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=497",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=495",
"results": [
{
"id": "jvasp-114028",
"created_at": "2022-09-04T14:38:46.638764Z",
"updated_at": "2022-09-04T14:38:46.638791Z",
"structure_string": "S1 F1\n1.0\n3.241649 -0.000000 -0.000000\n-0.000000 3.241649 -0.000000\n0.000000 0.000000 2.840659\nS F\n1 1\ndirect\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.840584894538574,
"density_atomic": 0.06700063454271554,
"volume": 29.85046356128047,
"volume_molar": 8.988184665864095,
"formula_full": "S1 F1",
"formula_reduced": "SF",
"formula_anonymous": "AB",
"energy_above_hull": 0.6970774999999999,
"spacegroup": 123
},
{
"id": "jvasp-57159",
"created_at": "2022-09-04T14:37:33.406568Z",
"updated_at": "2022-09-04T14:37:33.406589Z",
"structure_string": "K4 Al4 F16\n1.0\n0.000000 6.445126 -0.012406\n7.290311 0.000000 0.000000\n0.000000 -2.135504 -7.065242\nK Al F\n4 4 16\ndirect\n0.534994 0.250000 0.134575 K\n0.549936 0.250000 0.636553 K\n0.465008 0.750000 0.865425 K\n0.450065 0.750000 0.363447 K\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.714125 0.034724 0.422965 F\n0.002870 0.965918 0.250714 F\n0.997131 0.465918 0.749286 F\n0.997131 0.034082 0.749286 F\n0.285877 0.965276 0.577036 F\n0.285877 0.534724 0.577036 F\n0.054120 0.250000 0.045535 F\n0.002870 0.534082 0.250714 F\n0.715872 0.460175 0.934724 F\n0.945881 0.750000 0.954465 F\n0.284130 0.539825 0.065276 F\n0.714125 0.465276 0.422965 F\n0.715872 0.039825 0.934724 F\n0.047096 0.250000 0.479175 F\n0.284130 0.960175 0.065276 F\n0.952906 0.750000 0.520825 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.8409586404791844,
"density_atomic": 0.07225270870930471,
"volume": 332.1674775759553,
"volume_molar": 8.334830441068943,
"formula_full": "K4 Al4 F16",
"formula_reduced": "KAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-102871",
"created_at": "2022-09-04T14:36:34.813124Z",
"updated_at": "2022-09-04T14:36:34.813146Z",
"structure_string": "K2 Pr1 Ag1 Cl6\n1.0\n6.616996 -0.000000 3.820324\n2.205666 6.238563 3.820324\n0.000000 -0.000000 7.640648\nK Pr Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ag\n0.752217 0.247784 0.247783 Cl\n0.247784 0.247784 0.752216 Cl\n0.247785 0.752216 0.752215 Cl\n0.247785 0.752216 0.247783 Cl\n0.752217 0.247784 0.752215 Cl\n0.752217 0.752216 0.247783 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Pr",
"density": 2.8413072590788953,
"density_atomic": 0.0317047527198156,
"volume": 315.41012441803275,
"volume_molar": 18.994441663745064,
"formula_full": "K2 Pr1 Ag1 Cl6",
"formula_reduced": "K2PrAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-79184",
"created_at": "2022-09-04T14:37:16.502528Z",
"updated_at": "2022-09-04T14:37:16.502556Z",
"structure_string": "Mg3 Zn1\n1.0\n6.120458 -0.117960 0.000000\n-1.581192 2.738706 0.000000\n0.000000 0.000000 4.877056\nMg Zn\n3 1\ndirect\n0.671916 0.671917 0.250000 Mg\n0.323371 0.323371 0.750001 Mg\n0.836699 0.336699 0.750001 Mg\n0.168015 0.668015 0.250000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8413136276420388,
"density_atomic": 0.049480323341949926,
"volume": 80.84021546012734,
"volume_molar": 12.170778914240374,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.153940294117647,
"spacegroup": 25
},
{
"id": "jvasp-65125",
"created_at": "2022-09-04T14:36:15.234792Z",
"updated_at": "2022-09-04T14:36:15.234812Z",
"structure_string": "Mg4 Be1 Te1\n1.0\n0.000000 4.088057 4.088057\n4.088057 -0.000000 4.088057\n4.088057 4.088057 -0.000000\nMg Be Te\n4 1 1\ndirect\n0.123873 0.625376 0.625376 Mg\n0.625376 0.625376 0.625376 Mg\n0.625376 0.123873 0.625376 Mg\n0.625376 0.625376 0.123873 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Te"
