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_reduced&page=3640",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3638",
"results": [
{
"id": "jvasp-68887",
"created_at": "2022-09-04T14:35:52.176838Z",
"updated_at": "2022-09-04T14:35:52.176859Z",
"structure_string": "Sr2 Ca1 Be1\n1.0\n3.783557 0.000000 -0.000000\n-0.000000 3.783557 -0.000000\n0.000000 0.000000 9.950159\nSr Ca Be\n2 1 1\ndirect\n0.000000 0.000000 0.984091 Sr\n0.500000 0.500000 0.326341 Sr\n0.500000 0.500000 0.672308 Ca\n0.000000 0.000000 0.517260 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-Sr",
"density": 2.6152079230694243,
"density_atomic": 0.028082088811097018,
"volume": 142.43954667714553,
"volume_molar": 21.444774997009016,
"formula_full": "Sr2 Ca1 Be1",
"formula_reduced": "Sr2CaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1222422849999999,
"spacegroup": 99
},
{
"id": "jvasp-49898",
"created_at": "2022-09-04T14:38:16.041387Z",
"updated_at": "2022-09-04T14:38:16.041414Z",
"structure_string": "Sr2 Ca1 I6\n1.0\n8.042309 0.000000 0.000039\n-4.021155 6.964809 -0.000020\n0.000003 0.000000 7.048806\nSr Ca I\n2 1 6\ndirect\n0.333317 0.666668 0.500001 Sr\n0.666649 0.333332 0.500001 Sr\n-0.000012 -0.000000 0.000001 Ca\n0.999984 0.669895 0.761620 I\n0.999984 0.330093 0.238393 I\n0.330089 0.330105 0.761620 I\n0.669892 0.669907 0.238393 I\n0.330095 -0.000000 0.238374 I\n0.669903 -0.000000 0.761598 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.107945656868737,
"density_atomic": 0.02279486293029842,
"volume": 394.8258003358029,
"volume_molar": 26.418850503354005,
"formula_full": "Sr2 Ca1 I6",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 162
},
{
"id": "jvasp-112463",
"created_at": "2022-09-04T14:38:40.591033Z",
"updated_at": "2022-09-04T14:38:40.591059Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n8.410366 -0.013638 0.447800\n-4.471051 7.123493 0.447800\n-0.156929 -0.283233 12.843150\nSr Ca I\n4 2 12\ndirect\n0.295629 0.583673 0.575256 Sr\n0.416328 0.704371 0.924744 Sr\n0.583673 0.295629 0.075256 Sr\n0.704371 0.416327 0.424744 Sr\n-0.013760 0.013760 0.250000 Ca\n0.013760 -0.013759 0.750000 Ca\n0.986835 0.257095 0.432591 I\n0.742905 0.013166 0.067409 I\n0.621415 0.933026 0.694658 I\n0.411396 0.276501 0.628966 I\n0.588605 0.723499 0.371034 I\n0.013166 0.742904 0.567409 I\n0.257096 0.986834 0.932591 I\n0.066974 0.378585 0.805342 I\n0.933027 0.621414 0.194658 I\n0.276501 0.411395 0.128966 I\n0.378585 0.066973 0.305342 I\n0.723500 0.588605 0.871034 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.208411691638327,
"density_atomic": 0.023352345838548238,
"volume": 770.8005064864618,
"volume_molar": 25.788161933004258,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0002311111111115,
"spacegroup": 15
},
{
"id": "jvasp-50378",
"created_at": "2022-09-04T14:37:06.019654Z",
"updated_at": "2022-09-04T14:37:06.019681Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n7.560840 0.000000 0.000000\n0.000000 7.560840 0.000000\n0.000000 0.000000 14.456775\nSr Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333494 Sr\n0.000000 0.000000 0.666507 Sr\n0.500000 0.500000 0.166507 Sr\n0.500000 0.500000 0.833494 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.793104 0.206896 0.500000 I\n0.706896 0.706896 0.000000 I\n0.695821 0.695821 0.660215 I\n0.695821 0.695821 0.339786 I\n0.304179 0.304179 0.660215 I\n0.206896 0.793104 0.500000 I\n0.293104 0.293104 0.000000 I\n0.804179 0.195821 0.160215 I\n0.195821 0.804179 0.839786 I\n0.195821 0.804179 0.160215 I\n0.304179 0.304179 0.339786 I\n0.804179 0.195821 0.839786 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.9250816229590497,
"density_atomic": 0.02178015608263528,
"volume": 826.4403584486204,
"volume_molar": 27.64966760179137,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.77777777782018e-05,
"spacegroup": 136
},
{
"id": "jvasp-50492",
