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=nelements&page=1580",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1578",
"results": [
{
"id": "jvasp-56993",
"created_at": "2022-09-04T14:37:09.740912Z",
"updated_at": "2022-09-04T14:37:09.740935Z",
"structure_string": "Pr4 C2 Br2\n1.0\n1.919501 -3.324674 0.000000\n1.919501 3.324674 -0.000000\n0.000000 -0.000000 14.989844\nPr C Br\n4 2 2\ndirect\n0.333333 0.666667 0.907036 Pr\n0.666667 0.333333 0.407037 Pr\n0.666667 0.333333 0.092963 Pr\n0.333333 0.666667 0.592963 Pr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.750000 Br\n0.333333 0.666667 0.250000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"C",
"Br"
],
"chemical_system": "Br-C-Pr",
"density": 6.487427767960611,
"density_atomic": 0.04181436138655453,
"volume": 191.3218266337654,
"volume_molar": 14.402087130610653,
"formula_full": "Pr4 C2 Br2",
"formula_reduced": "Pr2CBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0831409512500003,
"spacegroup": 194
},
{
"id": "jvasp-9934",
"created_at": "2022-09-04T14:37:07.705206Z",
"updated_at": "2022-09-04T14:37:07.705226Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n5.006875 -0.000000 2.890721\n1.668958 4.720527 2.890721\n0.000000 0.000000 5.781442\nMg Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875001 0.875001 0.874999 Mg\n0.500001 0.500000 -0.000001 Fe\n0.500001 0.500000 0.499999 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.737156 0.737155 0.737154 O\n0.262845 0.262845 0.711465 O\n0.262845 0.711466 0.262845 O\n0.711466 0.262845 0.262844 O\n0.737156 0.288535 0.737154 O\n0.288535 0.737155 0.737154 O\n0.262845 0.262845 0.262845 O\n0.737156 0.737155 0.288533 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.8607088858367815,
"density_atomic": 0.10245534674685625,
"volume": 136.64489403945703,
"volume_molar": 5.877819900292109,
"formula_full": "Mg2 Fe4 O8",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.289677721428571,
"spacegroup": 227
},
{
"id": "jvasp-8166",
"created_at": "2022-09-04T14:37:07.708959Z",
"updated_at": "2022-09-04T14:37:07.708994Z",
"structure_string": "Ga2 Ge2 Te2\n1.0\n4.049355 -0.001827 11.278351\n1.961818 3.542393 11.278351\n-0.003102 -0.001827 11.983258\nGa Ge Te\n2 2 2\ndirect\n0.251969 0.251967 0.251968 Ga\n0.748035 0.748031 0.748032 Ga\n0.321897 0.321896 0.321896 Ge\n0.678106 0.678102 0.678103 Ge\n0.117560 0.117559 0.117559 Te\n0.882443 0.882438 0.882440 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Ge",
"Te"
],
"chemical_system": "Ga-Ge-Te",
"density": 5.209495672949815,
"density_atomic": 0.03486290666716141,
"volume": 172.1026894654085,
"volume_molar": 17.27377701892099,
"formula_full": "Ga2 Ge2 Te2",
"formula_reduced": "GaGeTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2991286805555556,
"spacegroup": 166
},
{
"id": "jvasp-79821",
"created_at": "2022-09-04T14:37:07.709712Z",
"updated_at": "2022-09-04T14:37:07.709731Z",
"structure_string": "Fe1 Cu1 O2\n1.0\n-1.416758 -2.453897 0.000000\n1.416758 -2.453897 0.000000\n-0.000000 -1.635932 5.789051\nFe Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.107532 0.107532 0.677404 O\n0.892468 0.892468 0.322596 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 6.24534361682358,
"density_atomic": 0.09937350698151774,
"volume": 40.25217707918823,
"volume_molar": 6.060106906682929,
"formula_full": "Fe1 Cu1 O2",
"formula_reduced": "FeCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6774582375000002,
"spacegroup": 166
},
{
"id": "jvasp-11508",
"created_at": "2022-09-04T14:37:07.715536Z",
"updated_at": "2022-09-04T14:37:07.715563Z",
"structure_string": "Ti2 Bi4 O12\n1.0\n5.358142 -0.000000 0.000000\n0.000000 5.358142 -0.000000\n-0.000000 -0.000000 9.402891\nTi Bi O\n2 4 12\ndirect\n0.500000 0.500000 0.296801 Ti\n0.000000 0.000000 0.796806 Ti\n0.000000 0.500000 0.998754 Bi\n0.000000 0.500000 0.498749 Bi\n0.500000 0.000000 0.998754 Bi\n0.500000 0.000000 0.498749 Bi\n0.741272 0.741272 0.366379 O\n0.241271 0.758729 0.866391 O\n0.258727 0.741272 0.366379 O\n0.000000 0.000000 0.078027 O\n0.241271 0.241271 0.866391 O\n0.758729 0.241271 0.866391 O\n0.758729 0.758729 0.866391 O\n0.000000 0.000000 0.606375 O\n0.500000 0.500000 0.106372 O\n0.500000 0.500000 0.578020 O\n0.741272 0.258727 0.366379 O\n0.258727 0.258727 0.366379 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 6.911776646603542,
"density_atomic": 0.06667801546056651,
"volume": 269.95404520767767,
