HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=92",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=90",
"results": [
{
"id": "jvasp-112041",
"created_at": "2022-09-04T14:38:43.131440Z",
"updated_at": "2022-09-04T14:38:43.131448Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.840366 0.063376 0.877390\n1.724636 7.341967 3.441067\n-0.000282 -0.055220 10.711415\nSn H C O\n1 26 14 4\ndirect\n0.577517 0.365438 0.175939 Sn\n0.407091 0.604168 0.624161 H\n0.751078 0.477488 0.346762 H\n0.569005 0.299171 0.440676 H\n0.785779 0.240315 0.975137 H\n0.432784 0.204036 0.033391 H\n0.537348 0.698780 0.714841 H\n0.366273 0.527177 0.355096 H\n0.527939 0.985141 0.504750 H\n0.191159 0.936880 0.563066 H\n0.271059 0.797972 0.374668 H\n0.561288 0.905566 0.309169 H\n0.823468 0.287808 0.582279 H\n0.476900 0.426800 0.922053 H\n0.212460 0.397160 0.626649 H\n0.234623 0.070360 0.708777 H\n0.503267 0.040314 0.897083 H\n0.530776 0.820714 0.902718 H\n0.590885 0.798446 0.127522 H\n0.068739 0.084350 0.864447 H\n0.871752 0.913375 0.068637 H\n0.786725 0.967402 0.693322 H\n0.633783 0.304026 0.734538 H\n0.968842 0.721105 0.553844 H\n0.852260 0.620148 0.463575 H\n0.997772 0.439177 0.766108 H\n0.046284 0.807750 0.806139 H\n0.770630 0.823919 0.050348 C\n-0.010520 0.433664 0.665472 C\n0.653929 0.909312 0.907200 C\n0.883776 0.937455 0.788218 C\n0.025185 0.091353 0.764787 C\n0.845384 0.623616 0.566045 C\n0.849176 0.281698 0.684194 C\n0.983996 0.643541 0.070763 C\n0.400081 0.890184 0.515792 C\n0.538634 0.697175 0.612040 C\n0.151351 0.090005 0.302173 C\n0.566078 0.426807 0.351647 C\n0.567847 0.299691 0.004828 C\n0.356483 0.908503 0.370545 C\n0.915564 0.092596 0.265535 O\n0.910517 0.517402 0.054853 O\n0.234332 0.628017 0.098678 O\n0.214690 0.234808 0.290254 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.6462901814776498,
"density_atomic": 0.11831911656234972,
"volume": 380.3273833293599,
"volume_molar": 5.089744527315296,
"formula_full": "Sn1 H26 C14 O4",
"formula_reduced": "SnH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
"energy_above_hull": 4.660742348888888,
"spacegroup": 1
},
{
"id": "jvasp-79795",
"created_at": "2022-09-04T14:37:16.586298Z",
"updated_at": "2022-09-04T14:37:16.586323Z",
"structure_string": "Li1 Ni1 O2\n1.0\n-1.443034 -2.499408 0.000000\n1.443034 -2.499408 0.000000\n-0.000000 -1.666272 4.686682\nLi Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ni\n0.258615 0.258615 0.224156 O\n0.741385 0.741385 0.775843 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.795538913533929,
"density_atomic": 0.1183179916968363,
"volume": 33.80719992483574,
"volume_molar": 5.089792916220556,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.27332235,
"spacegroup": 166
},
{
"id": "jvasp-58405",
"created_at": "2022-09-04T14:37:36.215441Z",
"updated_at": "2022-09-04T14:37:36.215465Z",
"structure_string": "Li8 Ir1 O6\n1.0\n4.805754 0.000612 3.429258\n1.766112 4.469465 3.429258\n0.000901 0.000612 5.903819\nLi Ir O\n8 1 6\ndirect\n0.341315 0.341314 0.341316 Li\n0.516193 0.897866 0.233031 Li\n0.233030 0.516192 0.897868 Li\n0.897867 0.233029 0.516194 Li\n0.483807 0.102132 0.766971 Li\n0.766970 0.483806 0.102134 Li\n0.658684 0.658683 0.658686 Li\n0.102133 0.766969 0.483808 Li\n0.000000 0.000000 0.000000 Ir\n0.237627 0.909310 0.611918 O\n0.090688 0.388082 0.762374 O\n0.762373 0.090688 0.388084 O\n0.611917 0.237626 0.909313 O\n0.909311 0.611916 0.237628 O\n0.388083 0.762372 0.090690 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O",
