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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=409",
"results": [
{
"id": "jvasp-11042",
"created_at": "2022-09-04T14:37:19.758624Z",
"updated_at": "2022-09-04T14:37:19.758641Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.062753 -0.000856 -0.000943\n0.001966 7.524717 -0.017319\n0.002803 2.493910 7.135933\nMg Mn O\n4 4 8\ndirect\n0.762029 0.947761 0.197848 Mg\n0.262016 0.072323 0.830349 Mg\n0.262025 0.320780 0.074517 Mg\n0.762022 0.699306 0.953687 Mg\n0.262028 0.824756 0.579514 Mn\n0.262028 0.573124 0.321405 Mn\n0.762021 0.446957 0.706801 Mn\n0.762025 0.195322 0.448692 Mn\n0.262023 0.314753 0.584157 O\n0.262023 0.572929 0.838983 O\n0.762024 0.447156 0.189222 O\n0.762028 0.705330 0.444044 O\n0.762025 0.946574 0.715388 O\n0.262026 0.827822 0.071496 O\n0.262021 0.073507 0.312812 O\n0.762020 0.192265 0.956701 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4892634527666235,
"density_atomic": 0.0972115355714459,
"volume": 164.58952022459056,
"volume_molar": 6.1948828650834455,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5130558228448276,
"spacegroup": 11
},
{
"id": "jvasp-42220",
"created_at": "2022-09-04T14:36:59.909600Z",
"updated_at": "2022-09-04T14:36:59.909617Z",
"structure_string": "V6 O10 F2\n1.0\n4.595835 0.004680 0.020755\n0.136199 5.429005 0.133917\n0.158065 0.566642 7.436120\nV O F\n6 10 2\ndirect\n0.500001 -0.000000 0.500000 V\n0.488195 0.658274 0.829020 V\n0.511807 0.341726 0.170981 V\n0.000001 0.500000 0.500000 V\n0.972331 0.828943 0.142005 V\n0.027671 0.171057 0.857996 V\n0.193841 0.460654 0.735210 O\n0.205016 0.132116 0.070712 O\n0.295813 0.968468 0.730100 O\n0.297148 0.632929 0.068098 O\n0.302369 0.302294 0.403260 O\n0.702854 0.367071 0.931903 O\n0.697633 0.697706 0.596741 O\n0.794987 0.867885 0.929289 O\n0.806162 0.539346 0.264791 O\n0.704189 0.031532 0.269901 O\n0.800820 0.195776 0.604431 F\n0.199182 0.804224 0.395570 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.516521437754457,
"density_atomic": 0.0972092148266814,
"volume": 185.16763078575414,
"volume_molar": 6.195030759930671,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9930555980555558,
"spacegroup": 2
},
{
"id": "jvasp-119659",
"created_at": "2022-09-04T14:38:36.677537Z",
"updated_at": "2022-09-04T14:38:36.677558Z",
"structure_string": "Ga2 Fe2 Ni2 O8\n1.0\n5.110179 0.020743 -2.917813\n-1.700861 4.796337 -2.954694\n-0.000065 -0.020743 5.884519\nGa Fe Ni O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000001 Ga\n-0.000000 0.500001 0.500001 Ga\n0.118963 0.868964 0.250001 Fe\n0.881037 0.131037 0.750001 Fe\n0.500000 0.500000 0.500001 Ni\n0.500000 -0.000000 0.000000 Ni\n0.257197 0.738731 0.981534 O\n0.257197 0.275666 0.518468 O\n0.254509 0.741165 0.513346 O\n0.727819 0.741165 0.986656 O\n0.742803 0.261270 0.018468 O\n0.742802 0.724335 0.481534 O\n0.745491 0.258835 0.486655 O\n0.272181 0.258835 0.013345 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ga",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Ga-Ni-O",
"density": 5.7247749431468105,
"density_atomic": 0.0972080785679695,
"volume": 144.0209518204906,
"volume_molar": 6.195103173229804,
