volume_molar": 12.284865766694045,
"formula_full": "Ce4 Cu4",
"formula_reduced": "CeCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5372682000000001,
"spacegroup": 62
},
{
"id": "jvasp-15815",
"created_at": "2022-09-04T14:36:04.996734Z",
"updated_at": "2022-09-04T14:36:04.996755Z",
"structure_string": "Th1 Zn2\n1.0\n2.265165 -3.923381 0.000000\n2.265165 3.923381 -0.000000\n-0.000000 0.000000 3.682798\nTh Zn\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666668 0.333334 0.500000 Zn\n0.333334 0.666668 0.500000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 9.20481907410207,
"density_atomic": 0.04583033516408565,
"volume": 65.45882741767316,
"volume_molar": 13.140075756459169,
"formula_full": "Th1 Zn2",
"formula_reduced": "ThZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5372626000000005,
"spacegroup": 191
},
{
"id": "jvasp-50811",
"created_at": "2022-09-04T14:35:50.898290Z",
"updated_at": "2022-09-04T14:35:50.898322Z",
"structure_string": "K1 Tm1 O2\n1.0\n3.402165 -0.000000 -0.000000\n-1.701082 0.982121 6.177928\n1.701082 -2.946361 0.000000\nK Tm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500000 Tm\n0.228257 0.684771 0.228258 O\n0.771741 0.315230 0.771742 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tm",
"O"
],
"chemical_system": "K-O-Tm",
"density": 6.436248750956152,
"density_atomic": 0.06459156675523166,
"volume": 61.92758901727702,
"volume_molar": 9.323416449736808,
"formula_full": "K1 Tm1 O2",
"formula_reduced": "KTmO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5371798124999998,
"spacegroup": 166
},
{
"id": "jvasp-34678",
"created_at": "2022-09-04T14:38:15.278059Z",
"updated_at": "2022-09-04T14:38:15.278079Z",
"structure_string": "Li8 S4\n1.0\n3.895854 0.000000 0.000000\n0.000000 6.747682 0.000000\n0.000000 0.000000 7.044216\nLi S\n8 4\ndirect\n0.723976 0.416678 0.592177 Li\n0.223976 0.916678 0.907824 Li\n0.223976 0.583322 0.407824 Li\n0.224701 0.916692 0.592207 Li\n0.224701 0.583307 0.092206 Li\n0.724700 0.416692 0.907794 Li\n0.723976 0.083322 0.092176 Li\n0.724700 0.083308 0.407794 Li\n0.224323 0.583316 0.750009 S\n0.724322 0.416683 0.249992 S\n0.724322 0.083317 0.749992 S\n0.224323 0.916683 0.250008 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.6480724686196426,
"density_atomic": 0.0648024314458268,
"volume": 185.17823686957948,
"volume_molar": 9.293078400976912,
"formula_full": "Li8 S4",
"formula_reduced": "Li2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5371666666666667,
"spacegroup": 194
}
]
}