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=-formula_anonymous&page=581",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=579",
"results": [
{
"id": "jvasp-50067",
"created_at": "2022-09-04T14:37:00.380748Z",
"updated_at": "2022-09-04T14:37:00.380769Z",
"structure_string": "Yb4 C4 O12\n1.0\n4.895195 -0.000417 -0.003193\n0.000116 5.560272 -0.000360\n0.005195 0.000355 7.765055\nYb C O\n4 4 12\ndirect\n0.249979 0.761897 0.914980 Yb\n0.750009 0.738103 0.414978 Yb\n0.249990 0.261897 0.585022 Yb\n0.750020 0.238103 0.085020 Yb\n0.250028 0.910534 0.264789 C\n0.749999 0.589468 0.764788 C\n0.250000 0.410532 0.235212 C\n0.749971 0.089466 0.735211 C\n0.749982 0.103315 0.569842 O\n0.249999 0.396681 0.069844 O\n0.478206 0.410031 0.319798 O\n0.021795 0.410029 0.319808 O\n0.978204 0.589971 0.680191 O\n0.021823 0.910040 0.180201 O\n0.750000 0.603319 0.930156 O\n0.250017 0.896684 0.430158 O\n0.978176 0.089960 0.819799 O\n0.478235 0.910025 0.180196 O\n0.521793 0.589969 0.680202 O\n0.521764 0.089975 0.819804 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"C",
"O"
],
"chemical_system": "C-O-Yb",
"density": 7.323950235155727,
"density_atomic": 0.0946279069555465,
"volume": 211.35414111394675,
"volume_molar": 6.364021939985452,
"formula_full": "Yb4 C4 O12",
"formula_reduced": "YbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14328224,
"spacegroup": 62
},
{
"id": "jvasp-104657",
"created_at": "2022-09-04T14:36:56.060345Z",
"updated_at": "2022-09-04T14:36:56.060364Z",
"structure_string": "Sm3 Sn1 N1\n1.0\n4.915091 -0.000000 0.000000\n0.000000 4.915091 0.000000\n-0.000000 -0.000000 4.915091\nSm Sn N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Sm\n-0.000000 0.500000 -0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"N"
],
"chemical_system": "N-Sm-Sn",
"density": 8.164245289987461,
"density_atomic": 0.04210903757460628,
"volume": 118.73935591952912,
"volume_molar": 14.30130230198287,
"formula_full": "Sm3 Sn1 N1",
"formula_reduced": "Sm3SnN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.944982315,
"spacegroup": 221
},
{
"id": "jvasp-103642",
"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Br"
],
"chemical_system": "Br-Ca-Tl",
"density": 4.964165876557798,
"density_atomic": 0.030872113017127223,
"volume": 323.91692769627406,
"volume_molar": 19.506733331337045,
"formula_full": "Ca2 Tl2 Br6",
"formula_reduced": "CaTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-58885",
"created_at": "2022-09-04T14:37:02.502467Z",
"updated_at": "2022-09-04T14:37:02.502488Z",
"structure_string": "Si4 H12 I4\n1.0\n0.000000 4.512711 -0.072827\n8.335815 0.000000 0.000000\n0.000000 -2.392822 -10.213925\nSi H I\n4 12 4\ndirect\n0.558681 0.928522 0.290823 Si\n0.441319 0.428521 0.209177 Si\n0.441319 0.071479 0.709177 Si\n0.558681 0.571479 0.790823 Si\n0.778817 0.013691 0.227206 H\n0.221183 0.513691 0.272794 H\n0.221183 0.986310 0.772794 H\n0.778817 0.486310 0.727206 H\n0.411730 0.462391 0.871333 H\n0.588270 0.962391 0.628667 H\n0.588270 0.537609 0.128667 H\n0.411730 0.037609 0.371333 H\n0.333830 0.667523 0.696857 H\n0.666171 0.167523 0.803143 H\n0.666171 0.332477 0.303143 H\n0.333829 0.832477 0.196857 H\n0.863748 0.730207 0.443318 I\n0.136252 0.230206 0.056682 I\n0.136252 0.269794 0.556682 I\n0.863748 0.769794 0.943318 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Si",
"H",
