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=-density&page=4097",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4095",
"results": [
{
"id": "jvasp-20880",
"created_at": "2022-09-04T14:38:33.274978Z",
"updated_at": "2022-09-04T14:38:33.275041Z",
"structure_string": "Na6 Al2 F12\n1.0\n0.000000 5.406042 -0.007703\n5.635027 0.000000 0.000000\n0.000000 -5.366661 -7.774794\nNa Al F\n6 2 12\ndirect\n0.729909 0.557438 0.746853 Na\n0.270089 0.057438 0.753146 Na\n0.270090 0.442563 0.253146 Na\n0.729909 0.942563 0.246854 Na\n0.500000 0.500000 -0.000000 Na\n0.499999 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.890065 0.548273 0.279460 F\n0.109934 0.048273 0.220540 F\n0.324976 0.174354 0.049249 F\n0.675023 0.674354 0.450750 F\n0.675023 0.825647 0.950750 F\n0.230429 0.729332 0.066738 F\n0.769570 0.270669 0.933262 F\n0.230428 0.770669 0.566737 F\n0.890064 0.951727 0.779459 F\n0.769570 0.229332 0.433262 F\n0.324976 0.325647 0.549249 F\n0.109934 0.451727 0.720539 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-Na",
"density": 2.9409365638491383,
"density_atomic": 0.08436042293000387,
"volume": 237.07799588196164,
"volume_molar": 7.138585311499368,
"formula_full": "Na6 Al2 F12",
"formula_reduced": "Na3AlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-21476",
"created_at": "2022-09-04T14:38:28.940451Z",
"updated_at": "2022-09-04T14:38:28.940484Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n4.474446 -0.000000 -0.000000\n-2.237222 3.612629 -1.401731\n-0.000000 -0.047962 7.015186\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004746 0.000000 0.000000 Rb\n0.809456 0.609068 0.413591 Be\n0.200387 0.390933 0.586409 Be\n0.504954 0.000000 0.500000 B\n0.813127 0.000000 0.500000 O\n0.196771 0.691780 0.499920 O\n0.504992 0.308221 0.500081 O\n0.730319 0.451063 0.176699 F\n0.279256 0.548938 0.823302 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Rb",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9408838206241557,
"density_atomic": 0.07957823412775936,
"volume": 113.09625174078248,
"volume_molar": 7.567572749015412,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230173164814813,
"spacegroup": 155
},
{
"id": "jvasp-44701",
"created_at": "2022-09-04T14:38:08.865340Z",
"updated_at": "2022-09-04T14:38:08.865368Z",
"structure_string": "Li12 Mn4 O12\n1.0\n8.961145 -0.000000 0.000000\n0.000000 8.961145 0.000000\n0.000000 0.000000 3.481018\nLi Mn O\n12 4 12\ndirect\n0.355767 0.094702 0.500000 Li\n0.594702 0.144233 0.000000 Li\n0.172378 0.172378 0.000000 Li\n0.672379 0.327622 0.500000 Li\n0.094702 0.355767 0.500000 Li\n0.855767 0.405298 0.000000 Li\n0.144233 0.594702 0.000000 Li\n0.905299 0.644233 0.500000 Li\n0.327622 0.672379 0.500000 Li\n0.827622 0.827622 0.000000 Li\n0.405298 0.855767 0.000000 Li\n0.644233 0.905299 0.500000 Li\n0.115494 0.884506 0.500000 Mn\n0.615495 0.615495 0.000000 Mn\n0.384506 0.384506 0.000000 Mn\n0.884506 0.115494 0.500000 Mn\n0.102159 0.102159 0.500000 O\n0.678193 0.112524 0.500000 O\n0.387477 0.178192 0.000000 O\n0.887477 0.321808 0.500000 O\n0.178192 0.387477 0.000000 O\n0.602160 0.397841 0.000000 O\n0.397841 0.602160 0.000000 O\n0.821808 0.612524 0.000000 O\n0.112524 0.678193 0.500000 O\n0.612524 0.821808 0.000000 O\n0.321808 0.887477 0.500000 O\n0.897841 0.897841 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.9407185541775323,
"density_atomic": 0.10016701986542134,
"volume": 279.53312415223286,
"volume_molar": 6.012099359740364,
"formula_full": "Li12 Mn4 O12",
"formula_reduced": "Li3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.9201739630541872,
"spacegroup": 136
},
{
"id": "jvasp-120116",
"created_at": "2022-09-04T14:38:52.946085Z",
"updated_at": "2022-09-04T14:38:52.946120Z",
"structure_string": "Na2 Al2 As2\n1.0\n4.564088 0.000000 0.000000\n0.000000 4.564088 0.000000\n0.000000 0.000000 6.771046\nNa Al As\n2 2 2\ndirect\n0.000000 0.500000 0.641673 Na\n0.500000 0.000000 0.358328 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.199734 As\n0.500000 0.000000 0.800267 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Al",