"density": 4.5021693585365865,
"density_atomic": 0.1183129131892571,
"volume": 126.78244154131784,
"volume_molar": 5.090011392388583,
"formula_full": "Li8 Ir1 O6",
"formula_reduced": "Li8IrO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.9173908066666667,
"spacegroup": 148
},
{
"id": "jvasp-18433",
"created_at": "2022-09-04T14:35:42.868291Z",
"updated_at": "2022-09-04T14:35:42.868323Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.758949 -0.002251 4.138829\n1.251366 2.458839 4.138829\n-0.003675 -0.002251 4.974101\nLi Ni O\n1 1 2\ndirect\n1.000002 1.000000 0.999996 Li\n0.500005 0.500004 0.500001 Ni\n0.758629 0.758627 0.758624 O\n0.241374 0.241373 0.241372 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.795304393372146,
"density_atomic": 0.1183122054953155,
"volume": 33.80885330684143,
"volume_molar": 5.090041838699764,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.27328735,
"spacegroup": 166
},
{
"id": "jvasp-51372",
"created_at": "2022-09-04T14:37:01.359847Z",
"updated_at": "2022-09-04T14:37:01.359876Z",
"structure_string": "H8 N4 O6\n1.0\n5.631960 0.000000 0.000000\n0.000000 5.631960 -0.000000\n0.000000 -0.000000 4.796700\nH N O\n8 4 6\ndirect\n0.527958 0.647698 0.374278 H\n0.972042 0.147698 0.625722 H\n0.472042 0.352302 0.374278 H\n0.027958 0.852302 0.625722 H\n0.647698 0.472042 0.625722 H\n0.852302 0.972042 0.374278 H\n0.352302 0.527958 0.625722 H\n0.147698 0.027958 0.374278 H\n0.500000 0.000000 0.963240 N\n0.000000 0.500000 0.036760 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.638642 0.861358 0.095488 O\n0.000000 0.500000 0.298311 O\n0.500000 0.000000 0.701689 O\n0.361358 0.138642 0.095488 O\n0.138642 0.638642 0.904512 O\n0.861358 0.361358 0.904512 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.7472004120096256,
"density_atomic": 0.11830710428222013,
"volume": 152.14639990732275,
"volume_molar": 5.090261313161936,
"formula_full": "H8 N4 O6",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.603111888888888,
"spacegroup": 113
},
{
"id": "jvasp-62885",
"created_at": "2022-09-04T14:35:47.026230Z",
"updated_at": "2022-09-04T14:35:47.026258Z",
"structure_string": "B5 Mo2\n1.0\n7.257035 -1.540114 0.007946\n7.257035 1.540114 0.007946\n6.927288 0.000000 2.655042\nB Mo\n5 2\ndirect\n0.668684 0.668684 0.668686 B\n0.331315 0.331315 0.331316 B\n0.815370 0.815370 0.815372 B\n0.184629 0.184629 0.184630 B\n0.499999 0.499999 0.500001 B\n0.924140 0.924140 0.924143 Mo\n0.075858 0.075858 0.075859 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900783957000856,
"density_atomic": 0.1182842810109957,
"volume": 59.17946104224348,
"volume_molar": 5.091243492818951,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619640673809524,
"spacegroup": 166
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900759558648671,
"density_atomic": 0.11828386280611289,
"volume": 59.17967027737482,
"volume_molar": 5.091261493439135,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-119319",
"created_at": "2022-09-04T14:38:47.876151Z",
"updated_at": "2022-09-04T14:38:47.876175Z",
