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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=897",
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"results": [
{
"id": "jvasp-11581",
"created_at": "2022-09-04T14:37:08.564268Z",
"updated_at": "2022-09-04T14:37:08.564292Z",
"structure_string": "Sr4 Ca1 Cr2 S2 O6\n1.0\n3.913749 -0.000000 -0.000000\n-0.000000 3.913749 0.000000\n0.000000 0.000000 16.538744\nSr Ca Cr S O\n4 1 2 2 6\ndirect\n0.000000 0.500000 0.204120 Sr\n0.500000 0.000000 0.795880 Sr\n0.000000 0.500000 0.417113 Sr\n0.500000 0.000000 0.582887 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.319981 Cr\n0.000000 0.500000 0.680018 Cr\n0.500000 0.000000 0.113097 S\n0.000000 0.500000 0.886903 S\n0.500000 0.500000 0.302092 O\n0.000000 0.000000 0.301912 O\n0.000000 0.000000 0.698088 O\n0.500000 0.500000 0.697908 O\n0.500000 0.000000 0.434036 O\n0.000000 0.500000 0.565964 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Ca-Cr-O-S-Sr",
"density": 4.291285918501861,
"density_atomic": 0.05921105440049664,
"volume": 253.3310739332854,
"volume_molar": 10.170635907388078,
"formula_full": "Sr4 Ca1 Cr2 S2 O6",
"formula_reduced": "Sr4CaCr2(SO3)2",
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{
"id": "jvasp-101367",
"created_at": "2022-09-04T14:37:46.921563Z",
"updated_at": "2022-09-04T14:37:46.921593Z",
"structure_string": "Sr4 C4 N8\n1.0\n3.949493 0.000000 0.000000\n0.000000 5.433069 0.000000\n0.000000 0.000000 12.451384\nSr C N\n4 4 8\ndirect\n0.250000 0.392061 0.631118 Sr\n0.749999 0.607939 0.368882 Sr\n0.749999 0.892062 0.868882 Sr\n0.250000 0.107939 0.131118 Sr\n0.749999 0.891081 0.622095 C\n0.250000 0.391081 0.877904 C\n0.749999 0.608919 0.122095 C\n0.250000 0.108919 0.377905 C\n0.250000 0.309653 0.424460 N\n0.250000 0.190347 0.924460 N\n0.749999 0.690347 0.575540 N\n0.749999 0.809653 0.075540 N\n0.250000 0.912032 0.327700 N\n0.749999 0.087968 0.672299 N\n0.749999 0.412032 0.172300 N\n0.250000 0.587968 0.827700 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"C",
"N"
],
"chemical_system": "C-N-Sr",
"density": 3.173259861200013,
"density_atomic": 0.05988468737312099,
"volume": 267.1801540903015,
"volume_molar": 10.056228101314284,
"formula_full": "Sr4 C4 N8",
"formula_reduced": "SrCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6952407025,
"spacegroup": 62
},
{
"id": "jvasp-102826",
"created_at": "2022-09-04T14:36:48.374543Z",
"updated_at": "2022-09-04T14:36:48.374566Z",
"structure_string": "Sr4 C2 N4\n1.0\n5.380757 -0.000000 0.000000\n-2.690379 5.408356 0.000000\n-0.000000 -0.000000 5.469846\nSr C N\n4 2 4\ndirect\n0.395181 0.790362 0.744569 Sr\n0.604819 0.209638 0.255432 Sr\n0.104819 0.209638 0.744569 Sr\n0.895181 0.790362 0.255432 Sr\n0.250000 0.500000 0.347008 C\n0.750000 0.500000 0.652993 C\n0.364947 0.729896 0.244508 N\n0.635053 0.270105 0.755493 N\n0.135053 0.270105 0.244508 N\n0.864948 0.729896 0.755493 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"C",
"N"
],
"chemical_system": "C-N-Sr",
"density": 4.491247116739012,
"density_atomic": 0.0628226497922629,
"volume": 159.17825868643283,
"volume_molar": 9.585938797413911,
"formula_full": "Sr4 C2 N4",
