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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=937",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=935",
"results": [
{
"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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"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
},
{
"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,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"O"
],
"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-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": [
"Sr",
"Ca",
"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-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": [
"Sr",
"Ca"
],
"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-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": [
"Sr",
"Ca"
],
"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-100231",
"created_at": "2022-09-04T14:36:33.876840Z",
"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 1.9734754696205994,
"density_atomic": 0.02287095185768741,
"volume": 349.7886773484257,
"volume_molar": 26.330958140580538,
"formula_full": "Sr2 Ca6",
"formula_reduced": "SrCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0008875,
"spacegroup": 194
},
{
"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": [
"Sr",
"Ca"
],
"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-100452",
"created_at": "2022-09-04T14:36:41.583611Z",
"updated_at": "2022-09-04T14:36:41.583629Z",
"structure_string": "Sr2 Ca4 N4\n1.0\n3.415115 0.000000 0.000000\n0.000000 3.733478 0.000000\n0.000000 0.000000 14.379102\nSr Ca N\n2 4 4\ndirect\n0.606957 0.250000 0.250000 Sr\n0.393042 0.750000 0.750000 Sr\n0.242268 0.250000 0.931081 Ca\n0.242268 0.250000 0.568919 Ca\n0.757730 0.750000 0.068919 Ca\n0.757730 0.750000 0.431081 Ca\n0.214412 0.250000 0.397451 N\n0.214412 0.250000 0.102549 N\n0.785586 0.750000 0.602549 N\n0.785586 0.750000 0.897451 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"N"
],
"chemical_system": "Ca-N-Sr",
"density": 3.546643814995702,
"density_atomic": 0.05454429169012347,
"volume": 183.33724190263408,
"volume_molar": 11.040826772878328,
"formula_full": "Sr2 Ca4 N4",
"formula_reduced": "SrCa2N2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.74432673,
"spacegroup": 59
},
{
"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,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"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",
"energy_above_hull": 0.0,
"spacegroup": 162
},
{
"id": "jvasp-50007",
"created_at": "2022-09-04T14:35:49.828075Z",
"updated_at": "2022-09-04T14:35:49.828101Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n0.000000 7.186382 0.000000\n-12.454717 3.593191 -1.379834\n0.657333 0.000000 8.679060\nSr Ca I\n2 4 12\ndirect\n0.702616 0.000000 0.750000 Sr\n0.297384 0.000000 0.250000 Sr\n0.404239 0.657733 0.895947 Ca\n0.938027 0.657733 0.395947 Ca\n0.061972 0.342268 0.604053 Ca\n0.595760 0.342267 0.104053 Ca\n0.898676 0.211632 0.317135 I\n0.889692 0.211632 0.817135 I\n0.274292 0.450925 0.380181 I\n0.274782 0.450926 0.880181 I\n0.725217 0.549075 0.119820 I\n0.101324 0.788368 0.682866 I\n0.110307 0.788368 0.182866 I\n0.436250 0.158501 0.532781 I\n0.563750 0.841499 0.467219 I\n0.594749 0.841500 0.967219 I\n0.725707 0.549075 0.619820 I\n0.405250 0.158501 0.032781 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.006196353689506,
"density_atomic": 0.023367654573205998,
"volume": 770.2955358061181,
"volume_molar": 25.77126746346702,
"formula_full": "Sr2 Ca4 I12",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0053799999999999,
"spacegroup": 15
},
{
"id": "jvasp-52555",
"created_at": "2022-09-04T14:36:10.811044Z",
"updated_at": "2022-09-04T14:36:10.811073Z",
"structure_string": "Sr3 Ca6 I18\n1.0\n13.628171 -0.000000 -0.000000\n-6.814085 11.802130 0.000124\n-0.000000 0.000069 7.062544\nSr Ca I\n3 6 18\ndirect\n0.333327 0.666664 0.495995 Sr\n-0.000001 -0.000000 -0.000000 Sr\n0.666663 0.333336 0.504004 Sr\n0.676131 0.676133 0.500001 Ca\n0.323859 0.000000 0.500000 Ca\n0.657520 0.000000 0.000000 Ca\n-0.000002 0.323867 0.499998 Ca\n-0.000002 0.657527 0.000000 Ca\n0.342471 0.342473 -0.000001 Ca\n0.771523 0.897116 0.742874 I\n0.785870 0.224037 0.761264 I\n0.897110 0.771527 0.257122 I\n0.775958 0.561836 0.761257 I\n0.542469 0.105304 0.246226 I\n0.562829 0.457527 0.246229 I\n0.438163 0.214124 0.761260 I\n0.457525 0.562836 0.753778 I\n0.214121 0.438164 0.238742 I\n0.561833 0.775963 0.238735 I\n0.125583 0.228473 0.742877 I\n0.894689 0.437164 0.246221 I\n0.437166 0.894696 0.753772 I\n0.105302 0.542473 0.753769 I\n0.224038 0.785876 0.238739 I\n0.102882 0.874412 0.742877 I\n0.228469 0.125588 0.257122 I\n0.874407 0.102884 0.257125 I\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.074944860700705,
"density_atomic": 0.02376865622725169,
"volume": 1135.949787899387,
"volume_molar": 25.336479700082418,
"formula_full": "Sr3 Ca6 I18",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0012055555555555,
"spacegroup": 150
},
{
"id": "jvasp-50245",
"created_at": "2022-09-04T14:37:01.527363Z",
"updated_at": "2022-09-04T14:37:01.527382Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n7.462624 -0.000000 0.000000\n-0.000000 7.462624 0.000000\n0.000000 0.000000 14.165207\nSr Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.332929 Ca\n0.000000 0.000000 0.667071 Ca\n0.500000 0.500000 0.167071 Ca\n0.500000 0.500000 0.832929 Ca\n0.807549 0.192451 0.500000 I\n0.692450 0.692450 0.000000 I\n0.703616 0.703616 0.673021 I\n0.703616 0.703616 0.326979 I\n0.296384 0.296384 0.673021 I\n0.192451 0.807549 0.500000 I\n0.307549 0.307549 0.000000 I\n0.796384 0.203616 0.173021 I\n0.203616 0.796384 0.826979 I\n0.203616 0.796384 0.173021 I\n0.296384 0.296384 0.326979 I\n0.796384 0.203616 0.826979 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.9118623628627898,
"density_atomic": 0.02281741591350561,
"volume": 788.8711004012429,
"volume_molar": 26.392737822846538,
"formula_full": "Sr2 Ca4 I12",
"formula_reduced": "SrCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0017833333333333,
"spacegroup": 136
}
]
}