"created_at": "2022-09-04T14:36:52.199453Z",
"updated_at": "2022-09-04T14:36:52.199478Z",
"structure_string": "Sr4 Ca2 I12\n1.0\n-7.708696 0.003332 -0.001621\n-0.003429 -8.381447 -0.462686\n3.852972 3.049779 12.039046\nSr Ca I\n4 2 12\ndirect\n0.629598 0.811851 0.652340 Sr\n0.025768 0.311841 0.652339 Sr\n0.976929 0.688813 0.347046 Sr\n0.373119 0.188788 0.347032 Sr\n0.333957 0.750327 -0.000316 Ca\n0.668745 0.250336 -0.000312 Ca\n0.069416 0.352404 0.174337 I\n0.107938 0.852414 0.174341 I\n0.737755 0.476276 0.468003 I\n0.733259 0.976278 0.468010 I\n0.269463 0.024373 0.531373 I\n0.933284 0.648241 0.825059 I\n0.894799 0.148218 0.825044 I\n0.567295 0.565277 0.165000 I\n0.435400 0.435385 0.834375 I\n0.401969 0.935397 0.834372 I\n0.264935 0.524372 0.531378 I\n0.600738 0.065271 0.164998 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.2297757616255165,
"density_atomic": 0.02347089439971944,
"volume": 766.9072892345833,
"volume_molar": 25.657909142448297,
"formula_full": "Sr4 Ca2 I12",
"formula_reduced": "Sr2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0011677777777781,
"spacegroup": 15
},
{
"id": "jvasp-22111",
"created_at": "2022-09-04T14:38:14.903235Z",
"updated_at": "2022-09-04T14:38:14.903245Z",
"structure_string": "Sr4 Ca2 Ir2 O12\n1.0\n0.000000 5.779777 -0.001003\n5.882604 0.000000 0.000000\n0.000000 -5.727903 -8.218441\nSr Ca Ir O\n4 2 2 12\ndirect\n0.240631 0.044279 0.250279 Sr\n0.759370 0.544278 0.249721 Sr\n0.240631 0.455721 0.750279 Sr\n0.759370 0.955721 0.749721 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.232035 0.808890 0.460427 O\n0.767965 0.308890 0.039573 O\n0.857131 0.771330 0.043775 O\n0.142870 0.271330 0.456224 O\n0.142870 0.228670 0.956224 O\n0.691552 0.521137 0.769725 O\n0.308449 0.478862 0.230275 O\n0.691552 0.978862 0.269725 O\n0.232035 0.691109 0.960427 O\n0.308449 0.021138 0.730275 O\n0.857131 0.728670 0.543775 O\n0.767966 0.191110 0.539573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O-Sr",
"density": 5.983881570700023,
"density_atomic": 0.07156609721335873,
"volume": 279.4619348931989,
"volume_molar": 8.414795544943997,
"formula_full": "Sr4 Ca2 Ir2 O12",
"formula_reduced": "Sr2CaIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.864264514,
"spacegroup": 14
},
{
"id": "jvasp-11727",
"created_at": "2022-09-04T14:38:10.313927Z",
"updated_at": "2022-09-04T14:38:10.313948Z",
"structure_string": "Sr2 Ca1 Mo1 O6\n1.0\n5.073671 -0.000000 2.929285\n1.691224 4.783503 2.929285\n-0.000000 0.000000 5.858570\nSr Ca Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.749999 Sr\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mo\n0.231501 0.768498 0.768498 O\n0.231501 0.768498 0.231501 O\n0.768498 0.231502 0.768498 O\n0.231502 0.231502 0.768498 O\n0.768498 0.231502 0.231501 O\n0.768498 0.768498 0.231501 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O-Sr",
"density": 4.756143028519706,
"density_atomic": 0.07032990386926816,
"volume": 142.18702784790338,
"volume_molar": 8.562702959461141,
"formula_full": "Sr2 Ca1 Mo1 O6",
"formula_reduced": "Sr2CaMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.972631994,
"spacegroup": 225
},
{
"id": "jvasp-101244",
"created_at": "2022-09-04T14:36:40.290856Z",
"updated_at": "2022-09-04T14:36:40.290883Z",
"structure_string": "Sr2 Ca1 N2\n1.0\n3.757541 0.000410 0.000236\n-1.878316 3.254763 -0.000411\n0.000461 -0.000900 9.462532\nSr Ca N\n2 1 2\ndirect\n0.666675 0.333272 0.215091 Sr\n0.333323 0.666727 0.784910 Sr\n-0.000000 -0.000000 0.500000 Ca\n0.666713 0.333230 0.661385 N\n0.333285 0.666769 0.338616 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"N"
],
"chemical_system": "Ca-N-Sr",
"density": 3.491318352989188,
"density_atomic": 0.04320283072167858,
"volume": 115.73315721395703,
"volume_molar": 13.939227266833173,
"formula_full": "Sr2 Ca1 N2",
"formula_reduced": "Sr2CaN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7140979079999998,