"I"
],
"chemical_system": "H-I-Si",
"density": 2.721366173675583,
"density_atomic": 0.051857658002635296,
"volume": 385.67109989779414,
"volume_molar": 11.612828253242688,
"formula_full": "Si4 H12 I4",
"formula_reduced": "SiH3I",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.222342975,
"spacegroup": 14
},
{
"id": "jvasp-47525",
"created_at": "2022-09-04T14:36:55.520971Z",
"updated_at": "2022-09-04T14:36:55.521000Z",
"structure_string": "Co4 Ag4 O12\n1.0\n6.854999 -0.876076 0.764039\n-1.324824 6.782578 -0.764039\n-0.809319 0.757753 4.815198\nCo Ag O\n4 4 12\ndirect\n0.092491 0.092491 0.750000 Co\n0.272746 0.272746 0.250000 Co\n0.727254 0.727254 0.750000 Co\n0.907509 0.907508 0.250000 Co\n0.143978 0.609857 0.726942 Ag\n0.390143 0.856022 0.226942 Ag\n0.609857 0.143977 0.773059 Ag\n0.856022 0.390142 0.273058 Ag\n0.823906 -0.008517 0.902917 O\n0.598110 0.495921 0.541610 O\n0.672998 0.868781 0.425251 O\n0.504079 0.401890 0.041610 O\n0.495922 0.598109 0.958390 O\n0.131219 0.327002 0.925251 O\n0.401890 0.504078 0.458390 O\n0.176094 0.008515 0.097083 O\n0.868782 0.672997 0.074749 O\n-0.008515 0.823906 0.597083 O\n0.327003 0.131218 0.574750 O\n0.008516 0.176093 0.402917 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-O",
"density": 6.3369269197985165,
"density_atomic": 0.08883132649772413,
"volume": 225.14579921884206,
"volume_molar": 6.779298472092824,
"formula_full": "Co4 Ag4 O12",
"formula_reduced": "CoAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0636077320000004,
"spacegroup": 15
},
{
"id": "jvasp-8736",
"created_at": "2022-09-04T14:36:44.330118Z",
"updated_at": "2022-09-04T14:36:44.330129Z",
"structure_string": "Er3 In1 N1\n1.0\n4.737259 -0.000000 0.000000\n-0.000000 4.737259 -0.000000\n0.000000 -0.000000 4.737259\nEr In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"In",
"N"
],
"chemical_system": "Er-In-N",
"density": 9.84969643880671,
"density_atomic": 0.047031476777071146,
"volume": 106.31177974061846,
"volume_molar": 12.804490040882412,
"formula_full": "Er3 In1 N1",
"formula_reduced": "Er3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6447466439999998,
"spacegroup": 221
},
{
"id": "jvasp-101046",
"created_at": "2022-09-04T14:36:44.287727Z",
"updated_at": "2022-09-04T14:36:44.287766Z",
"structure_string": "Tl2 Sn2 I6\n1.0\n7.787402 0.021587 0.000000\n-6.443383 4.373432 0.000000\n0.000000 -0.000000 11.847086\nTl Sn I\n2 2 6\ndirect\n0.249055 0.750945 0.250000 Tl\n0.750945 0.249055 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.643480 0.356520 0.056557 I\n0.356520 0.643480 0.943443 I\n0.356520 0.643480 0.556557 I\n0.643480 0.356520 0.443443 I\n0.925375 0.074626 0.250000 I\n0.074626 0.925374 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"I"
],
"chemical_system": "I-Sn-Tl",
"density": 5.7694699170503325,
"density_atomic": 0.024683311106162655,
"volume": 405.1320326106213,
"volume_molar": 24.39762126766072,
"formula_full": "Tl2 Sn2 I6",
"formula_reduced": "TlSnI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-9438",
"created_at": "2022-09-04T14:36:50.125456Z",
"updated_at": "2022-09-04T14:36:50.125490Z",
