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{
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"results": [
{
"id": "jvasp-48885",
"created_at": "2022-09-04T14:35:41.622054Z",
"updated_at": "2022-09-04T14:35:41.622082Z",
"structure_string": "Li6 Co1 Si2 O8\n1.0\n5.036924 -0.018817 -0.009136\n0.534795 5.428287 -0.048474\n1.136922 0.042704 6.063707\nLi Co Si O\n6 1 2 8\ndirect\n0.846529 0.603145 0.188887 Li\n0.382605 0.737393 0.966835 Li\n0.234393 0.630158 0.393297 Li\n0.765605 0.369841 0.606704 Li\n0.617393 0.262606 0.033166 Li\n0.153469 0.396854 0.811113 Li\n0.499999 -0.000001 0.500000 Co\n0.121625 0.196180 0.276951 Si\n0.878373 0.803820 0.723049 Si\n0.702593 0.071006 0.774966 O\n0.211732 0.782719 0.705280 O\n0.297405 0.928993 0.225035 O\n0.808946 0.714053 0.482919 O\n0.765752 0.588975 0.899691 O\n0.234246 0.411024 0.100310 O\n0.191052 0.285946 0.517082 O\n0.788266 0.217280 0.294721 O\n",
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],
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"formula_full": "Li6 Co1 Si2 O8",
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{
"id": "jvasp-24360",
"created_at": "2022-09-04T14:38:31.788799Z",
"updated_at": "2022-09-04T14:38:31.788815Z",
"structure_string": "Rb4 Mn2 P4 S12\n1.0\n0.000000 6.153465 0.003002\n12.285669 0.000000 0.000000\n0.000000 -5.101223 -7.404974\nRb Mn P S\n4 2 4 12\ndirect\n0.203539 0.324671 0.473897 Rb\n0.796460 0.675329 0.526103 Rb\n0.796460 0.824671 0.026103 Rb\n0.203539 0.175329 0.973897 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.841468 0.459042 0.871606 P\n0.841468 0.040958 0.371606 P\n0.158532 0.959042 0.628394 P\n0.158532 0.540958 0.128394 P\n0.722264 0.169425 0.452759 S\n0.971211 0.576549 0.249111 S\n0.541970 0.569800 0.744118 S\n0.458030 0.430200 0.255882 S\n0.722264 0.330575 0.952759 S\n0.028788 0.076549 0.250889 S\n0.971211 0.923451 0.749110 S\n0.458030 0.069800 0.755882 S\n0.277735 0.669425 0.047241 S\n0.541970 0.930200 0.244118 S\n0.028788 0.423451 0.750889 S\n0.277735 0.830575 0.547240 S\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.8498056869774624,
"density_atomic": 0.039312130390522705,
"volume": 559.6237034588113,
"volume_molar": 15.318785067552094,
"formula_full": "Rb4 Mn2 P4 S12",
"formula_reduced": "Rb2Mn(PS3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 14
},
{
"id": "jvasp-63935",
"created_at": "2022-09-04T14:36:03.924295Z",
"updated_at": "2022-09-04T14:36:03.924319Z",
"structure_string": "K1 Ba1 Mn1\n1.0\n0.000000 4.069715 4.069715\n4.069715 -0.000000 4.069715\n4.069715 4.069715 -0.000000\nK Ba Mn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Mn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 2.8498477949205263,
"density_atomic": 0.022253548294157714,
"volume": 134.80996200446822,
"volume_molar": 27.06148556803865,
"formula_full": "K1 Ba1 Mn1",
"formula_reduced": "KBaMn",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
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"elements": [
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"S",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb-S",
"density": 2.8498533462685978,
"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
"volume_molar": 17.391161565476963,
"formula_full": "Rb2 S1 Br1 Cl6",
"formula_reduced": "Rb2SBrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36652",
"created_at": "2022-09-04T14:37:29.175864Z",
"updated_at": "2022-09-04T14:37:29.175884Z",
"structure_string": "Mg1 Si1 P2\n1.0\n3.217549 3.217549 -0.000000\n3.217549 -0.000000 -3.217549\n0.000000 3.217549 -3.217549\nMg Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 P\n0.750000 0.750000 0.750000 P\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-P-Si",
"density": 2.8499305430986666,
"density_atomic": 0.060041908342563184,
"volume": 66.62013434313904,
"volume_molar": 10.029895661612336,
"formula_full": "Mg1 Si1 P2",
"formula_reduced": "MgSiP2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-18703",
"created_at": "2022-09-04T14:35:44.659111Z",
"updated_at": "2022-09-04T14:35:44.659136Z",
"structure_string": "Li1 Mg2 Ga1\n1.0\n4.062498 0.000000 2.345484\n1.354166 3.830161 2.345484\n0.000000 0.000000 4.690969\nLi Mg Ga\n1 2 1\ndirect\n0.500001 0.500000 0.499999 Li\n0.750001 0.750000 0.749998 Mg\n0.250000 0.250000 0.249999 Mg\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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"Mg",
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],
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"density_atomic": 0.05480084288594111,
"volume": 72.99157803695353,
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"formula_full": "Li1 Mg2 Ga1",
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"spacegroup": 225
},
{
"id": "jvasp-30317",
"created_at": "2022-09-04T14:38:07.249302Z",
"updated_at": "2022-09-04T14:38:07.249328Z",
"structure_string": "Ni1 P2 S6\n1.0\n5.762529 0.000000 -0.106888\n-2.881265 4.993443 0.053443\n-1.742284 0.000000 6.370691\nNi P S\n1 2 6\ndirect\n0.333263 0.666529 -0.000000 Ni\n0.055854 0.000300 0.171055 P\n0.944446 0.000300 0.828945 P\n0.103667 0.667783 0.241665 S\n0.253801 0.973769 0.757398 S\n0.564116 0.667783 0.758334 S\n0.409923 0.358082 0.245849 S\n0.948159 0.358082 0.754150 S\n0.719969 0.973769 0.242601 S\n",
