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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=530",
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"results": [
{
"id": "jvasp-112839",
"created_at": "2022-09-04T14:38:44.262483Z",
"updated_at": "2022-09-04T14:38:44.262499Z",
"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.015043 -0.010976 -2.755432\n-1.641579 4.749159 -2.896324\n-0.035400 -0.093582 5.798517\nLi Mn Ni O\n3 3 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Ni\n0.726654 0.750570 0.976135 O\n0.242506 0.748923 0.966123 O\n0.242496 0.276431 0.493617 O\n0.742166 0.261970 0.480262 O\n0.257833 0.738030 0.519739 O\n0.757503 0.723569 0.506385 O\n0.757493 0.251077 0.033878 O\n0.273345 0.249430 0.023866 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.554304214338812,
"density_atomic": 0.1104946226135333,
"volume": 135.75321264695475,
"volume_molar": 5.450166367881158,
"formula_full": "Li3 Mn3 Ni1 O8",
"formula_reduced": "Li3Mn3NiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.7816414749425293,
"spacegroup": 12
},
{
"id": "jvasp-116636",
"created_at": "2022-09-04T14:38:44.415541Z",
"updated_at": "2022-09-04T14:38:44.415567Z",
"structure_string": "Ti9 O10\n1.0\n5.064735 0.023325 0.539945\n-2.674692 4.300942 0.539945\n0.037034 0.067006 10.006371\nTi O\n9 10\ndirect\n0.841469 0.158529 0.500000 Ti\n0.574852 0.895840 0.255301 Ti\n0.351964 0.648035 -0.000000 Ti\n0.104159 0.425147 0.744698 Ti\n0.425146 0.104159 0.744698 Ti\n0.158530 0.841470 0.500000 Ti\n0.895840 0.574852 0.255301 Ti\n0.648035 0.351963 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.059201 0.712042 0.880688 O\n0.287958 0.940798 0.119311 O\n0.549641 0.191055 0.375568 O\n0.808943 0.450358 0.624431 O\n0.450358 0.808944 0.624431 O\n0.940797 0.287957 0.119311 O\n0.191055 0.549642 0.375568 O\n0.397371 0.397372 0.863865 O\n0.712041 0.059202 0.880688 O\n0.602628 0.602628 0.136134 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.4954717895344505,
"density_atomic": 0.08706457789431606,
"volume": 218.22881887813529,
"volume_molar": 6.916866658803558,
"formula_full": "Ti9 O10",
"formula_reduced": "Ti9O10",
"formula_anonymous": "A9B10",
"energy_above_hull": 3.748148947368421,
"spacegroup": 12
},
{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.53608525740139,
"density_atomic": 0.12235475853602067,
"volume": 228.842754748741,
"volume_molar": 4.921868860725272,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.55362596724138,
"spacegroup": 12
},
{
"id": "jvasp-112852",
"created_at": "2022-09-04T14:38:44.443460Z",
"updated_at": "2022-09-04T14:38:44.443480Z",
"structure_string": "Li3 Mn2 Fe1 O6\n1.0\n6.223850 0.076882 1.576100\n5.542907 2.831677 1.576100\n0.049337 0.012195 5.766162\nLi Mn Fe O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.664627 0.664629 0.665785 Li\n0.335372 0.335373 0.334214 Li\n0.665241 0.665242 0.169495 Mn\n0.334758 0.334760 0.830504 Mn\n-0.000001 0.000001 0.500000 Fe\n0.162400 0.162401 0.404256 O\n0.828310 0.828310 0.070884 O\n0.837599 0.837601 0.595743 O\n0.494545 0.494547 0.737131 O\n0.505454 0.505455 0.262868 O\n0.171689 0.171692 0.929115 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.742060524700519,
"density_atomic": 0.12128819900632917,
"volume": 98.93790243660725,
"volume_molar": 4.965149791436632,
"formula_full": "Li3 Mn2 Fe1 O6",
"formula_reduced": "Li3Mn2FeO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.730075915229885,
"spacegroup": 12
},
{
"id": "jvasp-116735",
"created_at": "2022-09-04T14:38:44.476107Z",
"updated_at": "2022-09-04T14:38:44.476124Z",