"volume_molar": 9.031673660955768,
"formula_full": "Ti2 Bi4 O12",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4713275481481487,
"spacegroup": 107
},
{
"id": "jvasp-8349",
"created_at": "2022-09-04T14:37:07.747488Z",
"updated_at": "2022-09-04T14:37:07.747499Z",
"structure_string": "Zn1 Co1 F6\n1.0\n4.354231 0.081312 2.891265\n1.592691 4.053303 2.891265\n0.116953 0.081312 5.225424\nZn Co F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zn\n0.000000 0.000000 0.000000 Co\n0.382788 0.083150 0.770895 F\n0.083150 0.770894 0.382790 F\n0.229105 0.617210 0.916851 F\n0.916850 0.229104 0.617212 F\n0.617211 0.916849 0.229107 F\n0.770895 0.382788 0.083151 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Co",
"F"
],
"chemical_system": "Co-F-Zn",
"density": 4.4192122601055965,
"density_atomic": 0.08933101624283048,
"volume": 89.55456163459982,
"volume_molar": 6.741377198295697,
"formula_full": "Zn1 Co1 F6",
"formula_reduced": "ZnCoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00152,
"spacegroup": 148
},
{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 6.06121962137283,
"density_atomic": 0.04662416305782061,
"volume": 300.27348657471885,
"volume_molar": 12.916351447492337,
"formula_full": "Tl1 Cr5 Se8",
"formula_reduced": "TlCr5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.0026376095238105,
"spacegroup": 12
},
{
"id": "jvasp-49827",
"created_at": "2022-09-04T14:37:07.763136Z",
"updated_at": "2022-09-04T14:37:07.763156Z",
"structure_string": "Ca2 Cu4 O4\n1.0\n-2.640144 2.640144 4.787714\n2.640144 -2.640144 4.787714\n2.640144 2.640144 -4.787714\nCa Cu O\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.250000 0.499999 Ca\n0.874999 0.625000 0.250000 Cu\n0.375000 0.624999 0.250000 Cu\n0.374999 0.125000 0.749999 Cu\n0.374999 0.624999 0.749999 Cu\n0.237990 0.237990 0.000000 O\n0.512009 0.012010 0.499999 O\n0.762009 0.762009 0.000000 O\n0.987989 0.487990 0.499999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.955151977661394,
"density_atomic": 0.07491289475806846,
"volume": 133.48836715354608,
"volume_molar": 8.03885736821215,
"formula_full": "Ca2 Cu4 O4",
"formula_reduced": "Ca(CuO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4372156639999995,
"spacegroup": 141
},
{
"id": "jvasp-28436",
"created_at": "2022-09-04T14:37:07.774452Z",
"updated_at": "2022-09-04T14:37:07.774472Z",
"structure_string": "Cu2 W1 Se4\n1.0\n5.588831 -0.000000 0.000000\n-0.000000 5.588831 0.000000\n-2.794416 -2.794416 5.427381\nCu W Se\n2 1 4\ndirect\n-0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.000000 0.000000 0.000000 W\n0.373241 0.373241 0.263857 Se\n0.890616 0.890616 0.263857 Se\n0.109383 0.626758 0.736143 Se\n0.626758 0.109383 0.736143 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"W",
"Se"
],
"chemical_system": "Cu-Se-W",
"density": 6.139406927181724,
"density_atomic": 0.041291986396694486,
"volume": 169.52441892115817,
"volume_molar": 14.584284471434598,
"formula_full": "Cu2 W1 Se4",
"formula_reduced": "Cu2WSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.021684909523809,
"spacegroup": 121
},
{
"id": "jvasp-2922",
"created_at": "2022-09-04T14:37:07.786960Z",
"updated_at": "2022-09-04T14:37:07.786980Z",
"structure_string": "K3 Au1 O1\n1.0\n5.220799 0.000000 0.000000\n0.000000 5.220799 0.000000\n0.000000 0.000000 5.220799\nK Au O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Au",
"O"
],
"chemical_system": "Au-K-O",
"density": 3.853854348226429,
"density_atomic": 0.03513654740849416,
"volume": 142.30197241266978,
"volume_molar": 17.139250165894683,
"formula_full": "K3 Au1 O1",
"formula_reduced": "K3AuO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"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
},
{
"id": "jvasp-79639",
"created_at": "2022-09-04T14:37:07.803493Z",
"updated_at": "2022-09-04T14:37:07.803511Z",
"structure_string": "Ni1 H1 O2\n1.0\n2.114145 1.472325 -1.435029\n-0.000000 2.944647 0.000000\n3.870663 0.000000 2.715635\nNi H O\n1 1 2\ndirect\n0.995996 0.002000 0.997492 Ni\n0.018869 0.490566 0.463987 H\n0.181883 0.409058 0.221085 O\n0.803249 0.598375 0.784188 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 4.577943278530995,
"density_atomic": 0.12025725947261065,
"volume": 33.262025241071,
"volume_molar": 5.0077149491100625,
"formula_full": "Ni1 H1 O2",
"formula_reduced": "NiHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.87404985,
"spacegroup": 160
}
]
}