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=created_at&page=1134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1132",
"results": [
{
"id": "jvasp-22651",
"created_at": "2022-09-04T14:36:18.451431Z",
"updated_at": "2022-09-04T14:36:18.451463Z",
"structure_string": "Sn4 Cl8\n1.0\n4.408712 0.000000 0.000000\n0.000000 7.752880 0.000000\n0.000000 0.000000 9.233095\nSn Cl\n4 8\ndirect\n0.750000 0.767682 0.577380 Sn\n0.250000 0.232318 0.422620 Sn\n0.250000 0.732318 0.077380 Sn\n0.750000 0.267682 0.922621 Sn\n0.250000 0.519739 0.844357 Cl\n0.250000 0.142729 0.078791 Cl\n0.250000 0.019739 0.655644 Cl\n0.750000 0.480261 0.155644 Cl\n0.750000 0.857271 0.921209 Cl\n0.750000 0.357271 0.578791 Cl\n0.250000 0.642729 0.421209 Cl\n0.750000 0.980261 0.344356 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn",
"density": 3.9908184759046823,
"density_atomic": 0.038024118140576824,
"volume": 315.58917305157416,
"volume_molar": 15.837686853738154,
"formula_full": "Sn4 Cl8",
"formula_reduced": "SnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-69893",
"created_at": "2022-09-04T14:36:18.457174Z",
"updated_at": "2022-09-04T14:36:18.457199Z",
"structure_string": "Be2 In1 Hg1\n1.0\n2.991161 0.000000 0.000000\n0.000000 2.991161 0.000000\n0.000000 0.000000 7.403586\nBe In Hg\n2 1 1\ndirect\n0.000000 0.000000 0.776719 Be\n0.000000 0.000000 0.223281 Be\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Hg"
],
"chemical_system": "Be-Hg-In",
"density": 8.358630823844658,
"density_atomic": 0.060386281398242,
"volume": 66.24021064685812,
"volume_molar": 9.972696812185758,
"formula_full": "Be2 In1 Hg1",
"formula_reduced": "Be2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6087241124999999,
"spacegroup": 123
},
{
"id": "jvasp-18916",
"created_at": "2022-09-04T14:36:18.459360Z",
"updated_at": "2022-09-04T14:36:18.459374Z",
"structure_string": "Ti1 C1\n1.0\n2.656819 0.000000 1.533915\n0.885607 2.504873 1.533915\n-0.000000 -0.000000 3.067830\nTi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.499998 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.870070380241876,
"density_atomic": 0.09796050733765166,
"volume": 20.416390792121685,
"volume_molar": 6.147518958066234,
"formula_full": "Ti1 C1",
"formula_reduced": "TiC",
"formula_anonymous": "AB",
"energy_above_hull": 2.821544166666666,
"spacegroup": 225
},
{
"id": "jvasp-86769",
"created_at": "2022-09-04T14:36:18.459683Z",
"updated_at": "2022-09-04T14:36:18.459713Z",
"structure_string": "Na6 Zn1 Sn2\n1.0\n5.453042 0.000000 0.000000\n-2.726521 4.975949 -0.700054\n0.000000 0.012970 9.313957\nNa Zn Sn\n6 1 2\ndirect\n0.474177 0.948353 0.280053 Na\n0.171552 0.343105 0.594857 Na\n0.298722 0.597445 0.936248 Na\n0.828448 0.656896 0.405144 Na\n0.525823 0.051647 0.719948 Na\n0.701277 0.402555 0.063753 Na\n0.000000 0.000000 0.000000 Zn\n0.149111 0.298222 0.252567 Sn\n0.850889 0.701778 0.747433 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Sn"
],
"chemical_system": "Na-Sn-Zn",
"density": 2.8955075971777386,
"density_atomic": 0.03560479113439496,
"volume": 252.77496969518285,
"volume_molar": 16.913849423434726,
"formula_full": "Na6 Zn1 Sn2",
"formula_reduced": "Na6ZnSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.333333333334354e-06,
"spacegroup": 12
},
{
"id": "jvasp-69720",
"created_at": "2022-09-04T14:36:18.461579Z",
"updated_at": "2022-09-04T14:36:18.461596Z",
"structure_string": "Be2 Ni1 Sn1\n1.0\n-1.833326 1.833326 3.718339\n1.833326 -1.833326 3.718339\n1.833326 1.833326 -3.718339\nBe Ni Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Ni\n0.750001 0.250000 0.500001 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Sn"