"formula_full": "Ga2 Fe2 Ni2 O8",
"formula_reduced": "GaFeNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0151506035714286,
"spacegroup": 74
},
{
"id": "jvasp-49798",
"created_at": "2022-09-04T14:36:35.257100Z",
"updated_at": "2022-09-04T14:36:35.257109Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n5.015690 -0.013185 0.016777\n-0.043693 5.271990 -0.056889\n0.020551 -0.105909 6.226106\nLi Cu P O\n4 2 2 8\ndirect\n0.495412 0.160642 0.001869 Li\n-0.000179 0.327082 0.752067 Li\n0.490095 0.673107 0.745410 Li\n0.482781 0.674850 0.249150 Li\n-0.006769 0.787114 0.491051 Cu\n0.016930 0.359922 0.274084 Cu\n0.991826 0.835129 0.990030 P\n0.503441 0.172770 0.507336 P\n0.892437 0.111875 0.986446 O\n0.300734 0.823541 0.998825 O\n0.885613 0.680459 0.790202 O\n0.391187 0.312934 0.711274 O\n0.812697 0.178414 0.514113 O\n0.407125 0.890827 0.501772 O\n0.416567 0.307109 0.297535 O\n0.862694 0.704214 0.188842 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.4784575814520955,
"density_atomic": 0.09720574808360502,
"volume": 164.59931964351193,
"volume_molar": 6.195251699334137,
"formula_full": "Li4 Cu2 P2 O8",
"formula_reduced": "Li2CuPO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7153274937499998,
"spacegroup": 1
},
{
"id": "jvasp-23564",
"created_at": "2022-09-04T14:37:33.443539Z",
"updated_at": "2022-09-04T14:37:33.443564Z",
"structure_string": "Co4 B4 Mo4\n1.0\n3.247523 0.000000 0.000000\n-0.000000 5.751286 0.000000\n0.000000 0.000000 6.609622\nCo B Mo\n4 4 4\ndirect\n0.749999 0.856015 0.557441 Co\n0.250000 0.143986 0.442559 Co\n0.749999 0.356015 0.942558 Co\n0.250000 0.643986 0.057441 Co\n0.250000 0.771706 0.374796 B\n0.749999 0.228295 0.625204 B\n0.250000 0.271706 0.125204 B\n0.749999 0.728295 0.874796 B\n0.250000 0.527742 0.673831 Mo\n0.749999 0.472258 0.326168 Mo\n0.250000 0.027742 0.826168 Mo\n0.749999 0.972259 0.173831 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"B",
"Mo"
],
"chemical_system": "B-Co-Mo",
"density": 8.91448682280573,
"density_atomic": 0.09720473543415549,
"volume": 123.45077579197319,
"volume_molar": 6.195316239587191,
"formula_full": "Co4 B4 Mo4",
"formula_reduced": "CoBMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9277431277777777,
"spacegroup": 62
},
{
"id": "jvasp-47724",
"created_at": "2022-09-04T14:38:33.067403Z",
"updated_at": "2022-09-04T14:38:33.067426Z",
"structure_string": "Li4 Nb2 Cr6 O16\n1.0\n2.953860 -5.116234 0.000000\n2.953860 5.116234 -0.000000\n-0.000000 0.000000 9.530768\nLi Nb Cr O\n4 2 6 16\ndirect\n0.333333 0.666667 0.900833 Li\n0.000000 0.000000 0.994184 Li\n0.000000 0.000000 0.494184 Li\n0.666667 0.333333 0.400833 Li\n0.333333 0.666667 0.492811 Nb\n0.666667 0.333333 0.992811 Nb\n0.830678 0.661355 0.715258 Cr\n0.338645 0.169322 0.715258 Cr\n0.830678 0.169322 0.715258 Cr\n0.661355 0.830678 0.215258 Cr\n0.169322 0.338645 0.215258 Cr\n0.169322 0.830678 0.215258 Cr\n0.835031 0.164969 0.095611 O\n0.329937 0.164969 0.095611 O\n0.666667 0.333333 0.608145 O\n0.963334 0.481667 0.838679 O\n0.518333 0.036666 0.838679 O\n0.164969 0.835031 0.595611 O\n0.481667 0.963334 0.338679 O\n0.481667 0.518333 0.338679 O\n0.670063 0.835031 0.595611 O\n0.000000 0.000000 0.809332 O\n0.000000 0.000000 0.309332 O\n0.333333 0.666667 0.108145 O\n0.518333 0.481667 0.838679 O\n0.164969 0.329937 0.595611 O\n0.036666 0.518333 0.338679 O\n0.835031 0.670063 0.095611 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Nb-O",