"structure_string": "Mg2 Ti2 O6\n1.0\n4.509343 -0.002424 3.155423\n1.641928 4.199791 3.155423\n-0.003552 -0.002424 5.503712\nMg Ti O\n2 2 6\ndirect\n0.354618 0.354619 0.354618 Mg\n0.645381 0.645383 0.645380 Mg\n0.143758 0.143758 0.143758 Ti\n0.856242 0.856243 0.856240 Ti\n0.048795 0.772856 0.437609 O\n0.772855 0.437610 0.048794 O\n0.437609 0.048796 0.772855 O\n0.951205 0.227146 0.562389 O\n0.562390 0.951206 0.227143 O\n0.227145 0.562391 0.951204 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.8256082458016687,
"density_atomic": 0.09585717322928601,
"volume": 104.32187454641974,
"volume_molar": 6.282410128656007,
"formula_full": "Mg2 Ti2 O6",
"formula_reduced": "MgTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5318135766666665,
"spacegroup": 148
},
{
"id": "jvasp-104792",
"created_at": "2022-09-04T14:36:50.118111Z",
"updated_at": "2022-09-04T14:36:50.118136Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.084889 -0.002227 0.000000\n-4.196862 2.870966 0.000000\n-0.000000 -0.000000 7.602907\nLi Mn F\n2 2 6\ndirect\n0.742208 0.257792 0.250000 Li\n0.257794 0.742208 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.894103 0.105896 0.750000 F\n0.638349 0.361651 0.577406 F\n0.638349 0.361651 0.922594 F\n0.361652 0.638350 0.422594 F\n0.361652 0.638350 0.077406 F\n0.105899 0.894104 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.5592281892772304,
"density_atomic": 0.09015481624813736,
"volume": 110.92030815610036,
"volume_molar": 6.679777088586124,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.427379617775862,
"spacegroup": 63
},
{
"id": "jvasp-103222",
"created_at": "2022-09-04T14:36:50.090602Z",
"updated_at": "2022-09-04T14:36:50.090633Z",
"structure_string": "Ac1 Al1 O3\n1.0\n3.880131 0.000000 0.000000\n0.000000 3.880131 -0.000000\n-0.000000 0.000000 3.880131\nAc Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ac",
"Al",
"O"
],
"chemical_system": "Ac-Al-O",
"density": 8.583961026837223,
"density_atomic": 0.08559153974946877,
"volume": 58.416988578956285,
"volume_molar": 7.035906559955742,
"formula_full": "Ac1 Al1 O3",
"formula_reduced": "AcAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.33915266,
"spacegroup": 221
},
{
"id": "jvasp-100549",
"created_at": "2022-09-04T14:36:50.071124Z",
"updated_at": "2022-09-04T14:36:50.071156Z",
"structure_string": "Pr1 Ga3 Pt1\n1.0\n3.979990 -0.026611 -4.696143\n-0.555475 3.941126 -4.696143\n0.023280 0.026611 6.155772\nPr Ga Pt\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.615922 0.615922 0.000002 Ga\n0.384079 0.384079 0.000001 Ga\n0.750000 0.250000 0.500001 Ga\n0.250001 0.750001 0.500002 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pr-Pt",
"density": 9.28788500467788,
"density_atomic": 0.051299512244870095,
"volume": 97.46681364402242,
"volume_molar": 11.73917742385983,
"formula_full": "Pr1 Ga3 Pt1",
"formula_reduced": "PrGa3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4944756449999999,
"spacegroup": 119
},
{
"id": "jvasp-15176",
"created_at": "2022-09-04T14:36:55.591162Z",
"updated_at": "2022-09-04T14:36:55.591179Z",
"structure_string": "Ti3 Al1 C1\n1.0\n4.182134 0.000000 0.000000\n-0.000000 4.182134 0.000000\n-0.000000 -0.000000 4.182134\nTi Al C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Al",
"C"
],
"chemical_system": "Al-C-Ti",
"density": 4.145147196718449,
"density_atomic": 0.0683559262368669,
"volume": 73.14654742112636,
"volume_molar": 8.809976093560758,
"formula_full": "Ti3 Al1 C1",
"formula_reduced": "Ti3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.968419560000001,
"spacegroup": 221
}
]
}