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"results": [
{
"id": "jvasp-49833",
"created_at": "2022-09-04T14:37:13.003204Z",
"updated_at": "2022-09-04T14:37:13.003218Z",
"structure_string": "Sr1 Ca2 I6\n1.0\n3.931942 -6.810323 0.000000\n3.931942 6.810323 -0.000000\n0.000000 0.000000 7.137323\nSr Ca I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.650549 0.650549 0.749285 I\n0.349451 0.349451 0.250714 I\n0.349451 0.000000 0.749285 I\n0.650549 0.000000 0.250714 I\n0.000000 0.650549 0.250714 I\n0.000000 0.349451 0.749285 I\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Ca-I-Sr",
"density": 4.036634769441186,
"density_atomic": 0.02354519813878431,
"volume": 382.24354481752897,
"volume_molar": 25.576938127694753,
"formula_full": "Sr1 Ca2 I6",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
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"spacegroup": 162
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{
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"created_at": "2022-09-04T14:36:44.171574Z",
"updated_at": "2022-09-04T14:36:44.171605Z",
"structure_string": "Sr1 Ca2 Si6\n1.0\n6.359369 0.007750 0.281636\n5.144315 3.738671 0.281636\n-0.047434 -0.015448 8.424188\nSr Ca Si\n1 2 6\ndirect\n0.500000 0.500000 0.000001 Sr\n0.170521 0.170520 0.667751 Ca\n0.829479 0.829479 0.332250 Ca\n0.918639 0.918638 0.742213 Si\n0.586961 0.586961 0.425118 Si\n0.247379 0.247379 0.085791 Si\n0.413039 0.413038 0.574883 Si\n0.081361 0.081361 0.257788 Si\n0.752621 0.752620 0.914211 Si\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Ca-Si-Sr",
"density": 2.7919753409204295,
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"volume": 200.00929592155813,
"volume_molar": 13.3831570372013,
"formula_full": "Sr1 Ca2 Si6",
"formula_reduced": "Sr(CaSi3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-105860",
"created_at": "2022-09-04T14:35:55.762453Z",
"updated_at": "2022-09-04T14:35:55.762488Z",
"structure_string": "Sr1 Ca3\n1.0\n5.107462 0.002900 -4.510733\n-1.036956 5.001090 -4.510733\n-0.002359 -0.002900 6.814167\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.500000 Ca\n0.249999 0.750000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Sr",
"density": 1.984299014897768,
"density_atomic": 0.022996387814087325,
"volume": 173.94036108356312,
"volume_molar": 26.18733345726108,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001575,
"spacegroup": 139
},
{
"id": "jvasp-99492",
"created_at": "2022-09-04T14:36:32.178531Z",
"updated_at": "2022-09-04T14:36:32.178559Z",
"structure_string": "Sr1 Ca3\n1.0\n5.404664 -0.000000 3.120384\n1.801555 5.095566 3.120384\n-0.000000 -0.000000 6.240768\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750001 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Sr",
"density": 2.008206254006711,
"density_atomic": 0.023273452983190227,
"volume": 171.8696406110898,
"volume_molar": 25.87557920326488,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0024824999999999,
"spacegroup": 225
},
{
"id": "jvasp-110470",
"created_at": "2022-09-04T14:38:39.204622Z",
"updated_at": "2022-09-04T14:38:39.204647Z",
"structure_string": "Sr1 Ca3\n1.0\n5.582366 -0.000000 -0.000000\n-0.000000 5.582366 -0.000000\n0.000000 -0.000000 5.582366\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Sr",
"density": 1.9840497737915002,
"density_atomic": 0.022993499315380268,
"volume": 173.96221189022825,
"volume_molar": 26.190623173097507,
"formula_full": "Sr1 Ca3",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-102680",
"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Br",
"N"
],
"chemical_system": "Br-Ca-N-Sr",
"density": 3.8430211769248643,
"density_atomic": 0.04679232417097489,
"volume": 170.96821202487675,
"volume_molar": 12.869932978741653,
"formula_full": "Sr1 Ca3 Br2 N2",
"formula_reduced": "SrCa3(BrN)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.003379035,
"spacegroup": 6
},
{
"id": "jvasp-37301",
"created_at": "2022-09-04T14:37:54.043783Z",
"updated_at": "2022-09-04T14:37:54.043824Z",
"structure_string": "Sr1 Ca3 O4\n1.0\n4.918544 0.000000 0.000000\n0.000000 4.918544 0.000000\n-0.000000 -0.000000 4.918544\nSr Ca O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
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"elements": [