],
"chemical_system": "Be-Mg-Te",
"density": 2.8416628942875355,
"density_atomic": 0.04391070673355576,
"volume": 136.64093444013986,
"volume_molar": 13.714515679607567,
"formula_full": "Mg4 Be1 Te1",
"formula_reduced": "Mg4BeTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-106957",
"created_at": "2022-09-04T14:36:52.683777Z",
"updated_at": "2022-09-04T14:36:52.683794Z",
"structure_string": "Li6 Pm2\n1.0\n6.613853 -0.000000 0.000000\n-3.306926 5.727765 0.000000\n-0.000000 -0.000000 5.115459\nLi Pm\n6 2\ndirect\n0.850966 0.149034 0.750000 Li\n0.298066 0.149034 0.750000 Li\n0.850966 0.701935 0.750000 Li\n0.149033 0.850967 0.250000 Li\n0.701934 0.850967 0.250000 Li\n0.149033 0.298066 0.250000 Li\n0.666666 0.333334 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Pm"
],
"chemical_system": "Li-Pm",
"density": 2.841839350331459,
"density_atomic": 0.041282467669544555,
"volume": 193.7868652629471,
"volume_molar": 14.58764725065777,
"formula_full": "Li6 Pm2",
"formula_reduced": "Li3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.96062279375,
"spacegroup": 194
},
{
"id": "jvasp-13821",
"created_at": "2022-09-04T14:37:26.667957Z",
"updated_at": "2022-09-04T14:37:26.667986Z",
"structure_string": "Na4 Mn2 O8\n1.0\n2.888390 -5.002839 -0.000000\n2.888390 5.002839 -0.000000\n-0.000000 0.000000 6.668507\nNa Mn O\n4 2 8\ndirect\n0.666667 0.333333 0.398785 Na\n0.333333 0.666667 0.898785 Na\n0.000000 0.000000 0.505260 Na\n0.000000 0.000000 0.005260 Na\n0.666667 0.333333 0.830356 Mn\n0.333333 0.666667 0.330356 Mn\n0.822966 0.177034 0.743884 O\n0.177034 0.354066 0.243884 O\n0.645934 0.822966 0.243884 O\n0.354066 0.177034 0.743884 O\n0.822966 0.645934 0.743884 O\n0.177034 0.822966 0.243884 O\n0.333333 0.666667 0.573943 O\n0.666667 0.333333 0.073943 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.841899849819812,
"density_atomic": 0.07264355161565743,
"volume": 192.7218547087457,
"volume_molar": 8.28998668988811,
"formula_full": "Na4 Mn2 O8",
"formula_reduced": "Na2MnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7863370344827585,
"spacegroup": 186
},
{
"id": "jvasp-35212",
"created_at": "2022-09-04T14:37:58.261115Z",
"updated_at": "2022-09-04T14:37:58.261141Z",
"structure_string": "K1 Li1 I1 Cl1\n1.0\n4.263189 0.000000 -0.000000\n0.000000 4.263189 0.000000\n0.000000 0.000000 6.699364\nK Li I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 4,
"elements": [
"K",
"Li",
"I",
"Cl"
],
"chemical_system": "Cl-I-K-Li",
"density": 2.8420867662836446,
"density_atomic": 0.03285165420674814,
"volume": 121.75946985276467,
"volume_molar": 18.331316657908133,
"formula_full": "K1 Li1 I1 Cl1",
"formula_reduced": "KLiICl",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-116858",
"created_at": "2022-09-04T14:38:43.552865Z",
"updated_at": "2022-09-04T14:38:43.552899Z",
"structure_string": "Li2 Fe2 Si6 O16\n1.0\n7.142568 0.041157 -2.539487\n4.041670 6.427862 0.813006\n-0.028988 -0.070483 7.010916\nLi Fe Si O\n2 2 6 16\ndirect\n0.261430 0.716595 0.157359 Li\n0.738569 0.283405 0.842642 Li\n0.463615 0.788625 0.629206 Fe\n0.536385 0.211376 0.370795 Fe\n0.768917 0.426609 0.290839 Si\n0.832964 0.793304 0.240458 Si\n0.141291 0.148295 0.195165 Si\n0.858709 0.851705 0.804835 Si\n0.231083 0.573391 0.709161 Si\n0.167036 0.206697 0.759542 Si\n0.246782 0.278736 0.294228 O\n0.936550 0.333678 0.542623 O\n0.713377 0.098771 0.672486 O\n0.912581 0.831400 0.057288 O\n0.535450 0.451946 0.263237 O\n0.725915 0.651168 0.187586 O\n0.753218 0.721264 0.705773 O\n0.063450 0.666322 0.457378 O\n0.464550 0.548054 0.736764 O\n0.087419 0.168600 0.942713 O\n0.286623 0.901229 0.327514 O\n0.655884 0.011702 0.250135 O\n0.344115 0.988299 0.749866 O\n0.117664 0.738932 0.830042 O\n0.274085 0.348832 0.812414 O\n0.882335 0.261069 0.169958 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.8422424582600296,
