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=-volume_molar&page=3400",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3398",
"results": [
{
"id": "jvasp-50358",
"created_at": "2022-09-04T14:35:46.589651Z",
"updated_at": "2022-09-04T14:35:46.589673Z",
"structure_string": "Ho4 Zr4 O14\n1.0\n-0.000000 5.250439 5.250439\n5.250439 -0.000000 5.250439\n5.250439 5.250439 -0.000000\nHo Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.908383 0.341617 0.908383 O\n0.341617 0.341617 0.908383 O\n0.908383 0.908383 0.341617 O\n0.341617 0.908383 0.341617 O\n0.625000 0.625000 0.625000 O\n0.375000 0.375000 0.375000 O\n0.091617 0.658383 0.091617 O\n0.658383 0.091617 0.658383 O\n0.091617 0.091617 0.658383 O\n0.091617 0.658383 0.658383 O\n0.908383 0.341617 0.341617 O\n0.658383 0.091617 0.091617 O\n0.658383 0.658383 0.091617 O\n0.341617 0.908383 0.908383 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Zr",
"O"
],
"chemical_system": "Ho-O-Zr",
"density": 7.16240161706973,
"density_atomic": 0.0759986422742829,
"volume": 289.4788556958807,
"volume_molar": 7.924010982019643,
"formula_full": "Ho4 Zr4 O14",
"formula_reduced": "Ho2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7727513303030302,
"spacegroup": 227
},
{
"id": "jvasp-54443",
"created_at": "2022-09-04T14:37:41.292115Z",
"updated_at": "2022-09-04T14:37:41.292137Z",
"structure_string": "Li2 I2 O6\n1.0\n2.728254 -4.725475 0.000000\n2.728255 4.725475 0.000000\n0.000000 0.000000 5.103067\nLi I O\n2 2 6\ndirect\n0.000000 0.000000 0.423090 Li\n0.000000 0.000000 0.923090 Li\n0.666666 0.333332 0.489566 I\n0.333332 0.666666 0.989566 I\n0.257413 0.339589 0.161215 O\n0.660410 0.917822 0.161215 O\n0.742586 0.660410 0.661215 O\n0.339589 0.082176 0.661215 O\n0.917823 0.257412 0.661215 O\n0.082176 0.742586 0.161215 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"I",
"O"
],
"chemical_system": "I-Li-O",
"density": 4.589714430442339,
"density_atomic": 0.07599908855193793,
"volume": 131.58052537914293,
"volume_molar": 7.923964451079511,
"formula_full": "Li2 I2 O6",
"formula_reduced": "LiIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4053033549999998,
"spacegroup": 173
},
{
"id": "jvasp-12467",
"created_at": "2022-09-04T14:37:28.047623Z",
"updated_at": "2022-09-04T14:37:28.047649Z",
"structure_string": "Li2 I2 O6\n1.0\n2.728011 -4.725054 0.000000\n2.728011 4.725054 0.000000\n0.000000 0.000000 5.103750\nLi I O\n2 2 6\ndirect\n0.000000 0.000000 0.074205 Li\n0.000000 0.000000 0.574205 Li\n0.333333 0.666667 0.507868 I\n0.666667 0.333333 0.007868 I\n0.082222 0.742650 0.336209 O\n0.917778 0.257350 0.836209 O\n0.339571 0.082222 0.836209 O\n0.257350 0.339571 0.336209 O\n0.742650 0.660428 0.836209 O\n0.660428 0.917778 0.336209 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"I",
"O"
],
"chemical_system": "I-Li-O",
"density": 4.589918762673705,
"density_atomic": 0.07600247200064282,
"volume": 131.57466772811574,
"volume_molar": 7.923611695089424,
"formula_full": "Li2 I2 O6",
"formula_reduced": "LiIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4053033549999998,
"spacegroup": 173
},
{
"id": "jvasp-108113",
"created_at": "2022-09-04T14:38:06.091049Z",
"updated_at": "2022-09-04T14:38:06.091076Z",
"structure_string": "K1 Na1 Nb2 O6\n1.0\n3.995990 -0.000000 0.000000\n0.000000 4.082462 0.026512\n0.000000 -0.001212 8.065318\nK Na Nb O\n1 1 2 6\ndirect\n0.500000 0.483589 0.241661 K\n0.500000 0.534952 0.749352 Na\n-0.000000 0.999713 0.993174 Nb\n-0.000000 0.996460 0.498461 Nb\n0.500000 0.953704 0.485448 O\n0.500000 0.956987 0.976909 O\n-0.000000 0.965096 0.232975 O\n-0.000000 0.948720 0.735096 O\n-0.000000 0.460068 0.489817 O\n-0.000000 0.463107 0.978306 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-O",
"density": 4.340195689360488,
"density_atomic": 0.07600314033069949,
"volume": 131.5735107324343,
"volume_molar": 7.923542019180901,