],
"chemical_system": "Be-Ni-Sn",
"density": 6.491528860295206,
"density_atomic": 0.0800150393325071,
"volume": 49.990602183894076,
"volume_molar": 7.526261075714338,
"formula_full": "Be2 Ni1 Sn1",
"formula_reduced": "Be2NiSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3295690749999998,
"spacegroup": 119
},
{
"id": "jvasp-65003",
"created_at": "2022-09-04T14:36:18.467263Z",
"updated_at": "2022-09-04T14:36:18.467296Z",
"structure_string": "Be2 Tl1 Rh1\n1.0\n-1.815483 1.815483 4.112140\n1.815483 -1.815483 4.112140\n1.815483 1.815483 -4.112140\nBe Tl Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Tl\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Rh"
],
"chemical_system": "Be-Rh-Tl",
"density": 9.96410920275091,
"density_atomic": 0.07378154323655209,
"volume": 54.214100499030515,
"volume_molar": 8.1621236095487,
"formula_full": "Be2 Tl1 Rh1",
"formula_reduced": "Be2TlRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5276019500000002,
"spacegroup": 119
},
{
"id": "jvasp-92609",
"created_at": "2022-09-04T14:36:18.470892Z",
"updated_at": "2022-09-04T14:36:18.470919Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.253301 0.000000 -0.000000\n0.000000 4.253301 -0.000000\n0.000000 -0.000000 4.253301\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 4.260104097384789,
"density_atomic": 0.06498178691992092,
"volume": 76.94463690513246,
"volume_molar": 9.267428683395968,
"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2243276698505746,
"spacegroup": 221
},
{
"id": "jvasp-92929",
"created_at": "2022-09-04T14:36:18.487020Z",
"updated_at": "2022-09-04T14:36:18.487045Z",
"structure_string": "Mg6 Ga1 W1\n1.0\n6.098377 0.152380 0.000000\n-2.917223 5.052778 0.000000\n0.000000 0.000000 4.935738\nMg Ga W\n6 1 1\ndirect\n0.656080 0.327046 0.250000 Mg\n0.656081 0.829032 0.250000 Mg\n0.334029 0.178168 0.750000 Mg\n0.334029 0.655862 0.750000 Mg\n0.855816 0.177908 0.750000 Mg\n0.851084 0.675542 0.750000 Mg\n0.160015 0.830006 0.250000 Ga\n0.152871 0.326436 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"W"
],
"chemical_system": "Ga-Mg-W",
"density": 4.298653978951853,
"density_atomic": 0.05185288545112841,
"volume": 154.28263886182455,
"volume_molar": 11.61389710062692,
"formula_full": "Mg6 Ga1 W1",
"formula_reduced": "Mg6GaW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3689433281249999,
"spacegroup": 38
},
{
"id": "jvasp-95309",
"created_at": "2022-09-04T14:36:18.487505Z",
"updated_at": "2022-09-04T14:36:18.487540Z",
"structure_string": "Li2 Ca2 Ta3 O10\n1.0\n3.937092 0.000000 -0.570279\n-0.082603 3.936225 -0.570279\n-0.067081 -0.068503 13.412470\nLi Ca Ta O\n2 2 3 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250001 0.749999 0.500000 Li\n0.584853 0.584852 0.169704 Ca\n0.415148 0.415148 0.830295 Ca\n0.844167 0.844166 0.688332 Ta\n0.000000 0.000000 0.000000 Ta\n0.155833 0.155833 0.311668 Ta\n0.500000 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n0.075465 0.075465 0.150931 O\n0.645339 0.145339 0.290680 O\n0.145340 0.645339 0.290680 O\n0.228142 0.228142 0.456283 O\n0.771859 0.771858 0.543717 O\n0.854661 0.354661 0.709320 O\n0.354661 0.854660 0.709320 O\n0.924536 0.924535 0.849069 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-Li-O-Ta",
"density": 6.375563939941951,
"density_atomic": 0.08190829364888629,
"volume": 207.54918998646664,
"volume_molar": 7.35229668660285,
"formula_full": "Li2 Ca2 Ta3 O10",
