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=1278",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1276",
"results": [
{
"id": "jvasp-2691",
"created_at": "2022-09-04T14:36:44.869042Z",
"updated_at": "2022-09-04T14:36:44.869064Z",
"structure_string": "Na2 Nb2 S4\n1.0\n1.716495 -2.973056 0.000000\n1.716495 2.973056 0.000000\n0.000000 0.000000 14.187450\nNa Nb S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333331 0.666666 0.139337 S\n0.333331 0.666666 0.360663 S\n0.666666 0.333331 0.639337 S\n0.666666 0.333331 0.860663 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Nb",
"S"
],
"chemical_system": "Na-Nb-S",
"density": 4.12890331537864,
"density_atomic": 0.05524716727581744,
"volume": 144.80380433010413,
"volume_molar": 10.900361153242306,
"formula_full": "Na2 Nb2 S4",
"formula_reduced": "NaNbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8071371,
"spacegroup": 194
},
{
"id": "jvasp-71292",
"created_at": "2022-09-04T14:35:52.206076Z",
"updated_at": "2022-09-04T14:35:52.206099Z",
"structure_string": "Be1 Ga2 Cl1\n1.0\n2.907170 -0.000000 -0.000000\n-0.000000 2.907170 0.000000\n-0.000000 0.000000 8.751408\nBe Ga Cl\n1 2 1\ndirect\n0.000000 0.000000 0.506987 Be\n0.000000 0.000000 0.034326 Ga\n0.500000 0.500000 0.302991 Ga\n0.500000 0.500000 0.655696 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Cl"
],
"chemical_system": "Be-Cl-Ga",
"density": 4.128938790930699,
"density_atomic": 0.054080562859960775,
"volume": 73.96372723334672,
"volume_molar": 11.135499413336483,
"formula_full": "Be1 Ga2 Cl1",
"formula_reduced": "BeGa2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.273363704375,
"spacegroup": 99
},
{
"id": "jvasp-115431",
"created_at": "2022-09-04T14:38:46.570893Z",
"updated_at": "2022-09-04T14:38:46.570922Z",
"structure_string": "Na1 As1 Se1\n1.0\n2.841391 0.000000 -0.000000\n-0.000000 2.841391 -0.000000\n-0.000000 -0.000000 8.810592\nNa As Se\n1 1 1\ndirect\n0.000000 0.000000 0.652307 Na\n0.000000 0.000000 0.333082 As\n-0.000000 -0.000000 -0.033115 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"As",
"Se"
],
"chemical_system": "As-Na-Se",
"density": 4.128949241512666,
"density_atomic": 0.042174909879021935,
"volume": 71.13233931276801,
"volume_molar": 14.278965330985688,
"formula_full": "Na1 As1 Se1",
"formula_reduced": "NaAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9166847055555556,
"spacegroup": 99
},
{
"id": "jvasp-61492",
"created_at": "2022-09-04T14:35:51.798487Z",
"updated_at": "2022-09-04T14:35:51.798506Z",
"structure_string": "Ca12 Au4\n1.0\n6.738890 -0.000000 0.000000\n0.000000 7.805322 0.000000\n0.000000 0.000000 9.700044\nCa Au\n12 4\ndirect\n0.862933 0.033388 0.750000 Ca\n0.362933 0.466612 0.250000 Ca\n0.137067 0.966612 0.250000 Ca\n0.637067 0.533388 0.750000 Ca\n0.338220 0.175494 0.937809 Ca\n0.838220 0.324506 0.062190 Ca\n0.661780 0.824506 0.437809 Ca\n0.161780 0.675494 0.562190 Ca\n0.661780 0.824506 0.062190 Ca\n0.161780 0.675494 0.937809 Ca\n0.338220 0.175494 0.562190 Ca\n0.838220 0.324506 0.437809 Ca\n0.047539 0.378441 0.750000 Au\n0.547539 0.121559 0.250000 Au\n0.952461 0.621559 0.250000 Au\n0.452461 0.878440 0.750000 Au\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 4.129430401008716,
"density_atomic": 0.03135935250115089,
"volume": 510.2146161791064,
"volume_molar": 19.2036514777497,
"formula_full": "Ca12 Au4",
"formula_reduced": "Ca3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-97977",
"created_at": "2022-09-04T14:36:09.844869Z",
"updated_at": "2022-09-04T14:36:09.844888Z",