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"Ca",
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],
"chemical_system": "Ca-O-Sr",
"density": 3.793772712008797,
"density_atomic": 0.067232661617027,
"volume": 118.98978573196871,
"volume_molar": 8.957165483501939,
"formula_full": "Sr1 Ca3 O4",
"formula_reduced": "SrCa3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.73533519625,
"spacegroup": 221
},
{
"id": "jvasp-119146",
"created_at": "2022-09-04T14:38:51.257469Z",
"updated_at": "2022-09-04T14:38:51.257493Z",
"structure_string": "Sr1 Ca3 Ru4 O12\n1.0\n7.745808 -0.000000 0.000000\n0.000000 5.417084 0.005988\n-0.000000 -0.001742 5.584058\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490796 0.546630 Sr\n0.500000 0.015520 0.054993 Ca\n-0.000000 0.513331 0.440360 Ca\n-0.000000 0.986010 0.945001 Ca\n0.247139 0.000552 0.500322 Ru\n0.752446 0.499273 0.999415 Ru\n0.752862 0.000552 0.500322 Ru\n0.247554 0.499273 0.999415 Ru\n0.500000 0.930506 0.471120 O\n0.500000 0.594629 0.991110 O\n0.285894 0.294866 0.290662 O\n0.704945 0.193702 0.801990 O\n0.798929 0.697581 0.701983 O\n0.714106 0.294866 0.290662 O\n0.201071 0.697581 0.701983 O\n0.801595 0.798851 0.204055 O\n-0.000000 0.404137 0.022123 O\n0.295055 0.193702 0.801990 O\n0.198405 0.798851 0.204055 O\n-0.000000 0.095415 0.531817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru-Sr",
"density": 5.698903013798354,
"density_atomic": 0.08535866765923492,
"volume": 234.30543784777794,
"volume_molar": 7.055101637763751,
"formula_full": "Sr1 Ca3 Ru4 O12",
"formula_reduced": "SrCa3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7450200785,
"spacegroup": 6
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{
"id": "jvasp-114181",
"created_at": "2022-09-04T14:38:40.811755Z",
"updated_at": "2022-09-04T14:38:40.811777Z",
"structure_string": "Sr1 Ca3 S1\n1.0\n5.665762 0.000000 -0.000000\n-0.000000 5.665762 0.000000\n-0.000000 0.000000 5.665762\nSr Ca S\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.499999 Ca\n0.000000 0.499999 0.499999 Ca\n0.499999 0.499999 0.000000 Ca\n0.499999 0.499999 0.499999 S\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ca-S-Sr",
"density": 2.190477306360285,
"density_atomic": 0.027491283881322305,
"volume": 181.8758273198372,
"volume_molar": 21.905636659230268,
"formula_full": "Sr1 Ca3 S1",
"formula_reduced": "SrCa3S",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-18653",
"created_at": "2022-09-04T14:36:59.704844Z",
"updated_at": "2022-09-04T14:36:59.704857Z",
"structure_string": "Sr1 Cd1\n1.0\n4.018134 0.000000 -0.000000\n0.000000 4.018134 -0.000000\n0.000000 0.000000 4.018134\nSr Cd\n1 1\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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],
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"density": 5.1200376667869225,
"density_atomic": 0.030828809071142226,
"volume": 64.87438406669203,
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"formula_full": "Sr1 Cd1",
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"spacegroup": 221
},
{
"id": "jvasp-77125",
"created_at": "2022-09-04T14:37:14.099352Z",
"updated_at": "2022-09-04T14:37:14.099373Z",
"structure_string": "Sr1 Cd1 Au2\n1.0\n-10.079338 0.000000 -5.819309\n-6.544429 -0.515529 -0.303334\n-5.298233 3.009244 -2.461808\nSr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Cd\n0.733030 0.000000 0.000000 Au\n0.266970 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cd-Sr",
"density": 9.08978188117741,
"density_atomic": 0.036864142114293716,
"volume": 108.50652614126719,
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"formula_full": "Sr1 Cd1 Au2",
"formula_reduced": "SrCdAu2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-40288",
"created_at": "2022-09-04T14:37:47.046421Z",
"updated_at": "2022-09-04T14:37:47.046432Z",
"structure_string": "Sr1 Cd1 Hg2\n1.0\n-0.000000 3.761821 3.761821\n3.761821 -0.000000 3.761821\n3.761821 3.761821 -0.000000\nSr Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Sr",
"density": 9.376734953491317,
"density_atomic": 0.03756951737652898,
"volume": 106.46929423956198,
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"formula_full": "Sr1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}