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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1265",
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"results": [
{
"id": "jvasp-112917",
"created_at": "2022-09-04T14:38:43.137178Z",
"updated_at": "2022-09-04T14:38:43.137206Z",
"structure_string": "Li5 Mn3 O8\n1.0\n4.805850 -0.015949 -1.432286\n-0.832904 4.848438 0.000961\n-0.008234 0.002533 5.685919\nLi Mn O\n5 3 8\ndirect\n0.494355 0.241315 0.868086 Li\n0.505646 0.758685 0.131913 Li\n0.495640 0.761523 0.618296 Li\n0.504362 0.238476 0.381704 Li\n0.000000 -0.000000 0.500001 Li\n0.000000 -0.000000 -0.000000 Mn\n0.000504 0.499567 0.256739 Mn\n-0.000503 0.500433 0.743261 Mn\n0.225471 0.861162 0.820350 O\n0.222597 0.366937 0.055572 O\n0.231113 0.392944 0.559169 O\n0.228234 0.862702 0.294278 O\n0.777405 0.633062 0.944428 O\n0.774530 0.138838 0.179650 O\n0.771767 0.137297 0.705722 O\n0.768889 0.607056 0.440831 O\n",
"nsites": 16,
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"elements": [
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"volume": 132.35713409684433,
"volume_molar": 4.9817080757587,
"formula_full": "Li5 Mn3 O8",
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"formula_anonymous": "A3B5C8",
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"spacegroup": 2
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{
"id": "jvasp-95085",
"created_at": "2022-09-04T14:36:03.075010Z",
"updated_at": "2022-09-04T14:36:03.075038Z",
"structure_string": "K8 Bi4 Mo4 P4 O32\n1.0\n6.773372 0.000000 2.048018\n1.926686 10.564166 5.852640\n-0.001508 -0.031701 12.229722\nK Bi Mo P O\n8 4 4 4 32\ndirect\n0.121981 0.764915 0.424278 K\n0.621981 0.924278 0.264914 K\n0.811173 0.575722 0.235086 K\n0.878018 0.235086 0.575722 K\n0.188826 0.424278 0.764914 K\n0.311174 0.735086 0.075722 K\n0.378018 0.075722 0.735086 K\n0.688826 0.264914 0.924278 K\n0.250000 0.827826 0.672174 Bi\n0.750000 0.672175 0.827826 Bi\n0.250000 0.327826 0.172174 Bi\n0.750000 0.172174 0.327826 Bi\n0.168801 0.081199 0.081199 Mo\n0.331199 0.418802 0.418801 Mo\n0.831199 0.918802 0.918801 Mo\n0.668801 0.581199 0.581199 Mo\n0.250000 0.071827 0.428173 P\n0.750000 0.928174 0.571826 P\n0.250000 0.571827 0.928173 P\n0.750000 0.428174 0.071827 P\n0.430357 0.138555 0.338435 O\n0.413046 0.661943 0.601939 O\n0.661604 0.418826 0.643799 O\n0.160174 0.561347 0.063209 O\n0.161604 0.143800 0.918825 O\n0.676928 0.838057 0.898060 O\n0.715269 0.063210 0.561346 O\n0.913046 0.101940 0.161943 O\n0.724230 0.081175 0.856201 O\n0.215270 0.061346 0.563210 O\n0.086954 0.898061 0.838057 O\n0.823071 0.601940 0.661943 O\n0.338396 0.581175 0.356200 O\n0.660174 0.563210 0.061346 O\n0.339826 0.436791 0.938653 O\n0.907347 0.361445 0.161565 O\n0.069643 0.161565 0.361445 O\n0.323071 0.161943 0.101939 O\n0.775769 0.643800 0.418825 O\n0.224231 0.356201 0.581174 O\n0.275770 0.918826 0.143799 O\n0.176929 0.398061 0.338057 O\n0.784730 0.938654 0.436790 O\n0.569643 0.861446 0.661565 O\n0.839825 0.438654 0.936790 O\n0.284730 0.936791 0.438653 O\n0.407347 0.661565 0.861445 O\n0.092653 0.638555 0.838435 O\n0.586954 0.338057 0.398060 O\n0.592653 0.338435 0.138555 O\n0.838396 0.856201 0.081174 O\n0.930357 0.838435 0.638555 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"K",
"Bi",
"Mo",
"P",
"O"
],
"chemical_system": "Bi-K-Mo-O-P",
"density": 4.109066003309152,
"density_atomic": 0.059342960875996185,
"volume": 876.2623103464599,
"volume_molar": 10.148028799209973,
"formula_full": "K8 Bi4 Mo4 P4 O32",
"formula_reduced": "K2BiMoPO8",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.4097145923076924,
"spacegroup": 73
},
{
"id": "jvasp-74854",
"created_at": "2022-09-04T14:35:55.515412Z",
"updated_at": "2022-09-04T14:35:55.515427Z",
"structure_string": "Sr2 Zr1 Be1\n1.0\n-2.699507 2.699507 3.819082\n2.699507 -2.699507 3.819082\n2.699507 2.699507 -3.819082\nSr Zr Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500001 Sr\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Be"
],
"chemical_system": "Be-Sr-Zr",
"density": 4.109086296432286,
"density_atomic": 0.03593123136961995,