"formula_reduced": "Li2Ca2Ta3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 3.1211896141176467,
"spacegroup": 139
},
{
"id": "jvasp-91495",
"created_at": "2022-09-04T14:36:18.488686Z",
"updated_at": "2022-09-04T14:36:18.488721Z",
"structure_string": "Na8 Li12 Fe4 O16\n1.0\n6.554113 0.000000 0.000000\n0.000000 7.941422 -0.000000\n0.000000 -0.000000 8.270408\nNa Li Fe O\n8 12 4 16\ndirect\n0.758230 0.000000 0.500000 Na\n0.000000 0.256464 0.750227 Na\n0.000000 0.743535 0.249773 Na\n0.500000 0.756464 0.749773 Na\n0.500000 0.243536 0.250227 Na\n0.741769 0.500000 0.000000 Na\n0.258230 0.500000 0.000000 Na\n0.241769 0.000000 0.500000 Na\n0.756136 0.511989 0.647672 Li\n0.743863 0.988010 0.147672 Li\n0.743863 0.011989 0.852328 Li\n0.243863 0.511989 0.647672 Li\n0.243863 0.488010 0.352328 Li\n0.500000 0.232877 0.911563 Li\n0.756136 0.488010 0.352328 Li\n0.256137 0.988010 0.147672 Li\n0.000000 0.267122 0.411563 Li\n0.000000 0.732877 0.588437 Li\n0.256137 0.011989 0.852328 Li\n0.500000 0.767122 0.088437 Li\n0.000000 0.773101 0.878924 Fe\n0.000000 0.226899 0.121077 Fe\n0.500000 0.273101 0.621077 Fe\n0.500000 0.726899 0.378923 Fe\n0.246477 0.804501 0.991493 O\n0.000000 0.558380 0.775532 O\n0.000000 0.441620 0.224469 O\n0.500000 0.058380 0.724469 O\n0.500000 0.941620 0.275531 O\n0.246477 0.195498 0.008508 O\n0.753522 0.804501 0.991493 O\n0.746477 0.304502 0.508508 O\n0.500000 0.547912 0.222892 O\n0.500000 0.452088 0.777108 O\n0.000000 0.047912 0.277108 O\n0.000000 0.952088 0.722892 O\n0.253523 0.304502 0.508508 O\n0.253523 0.695498 0.491493 O\n0.753522 0.195498 0.008508 O\n0.746477 0.695498 0.491493 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Na",
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Na-O",
"density": 2.8799612012264055,
"density_atomic": 0.09292249386684295,
"volume": 430.46627716771803,
"volume_molar": 6.480821283842929,
"formula_full": "Na8 Li12 Fe4 O16",
"formula_reduced": "Na2Li3FeO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.4639927499999998,
"spacegroup": 58
},
{
"id": "jvasp-66511",
"created_at": "2022-09-04T14:36:18.489015Z",
"updated_at": "2022-09-04T14:36:18.489053Z",
"structure_string": "Ba4 P1 Pd1\n1.0\n0.000000 4.778250 4.778250\n4.778250 -0.000000 4.778250\n4.778250 4.778250 0.000000\nBa P Pd\n4 1 1\ndirect\n0.126303 0.624565 0.624565 Ba\n0.624565 0.624565 0.624565 Ba\n0.624565 0.126303 0.624565 Ba\n0.624565 0.624565 0.126303 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"P",
"Pd"
],
"chemical_system": "Ba-P-Pd",
"density": 5.226135409399952,
"density_atomic": 0.027498857424311934,
"volume": 218.19088362178124,
"volume_molar": 21.899603561985753,
"formula_full": "Ba4 P1 Pd1",
"formula_reduced": "Ba4PPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7448391799999999,
"spacegroup": 216
},
{
"id": "jvasp-94339",
"created_at": "2022-09-04T14:36:18.489759Z",
"updated_at": "2022-09-04T14:36:18.489782Z",
"structure_string": "Zr2 Ti4\n1.0\n-3.882071 -3.882071 -0.000000\n-3.882071 -0.000000 -3.882071\n0.000000 -3.882071 -3.882071\nZr Ti\n2 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Zr\n0.875000 0.375000 0.375000 Ti\n0.375000 0.875000 0.375000 Ti\n0.375000 0.375000 0.875000 Ti\n0.375000 0.375000 0.375000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.3064335348214415,
"density_atomic": 0.05127797102769995,
"volume": 117.00930984103968,
"volume_molar": 11.744108901553235,
"formula_full": "Zr2 Ti4",
"formula_reduced": "ZrTi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5990670555555555,
"spacegroup": 227
}
]
}