"structure_string": "Li4 Ni4 O8\n1.0\n5.008142 0.052710 2.861985\n1.654941 4.727096 2.861985\n0.021607 0.015500 5.753675\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 -0.000001 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.000000 -0.000000 0.499999 Ni\n0.766072 0.766073 0.731878 O\n0.780726 0.243169 0.747831 O\n0.745051 0.745052 0.283209 O\n0.756831 0.219274 0.252166 O\n0.243168 0.780726 0.747831 O\n0.254949 0.254949 0.716789 O\n0.219274 0.756832 0.252166 O\n0.233928 0.233928 0.268119 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.793986004018559,
"density_atomic": 0.11827967751808427,
"volume": 135.27260418471883,
"volume_molar": 5.091441646075886,
"formula_full": "Li4 Ni4 O8",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2664998499999998,
"spacegroup": 12
},
{
"id": "jvasp-112255",
"created_at": "2022-09-04T14:38:42.473249Z",
"updated_at": "2022-09-04T14:38:42.473266Z",
"structure_string": "H24 C24 O4\n1.0\n6.911908 0.000000 -0.489148\n0.000000 9.920359 0.000000\n-0.080727 0.000000 6.417969\nH C O\n24 24 4\ndirect\n0.482602 0.303152 0.971585 H\n0.252795 0.875674 0.348408 H\n0.747205 0.124326 0.651592 H\n0.747205 0.375674 0.151592 H\n0.252795 0.624326 0.848408 H\n0.181940 0.739464 0.510562 H\n0.818060 0.260536 0.489438 H\n0.181940 0.760536 0.010562 H\n0.008120 0.866092 0.418259 H\n0.991880 0.133908 0.581741 H\n0.991880 0.366092 0.081741 H\n0.008120 0.633908 0.918259 H\n0.818060 0.239464 0.989438 H\n0.891285 0.931640 0.060082 H\n0.891285 0.568360 0.560082 H\n0.108715 0.431640 0.439917 H\n0.161748 0.191759 0.276171 H\n0.838252 0.808241 0.723829 H\n0.838252 0.691759 0.223829 H\n0.161747 0.308241 0.776171 H\n0.482602 0.196848 0.471585 H\n0.517398 0.803152 0.528415 H\n0.517398 0.696848 0.028415 H\n0.108715 0.068360 0.939917 H\n0.593833 0.000163 0.055883 C\n0.406167 -0.000163 0.944117 C\n0.381911 0.573331 0.251448 C\n0.618088 0.426670 0.748552 C\n0.618089 0.073330 0.248552 C\n0.159586 0.846570 0.471267 C\n0.159586 0.653430 0.971267 C\n0.840414 0.346570 0.028733 C\n0.840414 0.153430 0.528733 C\n0.593833 0.499837 0.555883 C\n0.381911 0.926670 0.751448 C\n0.406167 0.500163 0.444117 C\n0.535245 0.641613 0.174930 C\n0.749377 0.930133 0.974189 C\n0.749377 0.569867 0.474189 C\n0.250623 0.430133 0.525811 C\n0.280897 0.138630 0.212217 C\n0.719103 0.861370 0.787783 C\n0.719103 0.638630 0.287783 C\n0.280896 0.361370 0.712217 C\n0.464755 0.141613 0.325070 C\n0.535245 0.858387 0.674930 C\n0.464754 0.358387 0.825070 C\n0.250623 0.069867 0.025811 C\n0.801906 0.070817 0.345289 O\n0.198094 0.570818 0.154711 O\n0.801906 0.429183 0.845289 O\n0.198094 0.929183 0.654711 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4217210428692029,
"density_atomic": 0.11826797222034739,
"volume": 439.6794755482725,
"volume_molar": 5.091945559682067,
"formula_full": "H24 C24 O4",
"formula_reduced": "H6C6O",
"formula_anonymous": "AB6C6",
"energy_above_hull": 5.096421038461538,
"spacegroup": 14
},
{
"id": "jvasp-48259",
"created_at": "2022-09-04T14:35:52.277713Z",
"updated_at": "2022-09-04T14:35:52.277733Z",
