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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4204",
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"results": [
{
"id": "jvasp-44400",
"created_at": "2022-09-04T14:38:34.811995Z",
"updated_at": "2022-09-04T14:38:34.812010Z",
"structure_string": "Li6 Fe1 O6\n1.0\n5.383323 0.026458 0.001366\n2.396537 4.818415 0.001361\n2.413640 1.504475 4.570757\nLi Fe O\n6 1 6\ndirect\n0.716938 0.493276 0.076088 Li\n0.923895 0.282629 0.506479 Li\n0.506744 0.923991 0.282773 Li\n0.493256 0.076009 0.717228 Li\n0.076105 0.717371 0.493522 Li\n0.283062 0.506724 0.923914 Li\n0.000000 0.000000 0.000000 Fe\n0.904360 0.651705 0.202465 O\n0.797183 0.095361 0.348258 O\n0.348050 0.797219 0.095826 O\n0.651949 0.202781 0.904175 O\n0.202816 0.904640 0.651743 O\n0.095640 0.348295 0.797536 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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],
"chemical_system": "Fe-Li-O",
"density": 2.717079533318229,
"density_atomic": 0.10993700899818636,
"volume": 118.24953324148069,
"volume_molar": 5.477810261419198,
"formula_full": "Li6 Fe1 O6",
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"formula_anonymous": "AB6C6",
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"spacegroup": 148
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{
"id": "jvasp-48959",
"created_at": "2022-09-04T14:36:02.592703Z",
"updated_at": "2022-09-04T14:36:02.592733Z",
"structure_string": "Li6 Fe2 B4 O12\n1.0\n5.012503 -0.018426 -0.006314\n0.051564 6.177110 -0.090936\n0.075489 2.037620 7.639572\nLi Fe B O\n6 2 4 12\ndirect\n0.172842 0.763642 0.890989 Li\n0.827663 0.531686 0.763569 Li\n0.325763 0.603191 0.574626 Li\n0.176035 0.469460 0.240771 Li\n0.677933 0.397978 0.429720 Li\n0.830843 0.237514 0.113349 Li\n0.348445 0.951423 0.232436 Fe\n0.655240 0.049726 0.771897 Fe\n0.336968 0.333140 0.927340 B\n0.169077 0.177941 0.586264 B\n0.834618 0.823213 0.418072 B\n0.666728 0.668017 0.076998 B\n0.215986 0.220892 0.085315 O\n0.787712 0.780270 0.919025 O\n0.114246 0.822473 0.412229 O\n0.699021 0.669467 0.537969 O\n0.396785 0.723983 0.102419 O\n0.205898 0.493504 0.811806 O\n0.606906 0.277169 0.901915 O\n0.797798 0.507651 0.192533 O\n0.304677 0.331691 0.466373 O\n0.889450 0.178686 0.592111 O\n0.296711 0.016400 0.717269 O\n0.706982 0.984741 0.287060 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.717020366621627,
"density_atomic": 0.10106077894018332,
"volume": 237.48085312310243,
"volume_molar": 5.958929688800869,
"formula_full": "Li6 Fe2 B4 O12",
"formula_reduced": "Li3Fe(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.7527826388888887,
"spacegroup": 2
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"N",
"O"
],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"id": "jvasp-102241",
"created_at": "2022-09-04T14:36:42.445418Z",
"updated_at": "2022-09-04T14:36:42.445441Z",
"structure_string": "Na2 Ti1 N2\n1.0\n3.131094 0.000117 0.000357\n-1.565646 2.711583 0.000192\n-0.001632 -0.001288 8.773121\nNa Ti N\n2 1 2\ndirect\n0.666678 0.333326 0.294196 Na\n0.333319 0.666673 0.705804 Na\n0.000000 0.000000 0.000000 Ti\n0.666639 0.333325 0.877090 N\n0.333359 0.666674 0.122910 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ti",
"N"
],
"chemical_system": "N-Na-Ti",
"density": 2.716611511534304,
"density_atomic": 0.06712549305239673,
"volume": 74.48734858598515,
"volume_molar": 8.97146596047979,
"formula_full": "Na2 Ti1 N2",
"formula_reduced": "Na2TiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.563200566666666,
"spacegroup": 164
},
{
"id": "jvasp-2014",
"created_at": "2022-09-04T14:36:30.444076Z",
"updated_at": "2022-09-04T14:36:30.444099Z",
"structure_string": "Rb1 H1\n1.0\n3.648460 0.000000 2.106440\n1.216153 3.439802 2.106440\n0.000000 0.000000 4.212880\nRb H\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 H\n",
"nsites": 2,
