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=created_at&page=3451",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3449",
"results": [
{
"id": "jvasp-18265",
"created_at": "2022-09-04T14:38:09.169934Z",
"updated_at": "2022-09-04T14:38:09.169957Z",
"structure_string": "Mn1 In1 Cu2\n1.0\n3.797079 -0.000000 2.192245\n1.265693 3.579921 2.192245\n-0.000000 0.000000 4.384490\nMn In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"In",
"Cu"
],
"chemical_system": "Cu-In-Mn",
"density": 8.270678340446224,
"density_atomic": 0.06711472755572659,
"volume": 59.599437346724336,
"volume_molar": 8.972905022969373,
"formula_full": "Mn1 In1 Cu2",
"formula_reduced": "MnInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7566670278448274,
"spacegroup": 225
},
{
"id": "jvasp-47159",
"created_at": "2022-09-04T14:38:09.170105Z",
"updated_at": "2022-09-04T14:38:09.170131Z",
"structure_string": "Li1 V1 F6\n1.0\n-5.385803 0.000000 -0.000000\n-2.692902 1.554747 -4.397489\n0.000000 -3.109494 -4.397489\nLi V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000001 0.500000 V\n0.736716 0.526567 0.736716 F\n0.736716 0.000001 0.736716 F\n0.736716 0.000000 0.263283 F\n0.263282 0.473434 0.263283 F\n0.263283 0.000001 0.736716 F\n0.263283 0.000000 0.263283 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.583570654481274,
"density_atomic": 0.07241920936695552,
"volume": 110.46792791486004,
"volume_molar": 8.315667642110256,
"formula_full": "Li1 V1 F6",
"formula_reduced": "LiVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.241879486875,
"spacegroup": 225
},
{
"id": "jvasp-41412",
"created_at": "2022-09-04T14:38:09.174024Z",
"updated_at": "2022-09-04T14:38:09.174044Z",
"structure_string": "Lu1 Mg1 Hg2\n1.0\n0.000000 3.524997 3.524997\n3.524997 -0.000000 3.524997\n3.524997 3.524997 -0.000000\nLu Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"Hg"
],
"chemical_system": "Hg-Lu-Mg",
"density": 11.382067121709454,
"density_atomic": 0.04566187496778418,
"volume": 87.60043258894034,
"volume_molar": 13.188553392187249,
"formula_full": "Lu1 Mg1 Hg2",
"formula_reduced": "LuMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-17881",
"created_at": "2022-09-04T14:38:09.180995Z",
"updated_at": "2022-09-04T14:38:09.181022Z",
"structure_string": "U1 Fe2 Si2\n1.0\n3.694717 0.000000 -1.411282\n-0.539072 3.655180 -1.411282\n-0.052959 -0.061342 5.403356\nU Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750001 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.630340 0.630339 0.260679 Si\n0.369661 0.369661 0.739323 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-U",
"density": 9.318111207146783,
"density_atomic": 0.06912585893815837,
"volume": 72.33183177475044,
"volume_molar": 8.711849447523756,
"formula_full": "U1 Fe2 Si2",
"formula_reduced": "U(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.967888839999999,
"spacegroup": 139
},
{
"id": "jvasp-20889",
"created_at": "2022-09-04T14:38:09.181512Z",
"updated_at": "2022-09-04T14:38:09.181529Z",