"formula_reduced": "Sr2CN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.1144178240000007,
"spacegroup": 67
},
{
"id": "jvasp-56890",
"created_at": "2022-09-04T14:36:43.960037Z",
"updated_at": "2022-09-04T14:36:43.960054Z",
"structure_string": "Sr4 Br8\n1.0\n4.688560 -0.000000 0.000000\n-0.000000 7.770300 0.000000\n0.000000 0.000000 11.306242\nSr Br\n4 8\ndirect\n0.250000 0.138793 0.831977 Sr\n0.750000 0.861207 0.168023 Sr\n0.250000 0.361207 0.331977 Sr\n0.750000 0.638793 0.668023 Sr\n0.750000 0.617605 0.390138 Br\n0.250000 0.382395 0.609862 Br\n0.250000 0.615371 0.121687 Br\n0.250000 0.117605 0.109862 Br\n0.250000 0.884629 0.621687 Br\n0.750000 0.384629 0.878313 Br\n0.750000 0.882395 0.890138 Br\n0.750000 0.115371 0.378313 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.9899034992471414,
"density_atomic": 0.029133033245533634,
"volume": 411.90355631230784,
"volume_molar": 20.671176630477536,
"formula_full": "Sr4 Br8",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-100806",
"created_at": "2022-09-04T14:36:42.266471Z",
"updated_at": "2022-09-04T14:36:42.266501Z",
"structure_string": "Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-N-Sr",
"density": 4.326607259929073,
"density_atomic": 0.04220782316512852,
"volume": 189.53832252143914,
"volume_molar": 14.267830720479807,
"formula_full": "Sr4 Br1 N2 Cl1",
"formula_reduced": "Sr4BrN2Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9789149890624996,
"spacegroup": 166
},
{
"id": "jvasp-35506",
"created_at": "2022-09-04T14:37:35.493956Z",
"updated_at": "2022-09-04T14:37:35.493972Z",
"structure_string": "Sr4 Bi2 O1\n1.0\n5.027977 -0.000000 -0.000000\n-0.000000 5.027977 -0.000000\n-2.513988 -2.513988 8.750238\nSr Bi O\n4 2 1\ndirect\n0.166540 0.166540 0.333080 Sr\n0.833461 0.833461 0.666920 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.360627 0.360627 0.721252 Bi\n0.639374 0.639374 0.278748 Bi\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr",
"density": 5.888470569186587,
"density_atomic": 0.031644017031138255,
"volume": 221.2108530061743,
"volume_molar": 19.030898492040723,
"formula_full": "Sr4 Bi2 O1",
"formula_reduced": "Sr4Bi2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0857310485714287,
"spacegroup": 139
},
{
"id": "jvasp-18533",
"created_at": "2022-09-04T14:36:59.495015Z",
"updated_at": "2022-09-04T14:36:59.495041Z",
"structure_string": "Sr4 Bi2\n1.0\n4.905336 0.000000 -1.337372\n-0.364616 4.891766 -1.337372\n0.014179 0.015275 9.716815\nSr Bi\n4 2\ndirect\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.323141 0.323142 0.646283 Sr\n0.676859 0.676860 0.353717 Sr\n0.135746 0.135746 0.271491 Bi\n0.864254 0.864255 0.728509 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
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],
"chemical_system": "Bi-Sr",
"density": 5.467993656997225,
"density_atomic": 0.025711045656558594,
"volume": 233.36273756215235,
"volume_molar": 23.422387562303676,
"formula_full": "Sr4 Bi2",
"formula_reduced": "Sr2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-22440",
"created_at": "2022-09-04T14:37:49.735078Z",
"updated_at": "2022-09-04T14:37:49.735097Z",