"volume": 111.32376619249465,
"volume_molar": 16.7601847486133,
"formula_full": "Sr2 Zr1 Be1",
"formula_reduced": "Sr2ZrBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.445480805,
"spacegroup": 216
},
{
"id": "jvasp-67137",
"created_at": "2022-09-04T14:36:06.171674Z",
"updated_at": "2022-09-04T14:36:06.171692Z",
"structure_string": "Be2 Mo1 Cl1\n1.0\n2.838111 -0.000000 -0.000000\n-0.000000 2.838111 0.000000\n-0.000000 0.000000 7.496278\nBe Mo Cl\n2 1 1\ndirect\n0.000000 0.000000 0.007374 Be\n0.500000 0.500000 0.130342 Be\n0.500000 0.500000 0.793971 Mo\n0.000000 0.000000 0.568313 Cl\n",
"nsites": 4,
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"elements": [
"Be",
"Mo",
"Cl"
],
"chemical_system": "Be-Cl-Mo",
"density": 4.109090722664522,
"density_atomic": 0.06624537355925353,
"volume": 60.38157512119965,
"volume_molar": 9.090658617259459,
"formula_full": "Be2 Mo1 Cl1",
"formula_reduced": "Be2MoCl",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-14901",
"created_at": "2022-09-04T14:36:47.417918Z",
"updated_at": "2022-09-04T14:36:47.417928Z",
"structure_string": "Ba1 Si2\n1.0\n2.049029 -3.549022 -0.000000\n2.049029 3.549022 0.000000\n0.000000 -0.000000 5.376213\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.566689 Si\n0.333333 0.666667 0.433310 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 4.1092476842505095,
"density_atomic": 0.03836701358279536,
"volume": 78.19216873698161,
"volume_molar": 15.696141548792491,
"formula_full": "Ba1 Si2",
"formula_reduced": "BaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6516043899999997,
"spacegroup": 164
},
{
"id": "jvasp-110387",
"created_at": "2022-09-04T14:38:38.691358Z",
"updated_at": "2022-09-04T14:38:38.691379Z",
"structure_string": "Rb2 Y1 Tl1 I6\n1.0\n7.691036 -0.000000 4.440422\n2.563679 7.251178 4.440422\n-0.000000 -0.000000 8.880843\nRb Y Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Tl\n0.761643 0.238357 0.238357 I\n0.238357 0.238357 0.761642 I\n0.238358 0.761643 0.761642 I\n0.238358 0.761643 0.238357 I\n0.761643 0.238357 0.761642 I\n0.761643 0.761643 0.238357 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Tl",
"I"
],
"chemical_system": "I-Rb-Tl-Y",
"density": 4.109306361616865,
"density_atomic": 0.020190747476603158,
"volume": 495.2763641657102,
"volume_molar": 29.826239801069267,
"formula_full": "Rb2 Y1 Tl1 I6",
"formula_reduced": "Rb2YTlI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42998",
"created_at": "2022-09-04T14:38:10.680100Z",
"updated_at": "2022-09-04T14:38:10.680128Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.768295 -0.000825\n9.760868 0.000000 0.000000\n0.000000 -0.000636 -4.789031\nMn O F\n6 2 10\ndirect\n0.968820 0.000000 0.023462 Mn\n0.996594 0.657444 0.984206 Mn\n0.996594 0.342557 0.984206 Mn\n0.503399 0.157446 0.484211 Mn\n0.503399 0.842554 0.484211 Mn\n0.531173 0.500000 0.523451 Mn\n0.820946 0.500000 0.805679 O\n0.679045 0.000000 0.305679 O\n0.185919 0.823749 0.190347 F\n0.314082 0.323751 0.690347 F\n0.314082 0.676249 0.690347 F\n0.272073 0.000000 0.712439 F\n0.792084 0.832414 0.804657 F\n0.707911 0.667586 0.304656 F\n0.792084 0.167586 0.804657 F\n0.227919 0.500000 0.212438 F\n0.707911 0.332415 0.304656 F\n0.185919 0.176252 0.190347 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.109442251844891,
"density_atomic": 0.08075571954252728,
"volume": 222.89442905057527,
"volume_molar": 7.457231257568875,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 31
},
{
"id": "jvasp-90574",
"created_at": "2022-09-04T14:35:40.960427Z",
"updated_at": "2022-09-04T14:35:40.960455Z",
"structure_string": "Y6 Mg2\n1.0\n4.907767 0.000000 0.000000\n0.000000 4.907767 0.000000\n-0.000000 0.000000 9.764062\nY Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.250000 Y\n0.000000 0.500000 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.750000 Y\n0.500000 0.000000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.109673635443296,
"density_atomic": 0.03401665351204323,
"volume": 235.1789248512552,
"volume_molar": 17.703507365496513,
