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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=990",
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"results": [
{
"id": "jvasp-96982",
"created_at": "2022-09-04T14:36:12.885077Z",
"updated_at": "2022-09-04T14:36:12.885104Z",
"structure_string": "Sr4 Mn2 W2 O12\n1.0\n5.669842 0.000000 0.000000\n0.000000 5.681923 -0.007340\n0.000000 -0.000362 7.976228\nSr Mn W O\n4 2 2 12\ndirect\n0.978655 0.996621 0.749525 Sr\n0.478655 0.503378 0.750475 Sr\n0.521344 0.496621 0.249525 Sr\n0.021345 0.003379 0.250475 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.491126 0.941814 0.241462 O\n0.991126 0.558185 0.258538 O\n0.268214 0.287962 0.469284 O\n0.285945 0.266368 0.030010 O\n0.785945 0.233632 0.469990 O\n0.714055 0.733632 0.969990 O\n0.214055 0.766368 0.530010 O\n0.231786 0.787962 0.969284 O\n0.731786 0.712038 0.530716 O\n0.768214 0.212038 0.030716 O\n0.008873 0.441815 0.741463 O\n0.508873 0.058185 0.758538 O\n",
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"density": 6.591704571795548,
"density_atomic": 0.07783342841084916,
"volume": 256.95900088620806,
"volume_molar": 7.737216364428549,
"formula_full": "Sr4 Mn2 W2 O12",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7834210861379307,
"spacegroup": 14
},
{
"id": "jvasp-9496",
"created_at": "2022-09-04T14:38:08.961775Z",
"updated_at": "2022-09-04T14:38:08.961798Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n3.953105 0.000000 0.000000\n0.000000 3.953105 0.000000\n0.000000 0.000000 13.539180\nSr Mn S O\n4 2 2 6\ndirect\n0.500001 0.000000 0.138175 Sr\n0.000000 0.500001 0.861825 Sr\n0.500001 0.000000 0.400362 Sr\n0.000000 0.500001 0.599638 Sr\n0.000000 0.500001 0.276707 Mn\n0.500001 0.000000 0.723293 Mn\n0.000000 0.500001 0.092652 S\n0.500001 0.000000 0.907348 S\n0.500001 0.500001 0.272593 O\n0.000000 0.000000 0.272593 O\n0.000000 0.000000 0.727407 O\n0.500001 0.500001 0.727407 O\n0.000000 0.500001 0.416378 O\n0.500001 0.000000 0.583622 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 4.8697825109408015,
"density_atomic": 0.06616967074485681,
"volume": 211.57729579738285,
"volume_molar": 9.101058977942827,
"formula_full": "Sr4 Mn2 S2 O6",
"formula_reduced": "Sr2MnSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.65271576591133,
"spacegroup": 129
},
{
"id": "jvasp-100544",
"created_at": "2022-09-04T14:38:39.656454Z",
"updated_at": "2022-09-04T14:38:39.656475Z",
"structure_string": "Sr2 Mn1 Sb1 O6\n1.0\n4.814811 -0.031884 -3.075183\n-1.461620 4.587710 -3.075183\n0.023468 0.031884 5.713021\nSr Mn Sb O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500001 Sr\n0.500000 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Sb\n0.238568 0.238568 0.000000 O\n0.761432 0.761433 0.000001 O\n0.209386 0.301583 0.510969 O\n0.790615 0.698417 0.489033 O\n0.301583 0.790615 0.092198 O\n0.698417 0.209385 0.907803 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mn-O-Sb-Sr",
"density": 5.862460132590528,
"density_atomic": 0.07881635476938803,
"volume": 126.87722020714362,
"volume_molar": 7.640724793249353,
"formula_full": "Sr2 Mn1 Sb1 O6",
"formula_reduced": "Sr2MnSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.058349696137931,
"spacegroup": 87
},
{
"id": "jvasp-106737",
"created_at": "2022-09-04T14:36:52.438007Z",
"updated_at": "2022-09-04T14:36:52.438038Z",
"structure_string": "Sr2 Mn1 Ru1 O6\n1.0\n4.702659 -0.127353 -2.898839\n-1.529876 4.448674 -2.898839\n0.093505 0.127353 5.523543\nSr Mn Ru O\n2 1 1 6\ndirect\n0.749999 0.250000 0.499999 Sr\n0.249999 0.749999 0.499998 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ru\n0.794613 0.713989 0.508603 O\n0.205385 0.286010 0.491394 O\n0.286010 0.794613 0.080623 O\n0.713988 0.205386 0.919374 O\n0.751418 0.751419 -0.000001 O\n0.248581 0.248581 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 6.01127499262564,