"formula_full": "K1 Na1 Nb2 O6",
"formula_reduced": "KNaNb2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.58858568,
"spacegroup": 6
},
{
"id": "jvasp-52908",
"created_at": "2022-09-04T14:36:59.153416Z",
"updated_at": "2022-09-04T14:36:59.153438Z",
"structure_string": "Zr4 H4\n1.0\n4.572158 0.000004 -0.000007\n0.000004 4.572148 0.000004\n-0.000008 0.000005 5.035150\nZr H\n4 4\ndirect\n0.750001 0.249998 0.749998 Zr\n0.249998 0.749999 0.749999 Zr\n0.250000 0.249999 0.250001 Zr\n0.749999 0.749999 0.249998 Zr\n0.499998 0.500000 0.500000 H\n-0.000000 0.000001 1.000000 H\n0.500001 0.499999 0.999999 H\n0.999999 0.999998 0.499999 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"H"
],
"chemical_system": "H-Zr",
"density": 5.820181250897517,
"density_atomic": 0.07600393259369853,
"volume": 105.2577113708887,
"volume_molar": 7.923459424386804,
"formula_full": "Zr4 H4",
"formula_reduced": "ZrH",
"formula_anonymous": "AB",
"energy_above_hull": 2.07087225,
"spacegroup": 131
},
{
"id": "jvasp-9710",
"created_at": "2022-09-04T14:36:42.106510Z",
"updated_at": "2022-09-04T14:36:42.106528Z",
"structure_string": "Na4 U1 O5\n1.0\n4.262339 0.000000 1.850967\n2.131168 5.320966 0.925484\n0.011702 -0.000001 5.806113\nNa U O\n4 1 5\ndirect\n0.593977 0.600022 0.212023 Na\n0.406023 0.399979 0.787976 Na\n0.194000 0.212023 0.399978 Na\n0.806000 0.787977 0.600021 Na\n0.000000 0.000000 0.000000 U\n0.740729 0.178909 0.339633 O\n0.080362 0.660368 0.178908 O\n0.919638 0.339633 0.821091 O\n0.259271 0.821092 0.660366 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"U",
"O"
],
"chemical_system": "Na-O-U",
"density": 5.174559350272043,
"density_atomic": 0.07600747775664377,
"volume": 131.56600238752043,
"volume_molar": 7.923089856081441,
"formula_full": "Na4 U1 O5",
"formula_reduced": "Na4UO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.56517995,
"spacegroup": 87
},
{
"id": "jvasp-96793",
"created_at": "2022-09-04T14:36:21.607421Z",
"updated_at": "2022-09-04T14:36:21.607440Z",
"structure_string": "Mg8 P4 Cl4 O16\n1.0\n4.831328 0.000000 0.000000\n0.000000 7.936312 0.000000\n0.000000 0.000000 10.979633\nMg P Cl O\n8 4 4 16\ndirect\n0.508116 0.162846 0.373462 Mg\n0.008115 0.837154 0.626538 Mg\n0.000514 0.401894 0.621411 Mg\n0.008115 0.662846 0.126538 Mg\n0.508116 0.337154 0.873462 Mg\n0.500514 0.901894 0.878588 Mg\n0.000514 0.098106 0.121411 Mg\n0.500514 0.598106 0.378589 Mg\n0.953034 0.120698 0.833380 P\n0.453034 0.879302 0.166620 P\n0.953034 0.379302 0.333380 P\n0.453034 0.620698 0.666620 P\n0.758704 0.878735 0.436386 Cl\n0.258704 0.121265 0.563614 Cl\n0.258704 0.378735 0.063614 Cl\n0.758704 0.621265 0.936386 Cl\n0.846691 0.959193 0.770215 O\n0.295262 0.876166 0.041554 O\n0.269991 0.120221 0.848544 O\n0.295262 0.623833 0.541554 O\n0.346590 0.720855 0.233789 O\n0.795262 0.376166 0.458445 O\n0.846691 0.540806 0.270215 O\n0.769991 0.879778 0.151456 O\n0.795262 0.123833 0.958445 O\n0.846590 0.220856 0.266210 O\n0.769991 0.620221 0.651456 O\n0.346590 0.779144 0.733789 O\n0.346690 0.459193 0.729785 O\n0.846590 0.279144 0.766210 O\n0.269991 0.379778 0.348544 O\n0.346690 0.040806 0.229785 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-P",
"density": 2.8247004699246823,
"density_atomic": 0.07601107921663945,
"volume": 420.991259824067,
"volume_molar": 7.922714454344577,
"formula_full": "Mg8 P4 Cl4 O16",
"formula_reduced": "Mg2PClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2731814584375,
"spacegroup": 33
},
{
"id": "jvasp-115230",
"created_at": "2022-09-04T14:38:45.411680Z",
"updated_at": "2022-09-04T14:38:45.411722Z",
"structure_string": "Mg1 O2\n1.0\n3.175546 0.000000 0.041912\n0.000000 3.427889 0.000000\n-0.047731 0.000000 3.625115\nMg O\n1 2\ndirect\n0.466665 0.000000 0.133282 Mg\n-0.033361 0.000000 -0.564371 O\n-0.033303 0.000000 -0.168909 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.368887260848227,