"formula_full": "Y6 Mg2",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-42502",
"created_at": "2022-09-04T14:36:59.310808Z",
"updated_at": "2022-09-04T14:36:59.310833Z",
"structure_string": "Na4 Ni2 O6\n1.0\n2.597146 4.502594 -0.005189\n-2.597146 4.502594 0.005189\n-1.770175 0.000000 5.278721\nNa Ni O\n4 2 6\ndirect\n0.156988 0.156989 0.500000 Na\n0.843010 0.843011 0.500000 Na\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667063 0.667063 0.000000 Ni\n0.332936 0.332936 0.000000 Ni\n0.305934 0.694065 0.800929 O\n0.067580 0.556948 0.198914 O\n0.443051 0.932419 0.198914 O\n0.932418 0.443052 0.801086 O\n0.556947 0.067581 0.801086 O\n0.694064 0.305935 0.199071 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Na-Ni-O",
"density": 4.109691815070976,
"density_atomic": 0.09726452359980388,
"volume": 123.37489102783408,
"volume_molar": 6.191508000160649,
"formula_full": "Na4 Ni2 O6",
"formula_reduced": "Na2NiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0393768166666666,
"spacegroup": 12
},
{
"id": "jvasp-112405",
"created_at": "2022-09-04T14:38:39.955466Z",
"updated_at": "2022-09-04T14:38:39.955486Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.867974 0.040253 -0.298586\n-0.157473 6.055480 -0.084399\n-0.028492 0.036834 8.360033\nLi Mn O F\n4 8 12 4\ndirect\n0.209060 0.003244 0.106174 Li\n0.709062 0.503244 0.606171 Li\n0.790941 0.996755 0.893825 Li\n0.290939 0.496754 0.393828 Li\n0.250003 0.749994 0.749998 Mn\n0.749996 0.250005 0.250002 Mn\n0.000001 0.500003 0.000000 Mn\n0.500000 -0.000003 0.500000 Mn\n0.750000 0.750003 0.249995 Mn\n-0.000001 -0.000001 0.500000 Mn\n0.500001 0.500002 0.000001 Mn\n0.249999 0.249996 0.750002 Mn\n0.241778 0.287022 0.979375 O\n0.226733 0.725033 0.975894 O\n0.726724 0.225041 0.475893 O\n0.456778 0.501975 0.764451 O\n0.956774 0.001986 0.264450 O\n0.741783 0.787030 0.479372 O\n0.543222 0.498023 0.235547 O\n0.258216 0.212969 0.520626 O\n0.773267 0.274966 0.024106 O\n0.273278 0.774958 0.524107 O\n0.043225 0.998012 0.735549 O\n0.758223 0.712977 0.020625 O\n0.472882 0.993847 0.233307 F\n0.527118 0.006151 0.766692 F\n0.027114 0.506157 0.266693 F\n0.972886 0.493841 0.733306 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.1097055115471735,
"density_atomic": 0.09425009233678996,
"volume": 297.08193706533234,
"volume_molar": 6.389533008074617,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.343736466465517,
"spacegroup": 12
},
{
"id": "jvasp-106645",
"created_at": "2022-09-04T14:37:01.105702Z",
"updated_at": "2022-09-04T14:37:01.105712Z",
"structure_string": "Rb2 Sn1 F6\n1.0\n5.310950 -0.000000 3.066278\n1.770317 5.007211 3.066278\n-0.000000 -0.000000 6.132557\nRb Sn F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.769409 0.230591 0.230592 F\n0.230592 0.769408 0.769409 F\n0.230592 0.769408 0.230592 F\n0.769409 0.230591 0.769409 F\n0.230591 0.230591 0.769409 F\n0.769409 0.769408 0.230592 F\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "F-Rb-Sn",
"density": 4.109881621662169,
"density_atomic": 0.055186494805827865,
"volume": 163.08337812840347,
"volume_molar": 10.912345096728346,
"formula_full": "Rb2 Sn1 F6",
"formula_reduced": "Rb2SnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-48978",
"created_at": "2022-09-04T14:35:52.407740Z",
"updated_at": "2022-09-04T14:35:52.407763Z",
"structure_string": "Li2 Mn4 O6 F2\n1.0\n-4.281062 4.281062 -0.000000\n4.128211 -0.152851 4.128211\n4.128211 4.128211 -0.152851\nLi Mn O F\n2 4 6 2\ndirect\n0.105235 0.210469 0.105235 Li\n0.894765 0.789531 0.894765 Li\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.739493 0.044281 0.739493 O\n0.739493 0.478987 0.304787 O\n0.304787 0.044281 0.739493 O\n0.695212 0.955720 0.260507 O\n0.260507 0.955720 0.260507 O\n0.260507 0.521013 0.695212 O\n0.764523 0.529046 0.764523 F\n0.235477 0.470955 0.235477 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.110337445984306,
"density_atomic": 0.09426458482995843,
"volume": 148.5181314409251,
"volume_molar": 6.388550663924518,
"formula_full": "Li2 Mn4 O6 F2",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.346270752179803,
"spacegroup": 166
}
]
}