"density_atomic": 0.08473075446345422,
"volume": 118.02090118663071,
"volume_molar": 7.107384795679412,
"formula_full": "Sr2 Mn1 Ru1 O6",
"formula_reduced": "Sr2MnRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4153391361379306,
"spacegroup": 87
},
{
"id": "jvasp-7869",
"created_at": "2022-09-04T14:36:45.932363Z",
"updated_at": "2022-09-04T14:36:45.932383Z",
"structure_string": "Sr2 Mn1 O4\n1.0\n3.666654 -0.000000 -1.065555\n-0.309657 3.653555 -1.065555\n-0.008371 -0.009110 6.812587\nSr Mn O\n2 1 4\ndirect\n0.643797 0.643796 0.287595 Sr\n0.356201 0.356202 0.712406 Sr\n0.000000 0.000000 0.000000 Mn\n0.844174 0.844174 0.688353 O\n0.155824 0.155824 0.311649 O\n0.000001 0.500000 0.000001 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Mn-O-Sr",
"density": 5.356696767903871,
"density_atomic": 0.07676076437011459,
"volume": 91.19242177225274,
"volume_molar": 7.845337145111353,
"formula_full": "Sr2 Mn1 O4",
"formula_reduced": "Sr2MnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.692289123054187,
"spacegroup": 139
},
{
"id": "jvasp-102180",
"created_at": "2022-09-04T14:36:41.845421Z",
"updated_at": "2022-09-04T14:36:41.845447Z",
"structure_string": "Sr2 Mn1 Ga1 O5 F1\n1.0\n3.838734 -0.000000 0.000000\n0.000000 3.944790 0.000000\n0.000000 0.000000 7.743032\nSr Mn Ga O F\n2 1 1 5 1\ndirect\n0.499999 0.500000 0.763187 Sr\n0.499999 0.500000 0.236813 Sr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.499999 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.754749 O\n0.000000 0.000000 0.245250 O\n0.499999 0.000000 0.500000 O\n0.000000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Mn",
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"O",
"F"
],
"chemical_system": "F-Ga-Mn-O-Sr",
"density": 5.649191601889364,
"density_atomic": 0.08528586095980258,
"volume": 117.25272967242785,
"volume_molar": 7.061124425815891,
"formula_full": "Sr2 Mn1 Ga1 O5 F1",
"formula_reduced": "Sr2MnGaO5F",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 1.484436996887931,
"spacegroup": 47
},
{
"id": "jvasp-119693",
"created_at": "2022-09-04T14:38:53.284933Z",
"updated_at": "2022-09-04T14:38:53.284960Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.239030 0.003010 -1.626017\n-0.587793 5.201757 -1.639315\n-0.038508 -0.020102 9.006656\nSr Mn Ga O\n4 2 2 10\ndirect\n0.877582 0.403162 0.780750 Sr\n0.122420 0.596840 0.219250 Sr\n0.403167 0.877588 0.780750 Sr\n0.596835 0.122414 0.219250 Sr\n0.000001 -0.000000 -0.000000 Mn\n0.499999 0.500000 -0.000002 Mn\n0.183089 0.183130 0.500007 Ga\n0.816909 0.816871 0.499992 Ga\n0.620695 0.620660 0.287599 O\n0.379303 0.379340 0.712403 O\n0.171484 0.828545 0.500000 O\n0.828514 0.171456 0.500000 O\n0.243461 0.243463 0.986922 O\n0.250008 0.750012 0.000014 O\n0.756540 0.756536 0.013077 O\n0.833070 0.833036 0.712380 O\n0.749994 0.249990 0.999985 O\n0.166929 0.166965 0.287621 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.150741686484244,
"density_atomic": 0.07348456430886478,
"volume": 244.9494008611626,
"volume_molar": 8.195109839242146,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6555021873754785,
"spacegroup": 69
},
{
"id": "jvasp-26172",
"created_at": "2022-09-04T14:37:46.499694Z",
"updated_at": "2022-09-04T14:37:46.499727Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.185401 0.000000 -1.632031\n-0.543850 5.309943 -1.727956\n-0.042186 -0.065705 8.919684\nSr Mn Ga O\n4 2 2 10\ndirect\n0.387535 0.874432 0.779290 Sr\n0.608244 0.125569 0.220709 Sr\n0.108244 0.595139 0.220708 Sr\n0.887535 0.404861 0.779291 Sr\n0.494287 0.500000 -0.000000 Mn\n0.994287 0.000000 0.000000 Mn\n0.784080 0.819035 0.500000 Ga\n0.284079 0.180965 0.499999 Ga\n0.751907 0.753926 0.012529 O\n0.630700 0.123857 0.499999 O\n0.251908 0.758603 0.012530 O\n0.118464 0.189994 0.286062 O\n0.832401 0.810006 0.713937 O\n0.618464 0.596066 0.286061 O\n0.332402 0.403934 0.713938 O\n0.130701 0.876144 0.500000 O\n0.239377 0.241398 0.987469 O\n0.739377 0.246074 0.987470 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.1584453831368435,