"density": 4.505097520500896,
"density_atomic": 0.0971985598899866,
"volume": 288.070111652802,
"volume_molar": 6.19570986115032,
"formula_full": "Li4 Nb2 Cr6 O16",
"formula_reduced": "Li2NbCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.410232828571429,
"spacegroup": 186
},
{
"id": "jvasp-112769",
"created_at": "2022-09-04T14:38:42.296104Z",
"updated_at": "2022-09-04T14:38:42.296133Z",
"structure_string": "Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.039572209903594,
"density_atomic": 0.09719684620178273,
"volume": 277.78679098236813,
"volume_molar": 6.195819098387109,
"formula_full": "Li2 Fe2 P4 H3 O16",
"formula_reduced": "Li2Fe2P4H3O16",
"formula_anonymous": "A2B2C3D4E16",
"energy_above_hull": 3.0837477407407405,
"spacegroup": 1
},
{
"id": "jvasp-119376",
"created_at": "2022-09-04T14:38:50.751367Z",
"updated_at": "2022-09-04T14:38:50.751391Z",
"structure_string": "Na8 Mn4 O12\n1.0\n9.328777 -0.001504 3.521269\n7.928251 4.918385 1.857765\n-0.001156 0.004059 5.379035\nNa Mn O\n8 4 12\ndirect\n0.994146 0.994146 0.505854 Na\n0.422510 0.422511 0.577490 Na\n0.827489 0.827489 0.672511 Na\n0.255853 0.255854 0.744146 Na\n0.744147 0.744146 0.255854 Na\n0.672510 0.672511 0.827490 Na\n0.577489 0.577489 0.422511 Na\n0.505853 0.505854 0.994146 Na\n0.165795 0.165795 0.334205 Mn\n0.084204 0.084205 0.915795 Mn\n0.915796 0.915795 0.084205 Mn\n0.334205 0.334205 0.165796 Mn\n0.196455 0.803544 0.803545 O\n0.155582 0.658139 0.296548 O\n0.658139 0.155582 0.889731 O\n0.094418 0.591860 0.953454 O\n0.591860 0.094419 0.360268 O\n0.053545 0.446455 0.446456 O\n0.446455 0.053545 0.053545 O\n0.360269 0.953453 0.591861 O\n0.953453 0.360269 0.094419 O\n0.889731 0.296547 0.658139 O\n0.296548 0.889731 0.155582 O\n0.803544 0.196456 0.196456 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.005664358615745,
"density_atomic": 0.09719322171185203,
"volume": 246.93080008349355,
"volume_molar": 6.196050150342576,
"formula_full": "Na8 Mn4 O12",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5396126235632184,
"spacegroup": 70
},
{
"id": "jvasp-42745",
"created_at": "2022-09-04T14:36:13.107296Z",
"updated_at": "2022-09-04T14:36:13.107322Z",
"structure_string": "V6 O10 F2\n1.0\n0.000000 5.452414 0.075397\n4.596172 0.000000 0.000000\n0.000000 -0.650491 -7.399266\nV O F\n6 10 2\ndirect\n0.079784 0.468932 0.832230 V\n0.400583 0.519415 0.159198 V\n0.748100 0.512778 0.522311 V\n0.599416 0.019416 0.840802 V\n0.251899 0.012778 0.477689 V\n0.920216 0.968932 0.167770 V\n0.614874 0.803038 0.068843 O\n0.949496 0.795428 0.400832 O\n0.115283 0.702760 0.062868 O\n0.455077 0.693257 0.399250 O\n0.785021 0.704710 0.738075 O\n0.884717 0.202760 0.937132 O\n0.385125 0.303039 0.931157 O\n0.214978 0.204711 0.261925 O\n0.544923 0.193257 0.600751 O\n0.050503 0.295429 0.599168 O\n0.715572 0.299677 0.269711 F\n0.284427 0.799677 0.730289 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.515685539584287,