"structure_string": "Mg1 Fe10 N8\n1.0\n7.888837 0.007080 3.501029\n0.635170 3.108389 -0.000000\n-0.021341 0.004361 7.663887\nMg Fe N\n1 10 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.304093 0.847954 0.201210 Fe\n0.194727 0.402637 0.895079 Fe\n0.805274 0.597363 0.104921 Fe\n0.343621 0.328189 0.529822 Fe\n0.695907 0.152046 0.798791 Fe\n0.007119 0.996441 0.174432 Fe\n0.992882 0.003559 0.825568 Fe\n0.543496 0.228251 0.187376 Fe\n0.456504 0.771749 0.812624 Fe\n0.656380 0.671811 0.470178 Fe\n0.099011 0.450494 0.718029 N\n0.233332 0.883334 0.006694 N\n0.766669 0.116666 0.993306 N\n0.407372 0.796314 0.611219 N\n0.592628 0.203686 0.388782 N\n0.700947 0.649527 0.691196 N\n0.299053 0.350473 0.308804 N\n0.900990 0.549506 0.281972 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 6.1325011923908015,
"density_atomic": 0.10098967149801358,
"volume": 188.13805132907797,
"volume_molar": 5.963125407451645,
"formula_full": "Mg1 Fe10 N8",
"formula_reduced": "Mg(Fe5N4)2",
"formula_anonymous": "AB8C10",
"energy_above_hull": 4.951596844736842,
"spacegroup": 12
},
{
"id": "jvasp-115236",
"created_at": "2022-09-04T14:38:44.485111Z",
"updated_at": "2022-09-04T14:38:44.485128Z",
"structure_string": "Mg1 O2\n1.0\n3.657324 -0.403643 -0.607463\n-0.905549 -2.864761 -0.034313\n-1.393719 4.853321 -2.078775\nMg O\n1 2\ndirect\n0.078824 0.195691 0.120916 Mg\n0.602495 0.356980 -0.061741 O\n0.555164 0.034457 0.303635 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.312498819345955,
"density_atomic": 0.10628945558379117,
"volume": 28.224812927327584,
"volume_molar": 5.66579321243448,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2580045,
"spacegroup": 12
},
{
"id": "jvasp-116665",
"created_at": "2022-09-04T14:38:44.526703Z",
"updated_at": "2022-09-04T14:38:44.526723Z",
"structure_string": "Nb6 V2 C3 S6\n1.0\n5.703969 -0.004084 0.618592\n-2.958661 4.876638 0.618592\n-0.004375 -0.007766 8.863675\nNb V C S\n6 2 3 6\ndirect\n0.043171 0.710726 0.868838 Nb\n0.710725 0.043172 0.868838 Nb\n0.377696 0.377697 0.866857 Nb\n0.289275 0.956829 0.131162 Nb\n0.956829 0.289275 0.131161 Nb\n0.622304 0.622304 0.133142 Nb\n0.169727 0.830273 0.500000 V\n0.830272 0.169728 0.500000 V\n0.666304 0.333697 -0.000000 C\n0.333697 0.666304 -0.000000 C\n0.000000 0.000000 0.000000 C\n0.772248 0.772248 0.664551 S\n0.227752 0.227752 0.335448 S\n0.879987 0.554591 0.336627 S\n0.554591 0.879987 0.336627 S\n0.120013 0.445409 0.663372 S\n0.445409 0.120013 0.663372 S\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Nb",
"V",
"C",
"S"
],
"chemical_system": "C-Nb-S-V",
"density": 5.980219645238507,
"density_atomic": 0.06896512327249515,
"volume": 246.50140815132832,
"volume_molar": 8.732153984855945,
"formula_full": "Nb6 V2 C3 S6",
"formula_reduced": "Nb6V2(CS2)3",
"formula_anonymous": "A2B3C6D6",
"energy_above_hull": 5.186610282352941,
"spacegroup": 12
},
{
"id": "jvasp-116659",
"created_at": "2022-09-04T14:38:44.679609Z",
"updated_at": "2022-09-04T14:38:44.679638Z",
"structure_string": "Sm2 Ga2 Fe12 Co3 C1\n1.0\n6.395578 0.009216 0.807797\n0.704088 6.356710 0.807797\n-0.008816 -0.007905 6.434403\nSm Ga Fe Co C\n2 2 12 3 1\ndirect\n0.656411 0.656411 0.639834 Sm\n0.343589 0.343589 0.360167 Sm\n0.894882 0.894882 0.897453 Ga\n0.105118 0.105118 0.102548 Ga\n0.714656 0.285345 0.000000 Fe\n0.000983 0.707551 0.290056 Fe\n0.292448 0.999016 0.709944 Fe\n0.999017 0.292448 0.709944 Fe\n0.707552 0.000983 0.290056 Fe\n0.285345 0.714656 0.000000 Fe\n0.154290 0.660278 0.657224 Fe\n0.660278 0.154290 0.657224 Fe\n0.654866 0.654866 0.152238 Fe\n0.845710 0.339722 0.342776 Fe\n0.339722 0.845710 0.342776 Fe\n0.345134 0.345134 0.847762 Fe\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 C\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sm",