"structure_string": "Li7 Fe1 O6\n1.0\n5.459807 -0.013702 -0.009837\n-2.717887 4.734519 0.006697\n-2.725967 -1.570567 4.590598\nLi Fe O\n7 1 6\ndirect\n0.267996 0.502614 0.322652 Li\n0.162012 0.279438 0.675592 Li\n0.398598 0.882386 0.675817 Li\n0.692889 0.346495 0.036949 Li\n0.559715 0.056935 0.322560 Li\n0.822431 0.765253 0.322712 Li\n0.795624 0.515904 0.675667 Li\n0.999308 0.999550 0.996516 Fe\n0.563549 0.636490 0.762875 O\n0.886526 0.115051 0.235821 O\n0.123185 0.771352 0.235955 O\n0.838413 0.201614 0.762790 O\n0.128671 0.926772 0.762908 O\n0.466887 0.351670 0.235901 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.811383399420847,
"density_atomic": 0.11826051195582396,
"volume": 118.38271091900633,
"volume_molar": 5.0922667764617495,
"formula_full": "Li7 Fe1 O6",
"formula_reduced": "Li7FeO6",
"formula_anonymous": "AB6C7",
"energy_above_hull": 1.8725940357142856,
"spacegroup": 146
},
{
"id": "jvasp-103942",
"created_at": "2022-09-04T14:36:52.633671Z",
"updated_at": "2022-09-04T14:36:52.633690Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n5.223604 -0.027812 -0.473199\n-0.852255 6.163752 -0.015809\n0.142907 0.131275 8.399145\nMg H C O\n2 12 10 8\ndirect\n0.215720 0.250278 0.744693 Mg\n0.808943 0.802595 0.770821 Mg\n0.957303 0.745790 0.197960 H\n0.461739 0.239748 0.237600 H\n0.175739 -0.028560 0.272810 H\n0.685094 0.469502 0.297398 H\n0.994649 0.216011 0.413226 H\n0.447449 0.722756 0.422124 H\n0.762845 0.995112 0.362175 H\n0.317082 0.593275 0.078680 H\n0.797413 0.105909 0.077366 H\n0.541145 0.808190 0.154967 H\n0.015845 0.340039 0.129844 H\n0.246942 0.497065 0.345916 H\n0.668366 0.298313 0.261810 C\n0.338076 0.766959 0.108953 C\n0.809534 0.277952 0.110089 C\n0.159483 0.799698 0.239942 C\n0.244104 0.665716 0.383399 C\n0.103084 0.647474 0.535344 C\n0.317064 0.875332 0.947936 C\n0.695145 0.392556 0.967876 C\n0.675451 0.165923 0.557160 C\n0.784869 0.167847 0.395624 C\n0.834323 0.136635 0.678340 O\n0.438767 0.175830 0.568616 O\n0.897722 0.733442 0.547693 O\n0.844967 0.530744 0.893773 O\n0.501535 0.873568 0.861469 O\n0.454324 0.344111 0.931925 O\n0.117148 0.963852 0.897725 O\n0.204005 0.543270 0.648279 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 1.8942376568150345,
"density_atomic": 0.11820818129068482,
"volume": 270.708843081758,
"volume_molar": 5.094521118797183,
"formula_full": "Mg2 H12 C10 O8",
"formula_reduced": "MgH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.189678315625,
"spacegroup": 1
},
{
"id": "jvasp-13027",
"created_at": "2022-09-04T14:37:07.790692Z",
"updated_at": "2022-09-04T14:37:07.790722Z",
"structure_string": "Li4 Be4 N4\n1.0\n0.000000 4.516944 0.034140\n4.733558 0.000000 0.000000\n0.000000 -3.329326 -4.773435\nLi Be N\n4 4 4\ndirect\n0.675808 0.457012 0.911861 Li\n0.324189 0.957012 0.588137 Li\n0.324190 0.542989 0.088138 Li\n0.675808 0.042988 0.411862 Li\n0.916551 0.606344 0.606579 Be\n0.083446 0.106344 0.893420 Be\n0.083446 0.393656 0.393420 Be\n0.916552 0.893657 0.106579 Be\n0.846760 0.802774 0.800697 N\n0.153236 0.302774 0.699302 N\n0.153237 0.197226 0.199302 N\n0.846761 0.697227 0.300697 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Be",
"N"
],
"chemical_system": "Be-Li-N",
"density": 1.9601136650400277,
"density_atomic": 0.11819886741092414,
"volume": 101.52381543793828,
"volume_molar": 5.094922558829378,
"formula_full": "Li4 Be4 N4",
"formula_reduced": "LiBeN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9213197833333329,
"spacegroup": 14
}
]
}