"structure_string": "Y8 Si4 O20\n1.0\n6.335216 0.000000 2.375359\n2.692429 7.134406 2.455008\n0.004677 0.023024 9.623396\nY Si O\n8 4 20\ndirect\n0.765792 0.553036 0.164958 Y\n0.234209 0.446964 0.835043 Y\n0.516217 0.053036 0.664958 Y\n0.218593 0.608329 0.464786 Y\n0.291707 0.891672 0.035215 Y\n0.781409 0.391671 0.535215 Y\n0.708294 0.108328 0.964786 Y\n0.483784 0.946964 0.335043 Y\n0.272653 0.444543 0.192084 Si\n0.909280 0.055457 0.307916 Si\n0.727348 0.555457 0.807917 Si\n0.090721 0.944543 0.692084 Si\n0.088309 0.962792 0.858550 O\n0.909650 0.537208 0.641451 O\n0.911693 0.037208 0.141451 O\n0.090351 0.462792 0.358550 O\n0.385316 0.138335 0.898105 O\n0.169700 0.917461 0.319866 O\n0.407026 0.582540 0.180134 O\n0.443620 0.231149 0.174858 O\n0.849628 0.268851 0.325142 O\n0.556381 0.768851 0.825142 O\n0.150374 0.731149 0.674858 O\n0.133012 0.538179 0.060906 O\n0.732095 0.961822 0.439094 O\n0.866990 0.461821 0.939094 O\n0.267906 0.038178 0.560906 O\n0.578246 0.638336 0.398105 O\n0.614686 0.861665 0.101895 O\n0.421755 0.361664 0.601895 O\n0.592975 0.417460 0.819866 O\n0.830301 0.082539 0.680134 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 4.368743893434091,
"density_atomic": 0.07361937578234864,
"volume": 434.6681788583228,
"volume_molar": 8.180102990555238,
"formula_full": "Y8 Si4 O20",
"formula_reduced": "Y2SiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.607648375,
"spacegroup": 15
},
{
"id": "jvasp-44749",
"created_at": "2022-09-04T14:38:09.182172Z",
"updated_at": "2022-09-04T14:38:09.182201Z",
"structure_string": "Li4 Ti1 V3 O10\n1.0\n6.644193 0.000000 0.000000\n0.000000 6.644193 0.000000\n0.000000 0.000000 4.519162\nLi Ti V O\n4 1 3 10\ndirect\n0.751019 0.751019 0.000000 Li\n0.751019 0.248980 0.000000 Li\n0.248980 0.248980 0.000000 Li\n0.248980 0.751019 0.000000 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.606579 V\n0.500000 0.000000 0.393420 V\n0.000000 0.000000 0.500000 V\n0.500000 0.279045 0.258191 O\n0.500000 0.720955 0.258191 O\n0.279045 0.500000 0.741809 O\n0.217491 0.000000 0.264851 O\n0.782508 0.000000 0.264851 O\n0.000000 0.217491 0.735148 O\n0.000000 0.500000 0.235851 O\n0.500000 0.000000 0.764149 O\n0.000000 0.782508 0.735148 O\n0.720955 0.500000 0.741809 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.233264811124479,
"density_atomic": 0.09022567016977869,
"volume": 199.49976504612482,
"volume_molar": 6.674531481637175,
"formula_full": "Li4 Ti1 V3 O10",
"formula_reduced": "Li4TiV3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.913665885185185,
"spacegroup": 115
},
{
"id": "jvasp-11723",
"created_at": "2022-09-04T14:38:09.182770Z",
"updated_at": "2022-09-04T14:38:09.182797Z",
"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736583 -4.739902 0.000000\n2.736583 4.739902 -0.000000\n-0.000000 -0.000000 7.727790\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.242624 Fe\n0.666666 0.333332 0.242624 Fe\n0.333332 0.666666 0.757376 Fe\n0.666666 0.333332 0.757376 Fe\n0.328022 -0.000000 0.303633 O\n0.671977 0.671977 0.303633 O\n-0.000000 0.328022 0.303633 O\n0.671977 -0.000000 0.696367 O\n-0.000000 0.671977 0.696367 O\n0.328022 0.328022 0.696367 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Fe-O",
"density": 4.3798676529246015,
"density_atomic": 0.06983364985163393,
"volume": 200.47641831329022,
"volume_molar": 8.623551501023396,
"formula_full": "Ba1 Ca1 Fe4 O8",
"formula_reduced": "BaCa(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.7224954564285717,
"spacegroup": 162
},
{
"id": "jvasp-109835",
"created_at": "2022-09-04T14:38:09.183743Z",
"updated_at": "2022-09-04T14:38:09.183767Z",