"structure_string": "Rb4 B4 Se12\n1.0\n6.208857 0.011997 0.000000\n-1.960142 6.957668 0.000000\n0.000000 0.000000 12.397664\nRb B Se\n4 4 12\ndirect\n0.208298 0.256254 0.424539 Rb\n0.791703 0.743747 0.575460 Rb\n0.708298 0.256254 0.075460 Rb\n0.291703 0.743747 0.924539 Rb\n0.674980 0.697180 0.229176 B\n0.174980 0.697179 0.270824 B\n0.325021 0.302821 0.770824 B\n0.825021 0.302821 0.729176 B\n0.322172 0.055026 0.681481 Se\n0.822172 0.055026 0.818519 Se\n0.677829 0.944975 0.318519 Se\n0.333784 0.794722 0.413772 Se\n0.666217 0.205279 0.586228 Se\n0.833785 0.794722 0.086228 Se\n0.356884 0.532396 0.191490 Se\n0.143116 0.467604 0.691490 Se\n0.643117 0.467605 0.808510 Se\n0.856885 0.532396 0.308510 Se\n0.177829 0.944975 0.181481 Se\n0.166216 0.205278 0.913772 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"B",
"Se"
],
"chemical_system": "B-Rb-Se",
"density": 4.129607818123257,
"density_atomic": 0.03732316176689458,
"volume": 535.8602822802617,
"volume_molar": 16.135130237925345,
"formula_full": "Rb4 B4 Se12",
"formula_reduced": "RbBSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5243345366666667,
"spacegroup": 14
},
{
"id": "jvasp-109806",
"created_at": "2022-09-04T14:38:14.139940Z",
"updated_at": "2022-09-04T14:38:14.139973Z",
"structure_string": "Ba2 Na2 N2\n1.0\n4.086741 0.000000 0.000000\n-2.043370 3.539224 0.000000\n0.000000 0.000000 9.692415\nBa Na N\n2 2 2\ndirect\n-0.000000 0.000001 0.497362 Ba\n-0.000001 0.999998 -0.002637 Ba\n0.666666 0.333333 0.722858 Na\n0.333333 0.666666 0.222859 Na\n0.333333 0.666666 0.624418 N\n0.666666 0.333333 0.124419 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"N"
],
"chemical_system": "Ba-N-Na",
"density": 4.1296931876738325,
"density_atomic": 0.04279904556127243,
"volume": 140.19004212162196,
"volume_molar": 14.070736113445607,
"formula_full": "Ba2 Na2 N2",
"formula_reduced": "BaNaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.171076073333333,
"spacegroup": 186
},
{
"id": "jvasp-121103",
"created_at": "2022-09-04T14:38:53.851085Z",
"updated_at": "2022-09-04T14:38:53.851104Z",
"structure_string": "Rb1 Zn1 H3\n1.0\n3.955386 -0.000000 0.000000\n0.000000 3.955386 -0.000000\n0.000000 0.000000 3.955386\nRb Zn H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Zn\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 0.000000 H\n0.000000 0.500001 0.500001 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 4.129741336776381,
"density_atomic": 0.08079851673454086,
"volume": 61.88232410784505,
"volume_molar": 7.453281326667687,
"formula_full": "Rb1 Zn1 H3",
"formula_reduced": "RbZnH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0909100799999998,
"spacegroup": 221
},
{
"id": "jvasp-74384",
"created_at": "2022-09-04T14:36:15.079271Z",
"updated_at": "2022-09-04T14:36:15.079297Z",
"structure_string": "K2 Be1 Tl1\n1.0\n-2.747954 2.747954 3.881617\n2.747954 -2.747954 3.881617\n2.747954 2.747954 -3.881617\nK Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Tl"
],
"chemical_system": "Be-K-Tl",
"density": 4.1298400798494646,
"density_atomic": 0.0341168088175149,
"volume": 117.24425990119211,
"volume_molar": 17.651535910675065,
"formula_full": "K2 Be1 Tl1",
"formula_reduced": "K2BeTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-116754",
"created_at": "2022-09-04T14:38:33.319974Z",
"updated_at": "2022-09-04T14:38:33.320000Z",
"structure_string": "Li4 V6 O12\n1.0\n4.946865 -0.005135 0.669460\n-0.786809 6.492611 -0.799222\n0.010054 -0.080643 6.588251\nLi V O\n4 6 12\ndirect\n-0.000002 0.669886 0.669888 Li\n0.500001 0.169887 0.169885 Li\n0.000001 0.330096 0.330096 Li\n0.500000 0.830098 0.830097 Li\n0.250007 0.750004 0.250006 V\n0.250002 0.092857 0.592856 V\n0.749999 0.907146 0.407146 V\n0.749992 0.250010 0.750007 V\n0.749998 0.592859 0.092861 V\n0.250002 0.407144 0.907142 V\n0.127322 0.031549 0.313417 O\n0.627321 0.531555 0.813417 O\n0.872678 0.968463 0.686581 O\n0.372679 0.468457 0.186580 O\n0.372679 0.813415 0.531552 O\n0.384853 0.132891 0.867110 O\n0.115140 0.367106 0.632894 O\n0.615147 0.867111 0.132894 O\n0.884859 0.632898 0.367108 O\n0.127321 0.686577 0.968460 O\n0.872679 0.313420 0.031550 O\n0.627321 0.186584 0.468459 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.129870173509722,