"density_atomic": 0.08090272501801386,
"volume": 321.37360013782995,
"volume_molar": 7.443680986838336,
"formula_full": "Li2 Fe2 Si6 O16",
"formula_reduced": "LiFeSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.9053161000000003,
"spacegroup": 2
},
{
"id": "jvasp-21368",
"created_at": "2022-09-04T14:37:59.226791Z",
"updated_at": "2022-09-04T14:37:59.226802Z",
"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"C",
"O"
],
"chemical_system": "C-Ca-Mg-O",
"density": 2.8422720069779297,
"density_atomic": 0.09282260223461024,
"volume": 107.73238154565932,
"volume_molar": 6.4877956607798675,
"formula_full": "Ca1 Mg1 C2 O6",
"formula_reduced": "CaMg(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.792422047,
"spacegroup": 148
},
{
"id": "jvasp-27525",
"created_at": "2022-09-04T14:37:05.673210Z",
"updated_at": "2022-09-04T14:37:05.673230Z",
"structure_string": "Ba2 Al8 S14\n1.0\n5.915731 0.000000 0.000000\n0.000000 6.246489 0.000000\n0.000000 0.000000 14.850372\nBa Al S\n2 8 14\ndirect\n0.487714 0.335627 0.500000 Ba\n0.987714 0.664373 0.000000 Ba\n0.088188 0.828337 0.380733 Al\n0.071873 0.313718 0.748279 Al\n0.571873 0.686282 0.751721 Al\n0.588188 0.171664 0.119267 Al\n0.588188 0.171664 0.880732 Al\n0.088188 0.828337 0.619267 Al\n0.071873 0.313718 0.251721 Al\n0.571873 0.686282 0.248279 Al\n0.463989 0.330810 0.251532 S\n0.963989 0.669190 0.248468 S\n0.980220 0.172518 0.615625 S\n0.480220 0.827482 0.884375 S\n0.480220 0.827482 0.115625 S\n0.980220 0.172518 0.384375 S\n0.472658 0.361698 0.000000 S\n0.468943 0.809358 0.617466 S\n0.468943 0.809358 0.382534 S\n0.968943 0.190642 0.117466 S\n0.463989 0.330810 0.748468 S\n0.972657 0.638303 0.500000 S\n0.968943 0.190642 0.882534 S\n0.963989 0.669190 0.751532 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Al",
"S"
],
"chemical_system": "Al-Ba-S",
"density": 2.842663564973911,
"density_atomic": 0.04373503836495174,
"volume": 548.7590933322023,
"volume_molar": 13.769602097402082,
"formula_full": "Ba2 Al8 S14",
"formula_reduced": "BaAl4S7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.886283930833334,
"spacegroup": 31
},
{
"id": "jvasp-46751",
"created_at": "2022-09-04T14:38:01.572186Z",
"updated_at": "2022-09-04T14:38:01.572208Z",
"structure_string": "Li6 Cr1 Fe1 P2 C2 O14\n1.0\n0.000000 4.945344 0.075402\n6.332663 0.000000 0.000000\n0.000000 -0.816921 -8.581772\nLi Cr Fe P C O\n6 1 1 2 2 14\ndirect\n0.802176 0.500000 0.887916 Li\n0.275945 0.259978 0.729502 Li\n0.275945 0.740022 0.729502 Li\n0.721501 0.770527 0.269887 Li\n0.721501 0.229473 0.269887 Li\n0.195184 0.000000 0.104830 Li\n0.197431 0.500000 0.331562 Cr\n0.791424 0.000000 0.667384 Fe\n0.269870 0.000000 0.409073 P\n0.740570 0.500000 0.592436 P\n0.666656 0.000000 0.961767 C\n0.324399 0.500000 0.038935 C\n0.489454 0.500000 0.170480 O\n0.153874 0.811471 0.304988 O\n0.153874 0.188528 0.304988 O\n0.834674 0.500000 0.427705 O\n0.586510 0.000000 0.422786 O\n0.426060 0.500000 0.579678 O\n0.919222 0.000000 0.939939 O\n0.856519 0.689427 0.694321 O\n0.856519 0.310572 0.694321 O\n0.486626 0.000000 0.838611 O\n0.420016 0.500000 0.905505 O\n0.589131 0.000000 0.101037 O\n0.176206 0.000000 0.571786 O\n0.068707 0.500000 0.051170 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Cr",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Fe-Li-O-P",
"density": 2.8428637635174225,
"density_atomic": 0.09688226606964935,
"volume": 268.3669680198068,
"volume_molar": 6.215937141344981,
"formula_full": "Li6 Cr1 Fe1 P2 C2 O14",
"formula_reduced": "Li6CrFeP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.0791651115384617,
"spacegroup": 6
}
]
}