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"elements": [
"Rb",
"H"
],
"chemical_system": "H-Rb",
"density": 2.7159468195467986,
"density_atomic": 0.03782752029560513,
"volume": 52.87155976312737,
"volume_molar": 15.919998754715264,
"formula_full": "Rb1 H1",
"formula_reduced": "RbH",
"formula_anonymous": "AB",
"energy_above_hull": 0.4012599999999998,
"spacegroup": 225
},
{
"id": "jvasp-119186",
"created_at": "2022-09-04T14:38:36.335871Z",
"updated_at": "2022-09-04T14:38:36.335886Z",
"structure_string": "Ga1 H6 N2 F3\n1.0\n4.064977 -0.065058 3.266072\n2.128081 3.464035 3.266072\n-0.076207 -0.041825 6.832909\nGa H N F\n1 6 2 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.826597 0.826597 0.032736 H\n0.173403 0.173402 0.967264 H\n0.367226 0.957437 0.767910 H\n0.042562 0.632774 0.232090 H\n0.632774 0.042562 0.232090 H\n0.957438 0.367226 0.767910 H\n0.779914 0.779914 0.218387 N\n0.220086 0.220085 0.781613 N\n0.481529 0.481529 0.236184 F\n0.518471 0.518471 0.763816 F\n0.000000 -0.000001 0.500000 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 2.715844249559729,
"density_atomic": 0.12206945659537843,
"volume": 98.30468927027502,
"volume_molar": 4.933372301280482,
"formula_full": "Ga1 H6 N2 F3",
"formula_reduced": "GaH6N2F3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4261158060416665,
"spacegroup": 12
},
{
"id": "jvasp-122427",
"created_at": "2022-09-04T14:38:54.116514Z",
"updated_at": "2022-09-04T14:38:54.116533Z",
"structure_string": "Na4 B2 S2 O8 F6\n1.0\n5.985551 0.010846 2.658626\n0.456879 6.525221 0.629888\n0.030266 -0.018113 6.584028\nNa B S O F\n4 2 2 8 6\ndirect\n0.730066 0.850746 0.392774 Na\n0.269934 0.149255 0.607227 Na\n0.729914 0.407488 0.762207 Na\n0.270087 0.592513 0.237794 Na\n0.829780 0.882628 0.863441 B\n0.170220 0.117373 0.136560 B\n0.226049 0.644810 0.728534 S\n0.773951 0.355191 0.271467 S\n0.648854 0.206037 0.449614 O\n0.351147 0.793964 0.550387 O\n0.858465 0.507190 0.363487 O\n0.141535 0.492811 0.636514 O\n0.350112 0.552242 0.858373 O\n0.981837 0.234510 0.097826 O\n0.018164 0.765491 0.902175 O\n0.649889 0.447759 0.141628 O\n0.662019 0.917899 0.075581 F\n0.751091 0.774160 0.737349 F\n0.248909 0.225841 0.262652 F\n0.900391 0.073846 0.743719 F\n0.099609 0.926155 0.256282 F\n0.337982 0.082102 0.924420 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"B",
"S",
"O",
"F"
],
"chemical_system": "B-F-Na-O-S",
"density": 2.7155499939841765,
"density_atomic": 0.08572269879174722,
"volume": 256.6414766460666,
"volume_molar": 7.025141350985754,
"formula_full": "Na4 B2 S2 O8 F6",
"formula_reduced": "Na2BSO4F3",
"formula_anonymous": "ABC2D3E4",
"energy_above_hull": 1.3424568573484852,
"spacegroup": 2
},
{
"id": "jvasp-117983",
"created_at": "2022-09-04T14:38:49.348705Z",
"updated_at": "2022-09-04T14:38:49.348724Z",
"structure_string": "Ca1 N1 O2\n1.0\n3.500838 -0.000000 -0.000000\n-0.000000 3.500838 -0.000000\n0.000000 0.000000 4.296123\nCa N O\n1 1 2\ndirect\n0.500001 0.500001 0.495840 Ca\n0.000000 0.000000 0.910185 N\n0.000000 0.000000 0.608257 O\n0.500001 0.500001 0.995716 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"N",
"O"
],
"chemical_system": "Ca-N-O",
"density": 2.714865246278969,
"density_atomic": 0.07596949781630155,
"volume": 52.65271082444459,
"volume_molar": 7.927050899509524,
"formula_full": "Ca1 N1 O2",
"formula_reduced": "CaNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1677901675,
"spacegroup": 99
},
{
"id": "jvasp-9072",
"created_at": "2022-09-04T14:37:05.384207Z",
"updated_at": "2022-09-04T14:37:05.384233Z",
"structure_string": "Ca6 N4\n1.0\n5.437737 -0.006232 3.662536\n1.945718 5.077716 3.662536\n-0.009073 -0.006232 6.556147\nCa N\n6 4\ndirect\n0.750000 0.450446 0.049554 Ca\n0.049554 0.750001 0.450446 Ca\n0.450446 0.049555 0.750000 Ca\n0.950446 0.250001 0.549554 Ca\n0.250000 0.549555 0.950446 Ca\n0.549555 0.950447 0.250000 Ca\n0.853962 0.853962 0.853961 N\n0.646040 0.646040 0.646039 N\n0.146040 0.146040 0.146040 N\n0.353961 0.353961 0.353961 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-N",