"structure_string": "Sr4 Be4 F16\n1.0\n0.000000 5.383236 0.025358\n8.236757 0.000000 0.000000\n0.000000 -5.218972 -6.854755\nSr Be F\n4 4 16\ndirect\n0.031446 0.308031 0.331052 Sr\n0.968555 0.808031 0.168948 Sr\n0.968555 0.691969 0.668948 Sr\n0.031447 0.191969 0.831053 Sr\n0.431377 0.953590 0.683628 Be\n0.568625 0.453590 0.816373 Be\n0.568625 0.046410 0.316373 Be\n0.431376 0.546411 0.183628 Be\n0.299625 0.542718 0.303760 F\n0.700376 0.042718 0.196240 F\n0.760672 0.317421 0.970913 F\n0.239330 0.817421 0.529088 F\n0.239330 0.682579 0.029087 F\n0.760671 0.182579 0.470913 F\n0.410357 0.123469 0.597951 F\n0.208163 0.411965 0.678512 F\n0.589644 0.876531 0.402050 F\n0.410357 0.376531 0.097950 F\n0.299625 0.957283 0.803760 F\n0.791839 0.911965 0.821489 F\n0.791838 0.588035 0.321489 F\n0.208163 0.088035 0.178511 F\n0.589645 0.623470 0.902050 F\n0.700377 0.457282 0.696241 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Be",
"F"
],
"chemical_system": "Be-F-Sr",
"density": 3.786025583010057,
"density_atomic": 0.07924648462696658,
"volume": 302.85255065854494,
"volume_molar": 7.599252873294951,
"formula_full": "Sr4 Be4 F16",
"formula_reduced": "SrBeF4",
"formula_anonymous": "ABC4",
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"spacegroup": 14
},
{
"id": "jvasp-34597",
"created_at": "2022-09-04T14:37:11.768161Z",
"updated_at": "2022-09-04T14:37:11.768171Z",
"structure_string": "Sr4 Be4 B4 O14\n1.0\n2.358381 -4.084836 0.000000\n2.358381 4.084836 -0.000000\n0.000000 0.000000 15.495386\nSr Be B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.602045 Be\n0.333333 0.666667 0.397955 Be\n0.333333 0.666667 0.102045 Be\n0.333333 0.666667 0.897955 Be\n0.666667 0.333333 0.635758 B\n0.666667 0.333333 0.864243 B\n0.666667 0.333333 0.135758 B\n0.666667 0.333333 0.364242 B\n0.392236 0.025002 0.863229 O\n0.974998 0.607763 0.136771 O\n0.392236 0.367234 0.136771 O\n0.333333 0.666667 0.500000 O\n0.632766 0.025002 0.363229 O\n0.632766 0.025002 0.136771 O\n0.974998 0.367233 0.636771 O\n0.392236 0.367234 0.363229 O\n0.974998 0.607763 0.363229 O\n0.632766 0.607764 0.636771 O\n0.392236 0.025002 0.636771 O\n0.974998 0.367233 0.863229 O\n0.632766 0.607764 0.863229 O\n0.333333 0.666667 0.000000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Be",
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"O"
],
"chemical_system": "B-Be-O-Sr",
"density": 3.63621312666643,
"density_atomic": 0.08708680561912234,
"volume": 298.5526890687902,
"volume_molar": 6.91510122249526,
"formula_full": "Sr4 Be4 B4 O14",
"formula_reduced": "Sr2Be2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.449089575897436,
"spacegroup": 188
},
{
"id": "jvasp-65225",
"created_at": "2022-09-04T14:35:51.734041Z",
"updated_at": "2022-09-04T14:35:51.734064Z",
"structure_string": "Sr4 Be1 V1\n1.0\n-0.000000 4.811319 4.811319\n4.811319 -0.000000 4.811319\n4.811319 4.811319 -0.000000\nSr Be V\n4 1 1\ndirect\n0.125579 0.624807 0.624807 Sr\n0.624807 0.624807 0.624807 Sr\n0.624807 0.125579 0.624807 Sr\n0.624807 0.624807 0.125579 Sr\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n",
"nsites": 6,
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"elements": [
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"V"