"density_atomic": 0.09719122376742993,
"volume": 185.20190715030424,
"volume_molar": 6.196177521553236,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.989691153611111,
"spacegroup": 4
},
{
"id": "jvasp-48498",
"created_at": "2022-09-04T14:36:11.692722Z",
"updated_at": "2022-09-04T14:36:11.692739Z",
"structure_string": "Co6 O4 F8\n1.0\n4.529232 0.016836 0.025760\n0.016836 4.529232 0.025760\n0.055201 0.055201 9.029097\nCo O F\n6 4 8\ndirect\n0.973158 0.945200 0.990173 Co\n0.054800 0.026843 0.343162 Co\n0.029737 0.970263 0.666667 Co\n0.508761 0.491240 0.166667 Co\n0.478891 0.516117 0.840502 Co\n0.483882 0.521109 0.492832 Co\n0.674922 0.672749 0.000351 O\n0.327251 0.325078 0.332982 O\n0.185986 0.788062 0.831718 O\n0.211938 0.814014 0.501617 O\n0.780585 0.202140 0.825784 F\n0.207910 0.792090 0.166667 F\n0.278757 0.279644 0.992410 F\n0.295905 0.323298 0.662386 F\n0.676702 0.704095 0.670947 F\n0.720356 0.721243 0.340925 F\n0.812597 0.187403 0.166667 F\n0.797860 0.219415 0.507549 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.106807820418196,
"density_atomic": 0.09718855936727297,
"volume": 185.20698441447703,
"volume_molar": 6.196347388217261,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6765412033333331,
"spacegroup": 5
},
{
"id": "jvasp-9547",
"created_at": "2022-09-04T14:37:27.394443Z",
"updated_at": "2022-09-04T14:37:27.394462Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.039295 0.263822 -0.271285\n-0.741973 7.409896 -1.083654\n-2.260007 -1.618437 7.667699\nMg Mn O\n4 4 8\ndirect\n0.562170 0.948350 0.800625 Mg\n0.429736 0.072867 0.168102 Mg\n0.185514 0.321335 0.923925 Mg\n0.806422 0.699872 0.044808 Mg\n0.680541 0.825301 0.418951 Mn\n-0.061308 0.573736 0.677094 Mn\n0.053262 0.447470 0.291634 Mn\n0.311357 0.195907 0.549772 Mn\n0.675913 0.315305 0.414290 O\n0.421090 0.573468 0.159482 O\n0.570865 0.447736 0.809247 O\n0.316004 0.705902 0.554440 O\n0.044675 0.947118 0.283075 O\n0.188569 0.828393 0.926982 O\n-0.052786 0.074089 0.685653 O\n-0.196642 0.192812 0.041741 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4881317961417775,
"density_atomic": 0.09718703042056796,
"volume": 164.63102052569636,
"volume_molar": 6.1964448691762035,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5130233228448275,
"spacegroup": 11
},
{
"id": "jvasp-103218",
"created_at": "2022-09-04T14:36:35.869879Z",
"updated_at": "2022-09-04T14:36:35.869909Z",
"structure_string": "Na1 Ca1 H6 Ir1\n1.0\n4.397936 0.000000 2.539149\n1.465979 4.146414 2.539149\n0.000000 0.000000 5.078299\nNa Ca H Ir\n1 1 6 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750000 Ca\n0.764830 0.235170 0.235170 H\n0.235171 0.764829 0.235171 H\n0.764831 0.764829 0.235171 H\n0.235171 0.764829 0.764830 H\n0.764830 0.235170 0.764829 H\n0.235171 0.235170 0.764829 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Ca",
"H",
"Ir"
],
"chemical_system": "Ca-H-Ir-Na",
"density": 4.686002703697868,
"density_atomic": 0.09718576878320949,
"volume": 92.60615121619436,
"volume_molar": 6.196525309619641,
"formula_full": "Na1 Ca1 H6 Ir1",
"formula_reduced": "NaCaH6Ir",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.4230222800000005,
"spacegroup": 216
}
]
}