"density_atomic": 0.1041394117285935,
"volume": 211.255274394444,
"volume_molar": 5.782768175889843,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9566039636363635,
"spacegroup": 12
},
{
"id": "jvasp-102573",
"created_at": "2022-09-04T14:36:52.273914Z",
"updated_at": "2022-09-04T14:36:52.273940Z",
"structure_string": "Tm1 Mg3\n1.0\n4.615481 -0.000000 0.000000\n0.000000 4.615481 -0.000000\n0.000000 -0.000000 4.564782\nTm Mg\n1 3\ndirect\n0.500000 0.500000 -0.000000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.129902452070725,
"density_atomic": 0.04113448028221203,
"volume": 97.24202111117319,
"volume_molar": 14.640128472959413,
"formula_full": "Tm1 Mg3",
"formula_reduced": "TmMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2369650859374999,
"spacegroup": 221
},
{
"id": "jvasp-111993",
"created_at": "2022-09-04T14:38:53.165429Z",
"updated_at": "2022-09-04T14:38:53.165453Z",
"structure_string": "Li4 V2 Cr6 O16\n1.0\n5.080603 0.003343 2.933838\n1.688230 9.410122 2.933923\n-0.000199 0.000265 5.867599\nLi V Cr O\n4 2 6 16\ndirect\n0.437198 0.688448 0.437171 Li\n0.937196 0.188447 0.937171 Li\n0.062813 0.811558 0.062810 Li\n0.562812 0.311559 0.562815 Li\n0.250013 0.249985 0.249994 V\n0.750014 0.749986 0.749991 V\n-0.000003 0.000002 0.500000 Cr\n-0.000000 0.500002 0.500003 Cr\n-0.000001 0.500001 0.000007 Cr\n0.499992 0.000003 0.000002 Cr\n0.499995 0.000000 0.500003 Cr\n0.499993 0.499998 0.000011 Cr\n0.142524 0.122164 0.142587 O\n0.857460 0.877841 0.407289 O\n0.357460 0.377843 0.907293 O\n0.857452 0.877839 0.857410 O\n0.357453 0.377838 0.357415 O\n0.642522 0.622162 0.642590 O\n0.642531 0.622156 0.092724 O\n0.868617 0.394239 0.868584 O\n0.092755 0.622142 0.642557 O\n0.592752 0.122140 0.142555 O\n0.631375 0.105766 0.631422 O\n0.131378 0.605766 0.131427 O\n0.907272 0.377862 0.357441 O\n0.368614 0.894239 0.368578 O\n0.142531 0.122155 0.592719 O\n0.407272 0.877860 0.857436 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.1299062749104625,
"density_atomic": 0.09982376411711369,
"volume": 280.4943316618503,
"volume_molar": 6.032772670177812,
"formula_full": "Li4 V2 Cr6 O16",
"formula_reduced": "Li2VCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.314274600000001,
"spacegroup": 166
},
{
"id": "jvasp-112744",
"created_at": "2022-09-04T14:38:43.804490Z",
"updated_at": "2022-09-04T14:38:43.804528Z",
"structure_string": "Li4 V6 O12\n1.0\n4.948832 -0.022917 0.653787\n-0.768218 6.495269 -0.797132\n0.032849 -0.080043 6.588369\nLi V O\n4 6 12\ndirect\n-0.000019 0.669869 0.669861 Li\n0.500019 0.169861 0.169870 Li\n-0.000034 0.330122 0.330149 Li\n0.500034 0.830147 0.830121 Li\n0.750009 0.249969 0.749972 V\n0.249993 0.750032 0.250029 V\n0.750002 0.907118 0.407116 V\n0.750002 0.592808 0.092806 V\n0.249998 0.092886 0.592886 V\n0.249997 0.407190 0.907190 V\n0.127421 0.031566 0.313436 O\n0.627420 0.531526 0.813378 O\n0.872585 0.968434 0.686573 O\n0.372574 0.468475 0.186615 O\n0.372578 0.813438 0.531563 O\n0.384754 0.132920 0.867131 O\n0.115253 0.367134 0.632917 O\n0.615254 0.867078 0.132872 O\n0.884739 0.632868 0.367083 O\n0.127425 0.686618 0.968473 O\n0.872580 0.313374 0.031531 O\n0.627415 0.186569 0.468438 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.1300503325822575,
"density_atomic": 0.10414395464617765,
"volume": 211.24605911830002,
"volume_molar": 5.78251592275311,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.9565966909090906,
"spacegroup": 12
}
]
}