"spacegroup": 164
},
{
"id": "jvasp-110087",
"created_at": "2022-09-04T14:38:27.188774Z",
"updated_at": "2022-09-04T14:38:27.188784Z",
"structure_string": "Sr2 Ca1 Os1 O6\n1.0\n5.063115 -0.000000 2.923191\n1.687705 4.773551 2.923191\n-0.000000 -0.000000 5.846382\nSr Ca Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.749999 Sr\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Os\n0.767044 0.232956 0.232956 O\n0.232957 0.767043 0.767043 O\n0.232957 0.767043 0.232956 O\n0.767044 0.232956 0.767043 O\n0.232957 0.232956 0.767043 O\n0.767045 0.767043 0.232955 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Os",
"O"
],
"chemical_system": "Ca-O-Os-Sr",
"density": 5.89402448864182,
"density_atomic": 0.07077069373270692,
"volume": 141.30142679919027,
"volume_molar": 8.5093708177356,
"formula_full": "Sr2 Ca1 Os1 O6",
"formula_reduced": "Sr2CaOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0122379040000005,
"spacegroup": 225
},
{
"id": "jvasp-99260",
"created_at": "2022-09-04T14:37:46.245867Z",
"updated_at": "2022-09-04T14:37:46.245893Z",
"structure_string": "Sr2 Ca1 Tl1 Cu2 O7\n1.0\n3.773558 0.000000 0.000000\n0.000000 3.773558 0.000000\n0.000000 -0.000000 12.204720\nSr Ca Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.210049 Sr\n0.500000 0.500000 0.789951 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.359453 Cu\n0.000000 0.000000 0.640547 Cu\n0.500000 0.000000 0.627646 O\n0.000000 0.500000 0.627646 O\n0.500000 0.000000 0.372354 O\n0.000000 0.500000 0.372354 O\n0.000000 0.000000 0.826991 O\n0.000000 0.000000 0.173009 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O-Sr-Tl",
"density": 6.294563556965088,
"density_atomic": 0.07480204531113636,
"volume": 173.7920393209434,
"volume_molar": 8.0507701827552,
"formula_full": "Sr2 Ca1 Tl1 Cu2 O7",
"formula_reduced": "Sr2CaTlCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.1606577723076923,
"spacegroup": 123
},
{
"id": "jvasp-49203",
"created_at": "2022-09-04T14:37:18.117595Z",
"updated_at": "2022-09-04T14:37:18.117621Z",
"structure_string": "Sr4 Ca2 U2 O12\n1.0\n0.000000 5.951673 -0.004149\n6.116528 0.000000 0.000000\n0.000000 -5.912993 -8.476958\nSr Ca U O\n4 2 2 12\ndirect\n0.734224 0.548637 0.247493 Sr\n0.265776 0.048636 0.252508 Sr\n0.734224 0.951364 0.747493 Sr\n0.265776 0.451364 0.752508 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.247501 0.719367 0.560946 O\n0.752500 0.219366 0.939055 O\n0.666236 0.688869 0.950414 O\n0.333765 0.188869 0.549587 O\n0.333765 0.311131 0.049587 O\n0.130662 0.042755 0.734952 O\n0.869338 0.957246 0.265049 O\n0.130662 0.457245 0.234952 O\n0.247501 0.780634 0.060946 O\n0.869338 0.542755 0.765049 O\n0.666235 0.811131 0.450414 O\n0.752499 0.280634 0.439055 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-Sr-U",
"density": 5.909187103441815,
"density_atomic": 0.06477908418762947,
"volume": 308.7416293517051,
"volume_molar": 9.296427752138579,
"formula_full": "Sr4 Ca2 U2 O12",
"formula_reduced": "Sr2CaUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9181680040000004,
"spacegroup": 14
},
{
"id": "jvasp-87166",
"created_at": "2022-09-04T14:36:00.800669Z",
"updated_at": "2022-09-04T14:36:00.800693Z",
"structure_string": "Sr2 Ca1 W1 O6\n1.0\n5.089674 0.000000 2.938525\n1.696558 4.798591 2.938525\n-0.000000 -0.000000 5.877049\nSr Ca W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 W\n0.232188 0.767812 0.767813 O\n0.232188 0.767812 0.232189 O\n0.767812 0.232188 0.767813 O\n0.232188 0.232188 0.767813 O\n0.767812 0.232188 0.232189 O\n0.767812 0.767812 0.232189 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-Sr-W",
"density": 5.728312827997129,
"density_atomic": 0.06966858454541393,
"volume": 143.53671838246453,
"volume_molar": 8.643983223276809,
"formula_full": "Sr2 Ca1 W1 O6",
"formula_reduced": "Sr2CaWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.191906404,
"spacegroup": 225
}
]
}