"As"
],
"chemical_system": "Al-As-Na",
"density": 2.940716019686682,
"density_atomic": 0.04253901869802503,
"volume": 141.0469771903451,
"volume_molar": 14.156745840212793,
"formula_full": "Na2 Al2 As2",
"formula_reduced": "NaAlAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8748478500000001,
"spacegroup": 129
},
{
"id": "jvasp-97887",
"created_at": "2022-09-04T14:35:46.575157Z",
"updated_at": "2022-09-04T14:35:46.575179Z",
"structure_string": "K4 V5 Cu1 Cl1 O15\n1.0\n5.296948 0.000000 -0.000000\n-0.000000 8.942242 0.000000\n0.000000 -0.000000 8.942242\nK V Cu Cl O\n4 5 1 1 15\ndirect\n0.419628 0.681251 0.155748 K\n0.419628 0.844252 0.681251 K\n0.419628 0.155748 0.318749 K\n0.419628 0.318749 0.844252 K\n0.863574 0.500000 0.500000 V\n0.895222 0.138653 0.629135 V\n0.895222 0.370864 0.138653 V\n0.895222 0.629135 0.861347 V\n0.895222 0.861347 0.370864 V\n0.830419 0.000000 0.000000 Cu\n0.297179 0.000000 0.000000 Cl\n0.790970 0.197136 0.096289 O\n0.168774 0.500000 0.500000 O\n0.767001 0.314832 0.581751 O\n0.208409 0.620735 0.860473 O\n0.767001 0.581751 0.685168 O\n0.790970 0.903711 0.197136 O\n0.771677 0.500000 -0.000000 O\n0.767001 0.418249 0.314832 O\n0.208409 0.139527 0.620735 O\n0.767001 0.685168 0.418249 O\n0.771677 0.000000 0.500000 O\n0.208409 0.860473 0.379265 O\n0.790970 0.802864 0.903711 O\n0.208409 0.379265 0.139527 O\n0.790970 0.096289 0.802864 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"K",
"V",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-K-O-V",
"density": 2.9406567301224196,
"density_atomic": 0.06138394567559879,
"volume": 423.5635183408463,
"volume_molar": 9.810612031728532,
"formula_full": "K4 V5 Cu1 Cl1 O15",
"formula_reduced": "K4V5CuClO15",
"formula_anonymous": "ABC4D5E15",
"energy_above_hull": 2.564155385288461,
"spacegroup": 75
},
{
"id": "jvasp-48583",
"created_at": "2022-09-04T14:36:51.958494Z",
"updated_at": "2022-09-04T14:36:51.958517Z",
"structure_string": "V1 O2 F1\n1.0\n3.117558 0.021273 0.523357\n0.029623 4.182853 -0.263963\n-0.817326 -2.153720 4.415393\nV O F\n1 2 1\ndirect\n0.932568 0.047035 0.981169 V\n0.930877 0.416262 0.956169 O\n0.436794 0.042911 0.150715 O\n0.926178 0.711599 0.588366 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.940644548723532,
"density_atomic": 0.06948872154637979,
"volume": 57.563298201280425,
"volume_molar": 8.66635710944914,
"formula_full": "V1 O2 F1",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6357628706250005,
"spacegroup": 6
},
{
"id": "jvasp-66321",
"created_at": "2022-09-04T14:36:20.522369Z",
"updated_at": "2022-09-04T14:36:20.522406Z",
"structure_string": "Ba1 Ca1 Ti1\n1.0\n0.000000 3.991805 3.991805\n3.991805 0.000000 3.991805\n3.991805 3.991805 -0.000000\nBa Ca Ti\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 Ti\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ti"
],
"chemical_system": "Ba-Ca-Ti",
"density": 2.9404809026416276,
"density_atomic": 0.023582145012144305,
"volume": 127.21489069187996,
"volume_molar": 25.536865950483833,
"formula_full": "Ba1 Ca1 Ti1",
"formula_reduced": "BaCaTi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3363949077777777,
"spacegroup": 216
},
{
"id": "jvasp-93196",
"created_at": "2022-09-04T14:35:55.924898Z",
"updated_at": "2022-09-04T14:35:55.924924Z",
"structure_string": "K1 Hf1 Mg6\n1.0\n6.415524 -1.720716 0.000000\n-4.697946 8.137082 0.000000\n0.000000 0.000000 4.651697\nK Hf Mg\n1 1 6\ndirect\n0.249962 0.374981 0.250000 K\n0.249994 0.874996 0.250000 Hf\n0.750010 0.375014 0.250000 Mg\n0.750009 0.874994 0.250000 Mg\n0.250006 0.100263 0.750000 Mg\n0.250005 0.649743 0.750000 Mg\n0.700727 0.100365 0.750000 Mg\n0.799277 0.649639 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Hf",
"Mg"
],
"chemical_system": "Hf-K-Mg",
"density": 2.940429687465324,
"density_atomic": 0.03898027474988109,
"volume": 205.2320064784665,
"volume_molar": 15.449200393381965,
"formula_full": "K1 Hf1 Mg6",
"formula_reduced": "KHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-36991",