"nsites": 9,
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"elements": [
"Ni",
"P",
"S"
],
"chemical_system": "Ni-P-S",
"density": 2.850002739477125,
"density_atomic": 0.04934594226384884,
"volume": 182.38581709267427,
"volume_molar": 12.203922923996648,
"formula_full": "Ni1 P2 S6",
"formula_reduced": "Ni(PS3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 5
},
{
"id": "jvasp-70880",
"created_at": "2022-09-04T14:36:20.161193Z",
"updated_at": "2022-09-04T14:36:20.161213Z",
"structure_string": "Li2 Be1 Ge1\n1.0\n3.049617 0.000000 -0.000000\n-0.000000 3.049617 -0.000000\n-0.000000 0.000000 5.984983\nLi Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.994513 Li\n0.500001 0.500001 0.277071 Li\n0.000000 0.000000 0.502710 Be\n0.500001 0.500001 0.725705 Ge\n",
"nsites": 4,
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"elements": [
"Li",
"Be",
"Ge"
],
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"density": 2.8500623813003316,
"density_atomic": 0.07186318648084607,
"volume": 55.661322519648266,
"volume_molar": 8.380007977526994,
"formula_full": "Li2 Be1 Ge1",
"formula_reduced": "Li2BeGe",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-94766",
"created_at": "2022-09-04T14:35:49.858067Z",
"updated_at": "2022-09-04T14:35:49.858082Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.154499 0.156648 0.000000\n-2.941589 5.094981 0.000000\n0.000000 0.000000 4.921030\nMg Al Mo\n6 1 1\ndirect\n0.656846 0.329097 0.250000 Mg\n0.656846 0.827749 0.250000 Mg\n0.332940 0.155431 0.750000 Mg\n0.332940 0.677510 0.750000 Mg\n0.848588 0.174295 0.750000 Mg\n0.857050 0.678526 0.750000 Mg\n0.161625 0.330812 0.250000 Al\n0.153165 0.826582 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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"Al",
"Mo"
],
"chemical_system": "Al-Mg-Mo",
"density": 2.850186119922754,
"density_atomic": 0.05109320557334931,
"volume": 156.576591940688,
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"formula_full": "Mg6 Al1 Mo1",
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"spacegroup": 38
},
{
"id": "jvasp-43091",
"created_at": "2022-09-04T14:35:55.046616Z",
"updated_at": "2022-09-04T14:35:55.046645Z",
"structure_string": "K1 Li1 Zn1 S2\n1.0\n0.000000 3.942791 0.000000\n1.971395 -1.971395 6.580111\n3.942791 0.000000 0.000000\nK Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.249999 0.500000 0.250001 Li\n0.749999 0.500000 0.750000 Zn\n0.646048 0.292097 0.353952 S\n0.353950 0.707903 0.646049 S\n",
"nsites": 5,
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"elements": [
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"Li",
"Zn",
"S"
],
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"density": 2.8502253889551357,
"density_atomic": 0.04887978325324156,
"volume": 102.29177928419752,
"volume_molar": 12.32030986880579,
"formula_full": "K1 Li1 Zn1 S2",
"formula_reduced": "KLiZnS2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
},
{
"id": "jvasp-96071",
"created_at": "2022-09-04T14:35:58.529860Z",
"updated_at": "2022-09-04T14:35:58.529884Z",
"structure_string": "Eu2 Al4 Cl16\n1.0\n6.800734 0.000000 0.000000\n0.000000 6.444818 -0.346929\n0.000000 0.285827 12.999106\nEu Al Cl\n2 4 16\ndirect\n0.175887 0.500000 0.250000 Eu\n0.824112 0.500001 0.750000 Eu\n0.258048 0.665561 0.912429 Al\n0.258048 0.334440 0.587571 Al\n0.741952 0.334440 0.087571 Al\n0.741952 0.665561 0.412429 Al\n0.845572 0.645287 0.128530 Cl\n0.154427 0.354714 0.871470 Cl\n0.154427 0.645287 0.628530 Cl\n0.491510 0.233518 0.178309 Cl\n0.491510 0.766483 0.321692 Cl\n0.508489 0.766483 0.821692 Cl\n0.508489 0.233518 0.678309 Cl\n0.001459 0.840974 0.371338 Cl\n0.998540 0.840975 0.871339 Cl\n0.660984 0.289085 0.926976 Cl\n0.660984 0.710916 0.573024 Cl\n0.339015 0.710916 0.073024 Cl\n0.339015 0.289085 0.426976 Cl\n0.845572 0.354714 0.371470 Cl\n0.001459 0.159026 0.128662 Cl\n0.998540 0.159026 0.628662 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Al-Cl-Eu",
"density": 2.850253109249881,
"density_atomic": 0.03856816755995973,
"volume": 570.4185962633006,
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"formula_full": "Eu2 Al4 Cl16",
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"formula_anonymous": "AB2C8",
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"spacegroup": 13
},
{
"id": "jvasp-56358",
"created_at": "2022-09-04T14:37:40.972792Z",
"updated_at": "2022-09-04T14:37:40.972812Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.231390 -3.864881 -0.000000\n2.231390 3.864881 -0.000000\n0.000000 0.000000 10.407681\nCa Si Br\n3 1 2\ndirect\n0.333333 0.666667 0.129890 Ca\n0.666667 0.333333 0.870110 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.644080 Br\n0.666667 0.333333 0.355919 Br\n",
"nsites": 6,
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"elements": [
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"Br"
],
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"formula_full": "Ca3 Si1 Br2",
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}
]
}