"density_atomic": 0.07359447135265411,
"volume": 244.58358989694474,
"volume_molar": 8.182871144141751,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6549410762643677,
"spacegroup": 46
},
{
"id": "jvasp-119290",
"created_at": "2022-09-04T14:38:48.790093Z",
"updated_at": "2022-09-04T14:38:48.790132Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.239292147491067,
"density_atomic": 0.06752879928978316,
"volume": 236.93594685935335,
"volume_molar": 8.917885144318163,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
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"spacegroup": 129
},
{
"id": "jvasp-11046",
"created_at": "2022-09-04T14:37:19.707826Z",
"updated_at": "2022-09-04T14:37:19.707836Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.877164 0.000000 -0.000000\n-0.000000 3.877164 -0.000000\n0.000000 0.000000 15.832524\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184270 Sr\n0.000000 0.500000 0.815730 Sr\n0.500000 0.000000 0.413700 Sr\n0.000000 0.500000 0.586300 Sr\n0.000000 0.500000 0.305932 Mn\n0.500000 0.000000 0.694068 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092040 S\n0.500000 0.000000 0.907960 S\n0.500000 0.500000 0.288580 O\n0.000000 0.000000 0.288580 O\n0.000000 0.000000 0.711420 O\n0.500000 0.500000 0.711420 O\n0.000000 0.500000 0.430437 O\n0.500000 0.000000 0.569563 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.215849750362551,
"density_atomic": 0.0672266521893736,
"volume": 238.0008445895673,
"volume_molar": 8.957966169482866,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.453163851422414,
"spacegroup": 129
},
{
"id": "jvasp-116800",
"created_at": "2022-09-04T14:38:43.232886Z",
"updated_at": "2022-09-04T14:38:43.232908Z",
"structure_string": "Sr4 Mn2 Cu4 S4 O4\n1.0\n5.347297 0.000051 1.770960\n-0.000019 5.632832 -0.000130\n-0.155569 0.000122 9.426596\nSr Mn Cu S O\n4 2 4 4 4\ndirect\n0.406263 0.000004 0.187494 Sr\n0.906263 0.500003 0.187495 Sr\n0.093734 0.499997 0.812516 Sr\n0.593734 -0.000003 0.812516 Sr\n0.499995 0.499999 0.000015 Mn\n0.999995 -0.000001 0.000013 Mn\n0.500019 0.749997 0.499990 Cu\n0.000020 0.249998 0.499990 Cu\n0.499979 0.250002 0.500000 Cu\n0.999981 0.750000 0.500000 Cu\n0.170881 0.999989 0.658260 S\n0.670882 0.499989 0.658259 S\n0.329129 0.500008 0.341719 S\n0.829129 0.000008 0.341720 S\n0.749999 0.750001 0.000004 O\n0.249999 0.750001 0.000004 O\n0.749999 0.250002 0.000004 O\n0.249999 0.250002 0.000004 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.274438832904756,
"density_atomic": 0.06305060566147976,
"volume": 285.4849657851415,
"volume_molar": 9.551281382343923,
"formula_full": "Sr4 Mn2 Cu4 S4 O4",
"formula_reduced": "Sr2MnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.2495175290421454,
"spacegroup": 139
},
{
"id": "jvasp-113184",
"created_at": "2022-09-04T14:38:46.190741Z",
"updated_at": "2022-09-04T14:38:46.190758Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.896024 0.000318 0.000000\n-0.000306 3.896024 -0.000002\n-0.000007 0.000001 14.507037\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250000 0.250000 0.094243 Sr\n0.749998 0.749999 0.905757 Sr\n0.250000 0.250000 0.344117 Sr\n0.749997 0.749999 0.655884 Sr\n0.749999 0.750000 0.210432 Mn\n0.249999 0.249999 0.789566 Mn\n0.749998 0.750000 0.426064 Cl\n0.249998 0.249999 0.573936 Cl\n0.749999 0.250000 0.229842 O\n0.249999 0.750000 0.229842 O\n0.249998 0.749999 0.770159 O\n0.749998 0.250000 0.770158 O\n0.749998 0.750000 0.075355 O\n0.249999 0.249999 0.924647 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.73013653901942,
"density_atomic": 0.06357788363545856,
"volume": 220.20235968018193,
"volume_molar": 9.472068611987172,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 129
}
]
}