"created_at": "2022-09-04T14:38:05.135069Z",
"updated_at": "2022-09-04T14:38:05.135094Z",
"structure_string": "K1 Ca1 Br3\n1.0\n5.663488 -0.023008 -0.014217\n-0.005135 5.639005 -0.004383\n-0.012470 0.006875 5.639065\nK Ca Br\n1 1 3\ndirect\n0.929543 0.012628 0.010208 K\n0.520170 0.500574 0.498650 Ca\n0.542891 0.502735 -0.001698 Br\n0.024317 0.493837 0.491973 Br\n0.543080 0.000223 0.500870 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Br"
],
"chemical_system": "Br-Ca-K",
"density": 2.940341174935166,
"density_atomic": 0.027763872873358113,
"volume": 180.09014890706914,
"volume_molar": 21.690564524154613,
"formula_full": "K1 Ca1 Br3",
"formula_reduced": "KCaBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0167700000000001,
"spacegroup": 8
},
{
"id": "jvasp-13095",
"created_at": "2022-09-04T14:36:32.647024Z",
"updated_at": "2022-09-04T14:36:32.647051Z",
"structure_string": "Mg6 H4 O8\n1.0\n1.526590 -2.644130 0.000000\n1.526590 2.644130 -0.000000\n-0.000000 0.000000 19.437726\nMg H O\n6 4 8\ndirect\n0.333333 0.666667 0.752752 Mg\n0.666667 0.333333 0.627383 Mg\n0.333333 0.666667 0.372618 Mg\n0.666667 0.333333 0.247248 Mg\n0.000000 0.000000 0.121885 Mg\n0.000000 0.000000 0.878116 Mg\n0.666667 0.333333 0.477369 H\n0.333333 0.666667 0.522631 H\n0.666667 0.333333 0.017033 H\n0.333333 0.666667 0.982967 H\n0.000000 0.000000 0.690227 O\n0.666667 0.333333 0.067076 O\n0.000000 0.000000 0.309773 O\n0.333333 0.666667 0.572580 O\n0.666667 0.333333 0.427420 O\n0.333333 0.666667 0.932924 O\n0.666667 0.333333 0.815281 O\n0.333333 0.666667 0.184719 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.9402868995228526,
"density_atomic": 0.1147075058393119,
"volume": 156.92085594830485,
"volume_molar": 5.249997126113196,
"formula_full": "Mg6 H4 O8",
"formula_reduced": "Mg3(HO2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3472379055555552,
"spacegroup": 164
},
{
"id": "jvasp-99479",
"created_at": "2022-09-04T14:36:13.939960Z",
"updated_at": "2022-09-04T14:36:13.939981Z",
"structure_string": "K2 Cu1 Sb1 Cl6\n1.0\n6.274799 -0.000000 3.622757\n2.091600 5.915937 3.622757\n-0.000000 -0.000000 7.245513\nK Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740962 0.259038 0.259038 Cl\n0.259038 0.259038 0.740962 Cl\n0.259038 0.740962 0.740962 Cl\n0.259038 0.740962 0.259038 Cl\n0.740962 0.259038 0.740962 Cl\n0.740962 0.740962 0.259039 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cu-K-Sb",
"density": 2.940118103386089,
"density_atomic": 0.03717983866244763,
"volume": 268.9629745515867,
"volume_molar": 16.19732891977953,
"formula_full": "K2 Cu1 Sb1 Cl6",
"formula_reduced": "K2CuSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-46717",
"created_at": "2022-09-04T14:38:18.809071Z",
"updated_at": "2022-09-04T14:38:18.809101Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 8.513021 0.082096\n4.970491 0.000000 0.000000\n0.000000 -5.624257 -8.243491\nLi Mn P O\n2 4 4 16\ndirect\n0.503079 0.569014 0.994655 Li\n0.503079 0.430986 0.494655 Li\n0.494885 0.091642 0.765448 Mn\n0.000557 0.447926 0.230131 Mn\n0.000556 0.552074 0.730131 Mn\n0.494885 0.908358 0.265448 Mn\n0.747409 0.429873 0.364269 P\n0.248515 0.055767 0.885893 P\n0.747409 0.570127 0.864269 P\n0.248515 0.944232 0.385893 P\n0.936533 0.512715 0.391869 O\n0.742327 0.517526 0.512351 O\n0.715144 0.125176 0.333167 O\n0.276404 0.005105 0.049945 O\n0.572651 0.581281 0.213000 O\n0.260206 0.360540 0.852791 O\n0.276403 -0.005105 0.549945 O\n0.572651 0.418719 0.713000 O\n0.742327 0.482473 0.012352 O\n0.057617 0.057874 0.243075 O\n0.422186 0.919007 0.895259 O\n0.936533 0.487285 0.891869 O\n0.260206 0.639460 0.352791 O\n0.715143 0.874824 0.833167 O\n0.057617 0.942126 0.743075 O\n0.422186 0.080993 0.395259 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.940019916859145,
"density_atomic": 0.07503192030701307,
"volume": 346.5191866823357,
"volume_molar": 8.02610507016055,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.091988729442971,
"spacegroup": 7
}
]
}