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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1293",
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"results": [
{
"id": "jvasp-104900",
"created_at": "2022-09-04T14:36:45.219242Z",
"updated_at": "2022-09-04T14:36:45.219258Z",
"structure_string": "Rb6 Bi4\n1.0\n6.862785 0.004474 1.316113\n-0.503659 6.844280 1.316113\n-0.059378 -0.063950 9.735205\nRb Bi\n6 4\ndirect\n0.657426 0.757575 0.514414 Rb\n0.342574 0.242425 0.485586 Rb\n0.242425 0.342574 0.985586 Rb\n0.757575 0.657425 0.014413 Rb\n0.842275 0.157725 0.750000 Rb\n0.157725 0.842274 0.250000 Rb\n0.318122 0.884491 0.843923 Bi\n0.681879 0.115509 0.156077 Bi\n0.115509 0.681878 0.656077 Bi\n0.884491 0.318121 0.343923 Bi\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.021812770465701427,
"volume": 458.44703751520603,
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"formula_full": "Rb6 Bi4",
"formula_reduced": "Rb3Bi2",
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{
"id": "jvasp-86208",
"created_at": "2022-09-04T14:38:16.809830Z",
"updated_at": "2022-09-04T14:38:16.809852Z",
"structure_string": "Rb6 Bi2\n1.0\n6.432406 -0.000000 -0.000000\n-3.216203 5.570628 0.000000\n-0.000000 -0.000000 11.370204\nRb Bi\n6 2\ndirect\n0.333334 0.666667 0.917981 Rb\n0.666668 0.333333 0.417981 Rb\n0.000000 0.000000 0.250000 Rb\n0.666668 0.333333 0.082019 Rb\n0.000000 0.000000 0.750000 Rb\n0.333334 0.666667 0.582019 Rb\n0.666668 0.333333 0.750000 Bi\n0.333334 0.666667 0.250000 Bi\n",
"nsites": 8,
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"spacegroup": 194
},
{
"id": "jvasp-86810",
"created_at": "2022-09-04T14:35:49.300074Z",
"updated_at": "2022-09-04T14:35:49.300106Z",
"structure_string": "Rb6 Bi2\n1.0\n6.432406 -0.000000 -0.000000\n-3.216203 5.570628 -0.000000\n-0.000000 -0.000000 11.370204\nRb Bi\n6 2\ndirect\n0.333334 0.666667 0.917981 Rb\n0.666668 0.333333 0.417981 Rb\n0.000000 0.000000 0.250000 Rb\n0.666668 0.333333 0.082019 Rb\n0.000000 0.000000 0.750000 Rb\n0.333334 0.666667 0.582019 Rb\n0.666668 0.333333 0.750000 Bi\n0.333334 0.666667 0.250000 Bi\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.019635597636860427,
"volume": 407.42330067826424,
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"formula_full": "Rb6 Bi2",
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-49219",
"created_at": "2022-09-04T14:38:04.274619Z",
"updated_at": "2022-09-04T14:38:04.274646Z",
"structure_string": "Rb6 B6 S12\n1.0\n9.005831 -0.071978 -3.510721\n-5.114921 7.412674 -3.510721\n-0.038152 -0.071977 9.665851\nRb B S\n6 6 12\ndirect\n0.697354 0.802645 0.250000 Rb\n0.802645 0.249999 0.697354 Rb\n0.302645 0.197354 0.750000 Rb\n0.750000 0.302645 0.197354 Rb\n0.197354 0.749999 0.302645 Rb\n0.250000 0.697354 0.802645 Rb\n0.862837 0.749999 0.637162 B\n0.750000 0.637162 0.862837 B\n0.637163 0.862836 0.750000 B\n0.137163 0.250000 0.362837 B\n0.362837 0.137163 0.250000 B\n0.250000 0.362837 0.137163 B\n0.250000 0.133183 0.366817 S\n0.973909 0.749999 0.526090 S\n0.750000 0.526090 0.973909 S\n0.526090 0.973909 0.750000 S\n0.026090 0.250000 0.473909 S\n0.250000 0.473909 0.026090 S\n0.473909 0.026090 0.250000 S\n0.750000 0.866816 0.633182 S\n0.866817 0.633182 0.750000 S\n0.366817 0.250000 0.133183 S\n0.133183 0.366817 0.250000 S\n0.633183 0.749999 0.866817 S\n",
"nsites": 24,
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"elements": [
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"B",
"S"
],
"chemical_system": "B-Rb-S",
"density": 2.5083948477307487,
"density_atomic": 0.037668524070783194,
"volume": 637.136723352936,
"volume_molar": 15.98719596415233,
"formula_full": "Rb6 B6 S12",
"formula_reduced": "RbBS2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
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"elements": [
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"B",
"P"
],
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"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"B",
"As"
],
"chemical_system": "As-B-Rb",
"density": 3.37109212466193,
"density_atomic": 0.029206312936137267,
"volume": 410.87007546071584,
"volume_molar": 20.619311904135436,
"formula_full": "Rb6 B2 As4",
"formula_reduced": "Rb3BAs2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.094796013888889,
"spacegroup": 15
},
{
"id": "jvasp-27812",