],
"chemical_system": "Be-Sr-V",
"density": 3.059635125879047,
"density_atomic": 0.026935732933319176,
"volume": 222.75243130949195,
"volume_molar": 22.35744159963319,
"formula_full": "Sr4 Be1 V1",
"formula_reduced": "Sr4BeV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9547042566666668,
"spacegroup": 216
},
{
"id": "jvasp-62546",
"created_at": "2022-09-04T14:36:14.127246Z",
"updated_at": "2022-09-04T14:36:14.127255Z",
"structure_string": "Sr4 B8 S16\n1.0\n0.000000 6.105574 0.038582\n14.199211 0.000000 0.000000\n0.000000 -2.238245 -6.084623\nSr B S\n4 8 16\ndirect\n0.195691 0.897618 0.311731 Sr\n0.304308 0.397618 0.688269 Sr\n0.804308 0.102382 0.688269 Sr\n0.695690 0.602382 0.311731 Sr\n0.068369 0.584334 0.965076 B\n0.431630 0.084334 0.034923 B\n0.568369 0.915666 0.965077 B\n0.931630 0.415666 0.034923 B\n0.181510 0.227680 0.232239 B\n0.681510 0.272320 0.232239 B\n0.818488 0.772320 0.767761 B\n0.318489 0.727680 0.767761 B\n0.827910 0.900711 0.866812 S\n0.059935 0.303705 0.971756 S\n0.440064 0.803705 0.028243 S\n0.327910 0.599289 0.866812 S\n0.172089 0.099289 0.133188 S\n0.672089 0.400711 0.133188 S\n0.502743 0.738021 0.580691 S\n0.851354 0.492314 0.764894 S\n0.497256 0.261979 0.419309 S\n0.002743 0.761979 0.580691 S\n0.148645 0.507686 0.235106 S\n0.351354 0.007686 0.764894 S\n0.559935 0.196295 0.971756 S\n0.648645 0.992314 0.235106 S\n0.997256 0.238021 0.419309 S\n0.940063 0.696295 0.028244 S\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "B-S-Sr",
"density": 2.997524019751717,
"density_atomic": 0.053204007163160115,
"volume": 526.2761489775145,
"volume_molar": 11.318960884904724,
"formula_full": "Sr4 B8 S16",
"formula_reduced": "Sr(BS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
},
{
"id": "jvasp-97580",
"created_at": "2022-09-04T14:38:15.017596Z",
"updated_at": "2022-09-04T14:38:15.017621Z",
"structure_string": "Sr4 B8 S16\n1.0\n6.109535 0.000989 0.000000\n-2.277410 6.067503 0.000000\n0.000000 0.000000 14.212848\nSr B S\n4 8 16\ndirect\n0.196494 0.311986 0.102179 Sr\n0.803506 0.688014 0.897821 Sr\n0.696495 0.311986 0.397821 Sr\n0.303506 0.688014 0.602179 Sr\n0.181175 0.232372 0.772310 B\n0.318825 0.767628 0.272310 B\n0.068671 0.964912 0.415617 B\n0.681176 0.232372 0.727690 B\n0.431329 0.035087 0.915617 B\n0.931330 0.035087 0.584383 B\n0.568671 0.964912 0.084383 B\n0.818826 0.767628 0.227690 B\n0.351424 0.764154 0.992271 S\n0.502794 0.579779 0.261920 S\n0.648577 0.235846 0.007729 S\n0.851424 0.764154 0.507729 S\n0.940506 0.028767 0.303671 S\n0.559495 0.971233 0.803672 S\n0.059495 0.971232 0.696329 S\n0.328919 0.867082 0.400825 S\n0.171081 0.132918 0.900825 S\n0.828920 0.867082 0.099175 S\n0.002794 0.579779 0.238080 S\n0.997207 0.420221 0.761920 S\n0.497206 0.420220 0.738080 S\n0.148577 0.235846 0.492271 S\n0.440505 0.028767 0.196329 S\n0.671081 0.132918 0.599175 S\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.9939924759167544,
"density_atomic": 0.05314132466845639,
"volume": 526.8969144952503,
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"formula_full": "Sr4 B8 S16",
"formula_reduced": "Sr(BS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 14
}
]
}