"structure_string": "Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Sm",
"density": 2.8846638923325263,
"density_atomic": 0.03675776966006324,
"volume": 272.0513266305395,
"volume_molar": 16.383313829138455,
"formula_full": "Na2 Sm1 Cu1 Cl6",
"formula_reduced": "Na2SmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37169",
"created_at": "2022-09-04T14:38:09.185710Z",
"updated_at": "2022-09-04T14:38:09.185726Z",
"structure_string": "Zn1 N1\n1.0\n2.290634 2.290634 0.000000\n2.290634 0.000000 -2.290634\n0.000000 2.290634 -2.290634\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"N"
],
"chemical_system": "N-Zn",
"density": 5.486032322317988,
"density_atomic": 0.08320183256037716,
"volume": 24.037932079785115,
"volume_molar": 7.237990528189276,
"formula_full": "Zn1 N1",
"formula_reduced": "ZnN",
"formula_anonymous": "AB",
"energy_above_hull": 1.436461825,
"spacegroup": 216
},
{
"id": "jvasp-34684",
"created_at": "2022-09-04T14:38:09.189313Z",
"updated_at": "2022-09-04T14:38:09.189344Z",
"structure_string": "Al2 Tl2 F8\n1.0\n4.808421 0.000000 -1.791508\n-0.667475 4.761868 -1.791508\n0.004976 0.005722 7.362027\nAl Tl F\n2 2 8\ndirect\n0.499999 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Tl\n0.750000 0.250000 0.500000 Tl\n0.639966 0.639967 0.279934 F\n0.701676 0.798323 -0.000001 F\n0.860033 0.860033 0.720065 F\n0.360033 0.360033 0.720065 F\n0.798322 0.298323 -0.000000 F\n0.298323 0.201677 -0.000000 F\n0.201676 0.701677 -0.000000 F\n0.139967 0.139967 0.279935 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Tl",
"F"
],
"chemical_system": "Al-F-Tl",
"density": 6.051918860340844,
"density_atomic": 0.07114593483600458,
"volume": 168.66740211736175,
"volume_molar": 8.46449030978562,
"formula_full": "Al2 Tl2 F8",
"formula_reduced": "AlTlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0003516666666665,
"spacegroup": 140
},
{
"id": "jvasp-47182",
"created_at": "2022-09-04T14:38:09.191236Z",
"updated_at": "2022-09-04T14:38:09.191263Z",
"structure_string": "Li2 Cr2 O4\n1.0\n1.460648 -2.529916 0.000000\n1.460648 2.529916 -0.000000\n0.000000 -0.000000 9.747316\nLi Cr O\n2 2 4\ndirect\n0.333333 0.666668 0.761200 Li\n0.666668 0.333333 0.261199 Li\n0.333333 0.666668 0.500268 Cr\n0.666668 0.333333 0.000268 Cr\n0.000000 0.000000 0.387440 O\n0.333333 0.666668 0.110653 O\n0.666668 0.333333 0.610654 O\n0.000000 0.000000 0.887440 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.19225557608462,
"density_atomic": 0.11105120503475999,
"volume": 72.03884007828579,
"volume_molar": 5.422850439232081,
"formula_full": "Li2 Cr2 O4",
"formula_reduced": "LiCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0227386000000003,
"spacegroup": 186
},
{
"id": "jvasp-18242",
"created_at": "2022-09-04T14:38:09.194857Z",
"updated_at": "2022-09-04T14:38:09.194873Z",
"structure_string": "Tm3 Tl1 C1\n1.0\n5.498751 -0.000000 -0.000000\n-0.000000 5.498751 -0.000000\n0.000000 0.000000 5.498751\nTm Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"C"
],
"chemical_system": "C-Tl-Tm",
"density": 7.22292872451173,
"density_atomic": 0.030073075349845522,
"volume": 166.2616789880681,
"volume_molar": 20.025024677201607,
"formula_full": "Tm3 Tl1 C1",
"formula_reduced": "Tm3TlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3313710700000003,
"spacegroup": 221
}
]
}