"created_at": "2022-09-04T14:37:10.660807Z",
"updated_at": "2022-09-04T14:37:10.660823Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"As",
"Se"
],
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"density": 4.511459440430067,
"density_atomic": 0.03407399429064625,
"volume": 1173.9157921670637,
"volume_molar": 17.673715352042407,
"formula_full": "Rb6 As2 Se32",
"formula_reduced": "Rb3AsSe16",
"formula_anonymous": "AB3C16",
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"spacegroup": 203
},
{
"id": "jvasp-25548",
"created_at": "2022-09-04T14:38:09.976337Z",
"updated_at": "2022-09-04T14:38:09.976360Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
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"elements": [
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"formula_full": "Rb6 As2 Se32",
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"spacegroup": 203
},
{
"id": "jvasp-15985",
"created_at": "2022-09-04T14:35:43.318462Z",
"updated_at": "2022-09-04T14:35:43.318492Z",
"structure_string": "Rb6 As2\n1.0\n3.028910 -5.246226 0.000000\n3.028910 5.246226 -0.000000\n-0.000000 -0.000000 10.691612\nRb As\n6 2\ndirect\n0.333333 0.666667 0.580342 Rb\n0.666667 0.333333 0.080342 Rb\n0.666667 0.333333 0.419658 Rb\n0.333333 0.666667 0.919658 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
"nsites": 8,
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"elements": [
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"volume": 339.786836373224,
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"spacegroup": 194
},
{
"id": "jvasp-11366",
"created_at": "2022-09-04T14:37:03.751567Z",
"updated_at": "2022-09-04T14:37:03.751594Z",
"structure_string": "Rb6 Al2 O6\n1.0\n6.719959 0.025292 -0.891258\n-3.001033 6.012678 -0.891258\n-0.009403 -0.015267 6.786315\nRb Al O\n6 2 6\ndirect\n0.369506 0.369506 0.652924 Rb\n0.630494 0.630494 0.347075 Rb\n0.196375 0.803625 0.499999 Rb\n0.803625 0.196374 0.499999 Rb\n0.269380 0.730620 -0.000000 Rb\n0.730620 0.269380 -0.000000 Rb\n0.842137 0.842136 0.854195 Al\n0.157864 0.157863 0.145804 Al\n0.852058 0.596651 0.738295 O\n0.403349 0.147943 0.261704 O\n0.147943 0.403348 0.261704 O\n0.596652 0.852057 0.738295 O\n0.902726 0.902726 0.135620 O\n0.097275 0.097274 0.864379 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Al",
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],
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"density": 4.008799826596408,
"density_atomic": 0.05099562355928202,
"volume": 274.5333623330462,
"volume_molar": 11.809132509183474,
"formula_full": "Rb6 Al2 O6",
"formula_reduced": "Rb3AlO3",
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"spacegroup": 12
},
{
"id": "jvasp-38171",
"created_at": "2022-09-04T14:37:52.510198Z",
"updated_at": "2022-09-04T14:37:52.510224Z",
"structure_string": "Rb6 Ac2\n1.0\n4.566127 -7.908763 -0.000000\n4.566127 7.908763 -0.000000\n0.000000 -0.000000 7.553980\nRb Ac\n6 2\ndirect\n0.659822 0.829911 0.250000 Rb\n0.170090 0.829911 0.250000 Rb\n0.170089 0.340179 0.250000 Rb\n0.340179 0.170089 0.750000 Rb\n0.829911 0.170090 0.750000 Rb\n0.829911 0.659822 0.750000 Rb\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ac-Rb",
"density": 2.942567402451156,
"density_atomic": 0.014663161326107574,
"volume": 545.5849405241215,
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"formula_full": "Rb6 Ac2",
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"spacegroup": 194
},
{
"id": "jvasp-101697",
"created_at": "2022-09-04T14:36:35.267668Z",
"updated_at": "2022-09-04T14:36:35.267687Z",
"structure_string": "Rb5 Bi4\n1.0\n6.683177 -0.037002 2.447275\n4.184496 5.211163 2.447275\n0.008929 0.004251 11.967078\nRb Bi\n5 4\ndirect\n0.406189 0.406188 0.888523 Rb\n0.601921 0.601920 0.106560 Rb\n0.751542 0.751541 0.664488 Rb\n0.256851 0.256850 0.330681 Rb\n0.504703 0.504702 0.497223 Rb\n0.051363 0.051362 0.671021 Bi\n0.956757 0.956756 0.324194 Bi\n0.113920 0.113920 0.889044 Bi\n0.894160 0.894159 0.106164 Bi\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Bi-Rb",
"density": 5.01251585089887,
"density_atomic": 0.021505830565481297,
"volume": 418.4911609247853,
"volume_molar": 28.002363087831874,
"formula_full": "Rb5 Bi4",
"formula_reduced": "Rb5Bi4",
"formula_anonymous": "A4B5",
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"spacegroup": 12
}
]
}