"Ga",
"Fe",
"Co",
"C"
],
"chemical_system": "C-Co-Fe-Ga-Sm",
"density": 8.245378624675478,
"density_atomic": 0.07644401242256861,
"volume": 261.62938556186236,
"volume_molar": 7.877844934029234,
"formula_full": "Sm2 Ga2 Fe12 Co3 C1",
"formula_reduced": "Sm2Ga2Fe12Co3C",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 3.742527555,
"spacegroup": 12
},
{
"id": "jvasp-112992",
"created_at": "2022-09-04T14:38:44.704981Z",
"updated_at": "2022-09-04T14:38:44.705010Z",
"structure_string": "La4 Co2 Sn5\n1.0\n6.077268 0.008228 4.411073\n4.318125 4.276336 4.411073\n0.020306 0.008369 11.075118\nLa Co Sn\n4 2 5\ndirect\n0.937795 0.937798 0.720670 La\n0.062204 0.062204 0.279329 La\n0.332691 0.332692 0.282504 La\n0.667308 0.667310 0.717495 La\n0.773420 0.773422 0.140219 Co\n0.226579 0.226579 0.859780 Co\n0.653779 0.653781 0.023463 Sn\n0.346220 0.346221 0.976536 Sn\n0.627275 0.627276 0.443251 Sn\n0.372725 0.372725 0.556749 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Co",
"Sn"
],
"chemical_system": "Co-La-Sn",
"density": 7.331294828385193,
"density_atomic": 0.038329622330459126,
"volume": 286.9843043368238,
"volume_molar": 15.711453423882103,
"formula_full": "La4 Co2 Sn5",
"formula_reduced": "La4Co2Sn5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.721274572727273,
"spacegroup": 12
},
{
"id": "jvasp-112924",
"created_at": "2022-09-04T14:38:44.807217Z",
"updated_at": "2022-09-04T14:38:44.807245Z",
"structure_string": "Li2 Fe2 F8\n1.0\n6.217067 -0.051073 1.982901\n5.018852 3.669558 1.982901\n-0.027257 -0.008778 6.548883\nLi Fe F\n2 2 8\ndirect\n0.804597 0.804599 0.807480 Li\n0.195402 0.195402 0.192519 Li\n0.889311 0.889313 0.212257 Fe\n0.110688 0.110688 0.787742 Fe\n0.946241 0.946243 0.867061 F\n0.854239 0.854241 0.505222 F\n0.254894 0.254894 0.843896 F\n0.380755 0.380755 0.187606 F\n0.619244 0.619245 0.812393 F\n0.745105 0.745107 0.156103 F\n0.145760 0.145760 0.494777 F\n0.053758 0.053758 0.132938 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.0461294078121344,
"density_atomic": 0.07930943041235876,
"volume": 151.30609232228258,
"volume_molar": 7.593221548419508,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2301177716666665,
"spacegroup": 12
},
{
"id": "jvasp-107395",
"created_at": "2022-09-04T14:38:44.952550Z",
"updated_at": "2022-09-04T14:38:44.952578Z",
"structure_string": "Mg2 Si4\n1.0\n4.629184 0.031471 2.936454\n3.152297 3.390186 2.936454\n-0.038647 -0.016994 6.957479\nMg Si\n2 4\ndirect\n0.576607 0.576609 0.635834 Mg\n0.423391 0.423393 0.364165 Mg\n0.196520 0.196521 0.263131 Si\n0.803478 0.803481 0.736868 Si\n0.128961 0.128964 0.957485 Si\n0.871036 0.871038 0.042514 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4530293292065384,
"density_atomic": 0.055069168127125645,
"volume": 108.95388842898747,
"volume_molar": 10.935594207811631,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7959219904761898,
"spacegroup": 12
},
{
"id": "jvasp-115198",
"created_at": "2022-09-04T14:38:45.279097Z",
"updated_at": "2022-09-04T14:38:45.279128Z",
"structure_string": "Li2 I1\n1.0\n3.826644 0.376679 0.558687\n-1.303579 -3.614518 -0.581007\n-0.008091 -2.564993 -6.720297\nLi I\n2 1\ndirect\n0.799598 0.634758 0.601260 Li\n0.435711 0.433784 0.166046 Li\n0.117583 0.034197 0.883737 I\n",
"nsites": 3,
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"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 2.7246469497936348,
"density_atomic": 0.034964029125736824,
"volume": 85.80246827994193,
"volume_molar": 17.223818051241512,
"formula_full": "Li2 I1",
"formula_reduced": "Li2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4565733333333333,
"spacegroup": 12
}
]
}