"density": 2.7148407061829323,
"density_atomic": 0.05514144895378043,
"volume": 181.35178145902552,
"volume_molar": 10.921259550230099,
"formula_full": "Ca6 N4",
"formula_reduced": "Ca3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.714913552,
"spacegroup": 167
},
{
"id": "jvasp-24425",
"created_at": "2022-09-04T14:38:31.833177Z",
"updated_at": "2022-09-04T14:38:31.833208Z",
"structure_string": "Rb4 Li2 V2 S8\n1.0\n5.610293 -0.000000 1.407999\n2.805147 6.529223 0.703999\n-0.010275 0.000000 11.922291\nRb Li V S\n4 2 2 8\ndirect\n0.446488 0.750000 0.107025 Rb\n0.196487 0.250000 0.607025 Rb\n0.553511 0.250000 0.892975 Rb\n0.803512 0.750000 0.392975 Rb\n0.125000 0.750000 0.750000 Li\n0.874999 0.250000 0.250000 Li\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.197961 0.059288 0.356872 S\n0.802039 0.940712 0.643128 S\n0.445167 0.440712 0.356872 S\n0.257248 0.940712 0.856872 S\n0.554832 0.559288 0.643128 S\n0.885878 0.559288 0.856872 S\n0.742752 0.059288 0.143128 S\n0.114121 0.440712 0.143128 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Li",
"V",
"S"
],
"chemical_system": "Li-Rb-S-V",
"density": 2.714823636173756,
"density_atomic": 0.0366285136641273,
"volume": 436.81816157530426,
"volume_molar": 16.441127847068163,
"formula_full": "Rb4 Li2 V2 S8",
"formula_reduced": "Rb2LiVS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.401391775,
"spacegroup": 70
},
{
"id": "jvasp-34668",
"created_at": "2022-09-04T14:38:04.829194Z",
"updated_at": "2022-09-04T14:38:04.829205Z",
"structure_string": "K6 S2 O8 F2\n1.0\n6.304529 0.000000 -3.517155\n-1.962142 5.991417 -3.517155\n0.034505 0.047607 7.470887\nK S O F\n6 2 8 2\ndirect\n0.188508 0.688508 0.000001 K\n0.250000 0.250000 0.500001 K\n0.688508 0.811492 0.000001 K\n0.811492 0.311492 0.000001 K\n0.311492 0.188508 0.000000 K\n0.750000 0.750001 0.500002 K\n0.750000 0.250000 0.500001 S\n0.250000 0.750001 0.500001 S\n0.711196 0.448065 0.659261 O\n0.948064 0.211196 0.659261 O\n0.551936 0.051936 0.340740 O\n0.051936 0.788804 0.340741 O\n0.288804 0.551936 0.340741 O\n0.788804 0.288804 0.340741 O\n0.448064 0.948065 0.659262 O\n0.211196 0.711197 0.659261 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000001 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 2.7141966886873607,
"density_atomic": 0.06331126888161104,
"volume": 284.30957581436434,
"volume_molar": 9.511957138722186,
"formula_full": "K6 S2 O8 F2",
"formula_reduced": "K3SO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.8857042536111115,
"spacegroup": 140
},
{
"id": "jvasp-42689",
"created_at": "2022-09-04T14:37:07.777126Z",
"updated_at": "2022-09-04T14:37:07.777142Z",
"structure_string": "Li2 Mn2 P2 H4 O10\n1.0\n4.685520 0.000000 0.000000\n0.000000 5.744080 0.000000\n0.000000 0.000000 7.951426\nLi Mn P H O\n2 2 2 4 10\ndirect\n0.089075 0.000000 0.448810 Li\n0.589075 0.500000 0.551190 Li\n0.027704 0.000000 0.977739 Mn\n0.527704 0.500000 0.022261 Mn\n0.593733 0.000000 0.236300 P\n0.093732 0.500000 0.763701 P\n0.066594 0.636419 0.212917 H\n0.566594 0.863581 0.787083 H\n0.566594 0.136419 0.787083 H\n0.066594 0.363581 0.212917 H\n0.222388 0.714935 0.860803 O\n0.264081 0.000000 0.222744 O\n0.687985 0.000000 0.420461 O\n0.695059 0.000000 0.785144 O\n0.722388 0.214935 0.139197 O\n0.222388 0.285065 0.860803 O\n0.195059 0.500000 0.214857 O\n0.187985 0.500000 0.579540 O\n0.764081 0.500000 0.777256 O\n0.722388 0.785065 0.139197 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.7136909992828753,
"density_atomic": 0.0934558944229811,
"volume": 214.004693053175,
"volume_molar": 6.44383192433407,
"formula_full": "Li2 Mn2 P2 H4 O10",
"formula_reduced": "LiMnPH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.830895024137931,
"spacegroup": 31
}
]
}