"density_atomic": 0.07601141948320791,
"volume": 39.46775392956246,
"volume_molar": 7.922678988162275,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4361745,
"spacegroup": 47
},
{
"id": "jvasp-120097",
"created_at": "2022-09-04T14:38:38.615232Z",
"updated_at": "2022-09-04T14:38:38.615262Z",
"structure_string": "N1 Cl1 O2\n1.0\n3.538121 0.000000 0.000000\n0.000000 3.538121 0.000000\n0.000000 0.000000 4.203648\nN Cl O\n1 1 2\ndirect\n0.500000 0.500000 0.581158 N\n0.000000 0.000000 -0.031300 Cl\n0.000000 0.000000 0.600351 O\n0.500000 0.500000 0.859792 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.5704774668386197,
"density_atomic": 0.07601307233037623,
"volume": 52.62252764386062,
"volume_molar": 7.922506715457996,
"formula_full": "N1 Cl1 O2",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.561136079375,
"spacegroup": 99
},
{
"id": "jvasp-100056",
"created_at": "2022-09-04T14:36:31.354932Z",
"updated_at": "2022-09-04T14:36:31.354959Z",
"structure_string": "Zn1 W1 F6\n1.0\n4.608697 0.126813 3.163384\n1.732197 4.272665 3.163384\n0.182773 0.126812 5.586921\nZn W F\n1 1 6\ndirect\n0.500001 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 W\n0.609986 0.898915 0.243291 F\n0.898918 0.243291 0.609984 F\n0.756709 0.390015 0.101082 F\n0.101084 0.756707 0.390015 F\n0.390016 0.101082 0.756708 F\n0.243292 0.609983 0.898917 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"W",
"F"
],
"chemical_system": "F-W-Zn",
"density": 5.7316152770627795,
"density_atomic": 0.07601948944547074,
"volume": 105.2361711234387,
"volume_molar": 7.921837944359939,
"formula_full": "Zn1 W1 F6",
"formula_reduced": "ZnWF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.487361511875,
"spacegroup": 148
},
{
"id": "jvasp-49178",
"created_at": "2022-09-04T14:37:16.045896Z",
"updated_at": "2022-09-04T14:37:16.045916Z",
"structure_string": "Ca4 Ta4 O14\n1.0\n6.429857 0.000000 3.712279\n2.143285 6.062127 3.712279\n0.000000 0.000000 7.424560\nCa Ta O\n4 4 14\ndirect\n0.500001 0.500000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.500000 -0.000000 -0.000000 Ta\n0.000000 0.500000 -0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n0.932171 0.317830 0.317830 O\n0.317830 0.317830 0.932170 O\n0.932171 0.932171 0.317829 O\n0.067830 0.682170 0.682170 O\n0.375000 0.375000 0.375000 O\n0.932171 0.317830 0.932170 O\n0.317831 0.932171 0.317829 O\n0.067830 0.682170 0.067830 O\n0.067830 0.067830 0.682170 O\n0.682171 0.682170 0.067829 O\n0.682171 0.067830 0.682170 O\n0.317831 0.932171 0.932170 O\n0.625001 0.625000 0.625000 O\n0.682171 0.067830 0.067830 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Ta",
"density": 6.358125173123943,
"density_atomic": 0.07601960606600663,
"volume": 289.39902662607517,
"volume_molar": 7.921825791587331,
"formula_full": "Ca4 Ta4 O14",
"formula_reduced": "Ca2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.938933976363636,
"spacegroup": 227
},
{
"id": "jvasp-111729",
"created_at": "2022-09-04T14:38:53.544416Z",
"updated_at": "2022-09-04T14:38:53.544438Z",
"structure_string": "Tb1 Ga4 Co8\n1.0\n6.318598 -0.002371 -0.946995\n-4.687549 4.236928 -0.946995\n0.000913 0.002371 6.389168\nTb Ga Co\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.343295 0.000000 0.343295 Ga\n0.656705 0.000000 0.656705 Ga\n-0.000000 0.343295 0.343295 Ga\n-0.000000 0.656705 0.656705 Ga\n0.275522 0.500000 0.775522 Co\n0.724478 0.500000 0.224477 Co\n0.500000 0.275522 0.775522 Co\n0.500000 0.724478 0.224477 Co\n0.500000 0.500000 0.499999 Co\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.829584512730598,
"density_atomic": 0.07602133537103613,
"volume": 171.0046256955512,
"volume_molar": 7.921645588844017,
"formula_full": "Tb1 Ga4 Co8",
"formula_reduced": "Tb(GaCo2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.4395649923076927,
"spacegroup": 139
}
]
}