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=updated_at&page=1585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1583",
"results": [
{
"id": "jvasp-102270",
"created_at": "2022-09-04T14:36:44.932491Z",
"updated_at": "2022-09-04T14:36:44.932512Z",
"structure_string": "Rb3 As1 Br6\n1.0\n7.104231 -0.000000 4.101630\n2.368077 6.697933 4.101630\n-0.000000 -0.000000 8.203260\nRb As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.771124 0.228875 0.228876 Br\n0.228876 0.228875 0.771125 Br\n0.228876 0.771124 0.771125 Br\n0.228876 0.771124 0.228876 Br\n0.771124 0.228875 0.771125 Br\n0.771125 0.771124 0.228876 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"Br"
],
"chemical_system": "As-Br-Rb",
"density": 3.448983916472596,
"density_atomic": 0.02561861517085043,
"volume": 390.3411614292984,
"volume_molar": 23.506894185491177,
"formula_full": "Rb3 As1 Br6",
"formula_reduced": "Rb3AsBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5212",
"created_at": "2022-09-04T14:36:44.944545Z",
"updated_at": "2022-09-04T14:36:44.944566Z",
"structure_string": "C4 S8 N4 Cl4 O8\n1.0\n5.154250 0.000000 0.000000\n0.000000 7.292745 0.000000\n0.000000 0.000000 13.630166\nC S N Cl O\n4 8 4 4 8\ndirect\n0.435248 0.424509 0.904449 C\n0.935248 0.575492 0.095551 C\n0.435248 0.575492 0.404449 C\n0.935248 0.424509 0.595552 C\n0.647684 0.338592 0.647540 S\n0.147684 0.661409 0.352461 S\n0.647684 0.661409 0.147540 S\n0.147684 0.338592 0.852461 S\n0.939834 0.984852 0.885248 S\n0.439834 0.015149 0.114752 S\n0.939834 0.015149 0.385248 S\n0.439834 0.984852 0.614752 S\n0.643585 0.134470 0.595120 N\n0.143585 0.865530 0.404881 N\n0.643585 0.865530 0.095119 N\n0.143585 0.134470 0.904881 N\n0.987762 0.646829 0.645460 Cl\n0.487762 0.353172 0.354541 Cl\n0.987762 0.353172 0.145460 Cl\n0.487762 0.646829 0.854541 Cl\n0.728829 0.029595 0.816870 O\n0.228829 0.970406 0.183130 O\n0.728829 0.970406 0.316870 O\n0.228829 0.029595 0.683130 O\n0.079659 0.353079 0.538142 O\n0.579659 0.646921 0.461859 O\n0.079659 0.646921 0.038141 O\n0.579659 0.353079 0.961859 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-N-O-S",
"density": 2.0431744286637397,
"density_atomic": 0.05465128508030753,
"volume": 512.3392791012196,
"volume_molar": 11.019211627230254,
"formula_full": "C4 S8 N4 Cl4 O8",
"formula_reduced": "CS2NClO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 3.195107759642857,
"spacegroup": 29
},
{
"id": "jvasp-34240",
"created_at": "2022-09-04T14:36:44.945324Z",
"updated_at": "2022-09-04T14:36:44.945344Z",
"structure_string": "Li4 C1 O4\n1.0\n4.023733 0.000009 1.674000\n1.927434 4.509344 1.039922\n0.279375 -0.194868 5.001318\nLi C O\n4 1 4\ndirect\n0.496489 0.157588 0.501011 Li\n0.155085 0.842413 0.498986 Li\n0.407674 0.499097 0.842388 Li\n0.749162 0.500903 0.157614 Li\n0.952115 0.499999 0.500001 C\n0.270525 0.500627 0.248441 O\n0.633770 0.751552 0.499259 O\n0.019596 0.499365 0.751559 O\n0.884573 0.248452 0.500746 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 1.940002773588892,
"density_atomic": 0.10132446523052967,
"volume": 88.82356279427218,
"volume_molar": 5.943422199464511,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2172571111111115,
"spacegroup": 121
},
{
"id": "jvasp-11004",
"created_at": "2022-09-04T14:36:44.947401Z",
"updated_at": "2022-09-04T14:36:44.947413Z",
"structure_string": "Ba2 Tm1 Ru1 O6\n1.0\n5.109443 0.000000 2.949938\n1.703147 4.817229 2.949938\n-0.000000 0.000000 5.899877\nBa Tm Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ru\n0.236592 0.763409 0.763409 O\n0.236592 0.763409 0.236592 O\n0.763408 0.236591 0.763409 O\n0.236591 0.236591 0.763409 O\n0.763408 0.236591 0.236592 O\n0.763409 0.763409 0.236592 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Tm",
"density": 7.325870623415976,
"density_atomic": 0.06886304010050906,
"volume": 145.2157788184271,
"volume_molar": 8.745098606175945,
"formula_full": "Ba2 Tm1 Ru1 O6",
"formula_reduced": "Ba2TmRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.101009769,
"spacegroup": 225
},
{
"id": "jvasp-100075",
"created_at": "2022-09-04T14:36:44.947814Z",
"updated_at": "2022-09-04T14:36:44.947844Z",
"structure_string": "Li3 As1 F6\n1.0\n4.874539 -0.000000 2.814317\n1.624846 4.595759 2.814317\n-0.000000 -0.000000 5.628632\nLi As F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 As\n0.255972 0.255972 0.744028 F\n0.255973 0.744028 0.744028 F\n0.744028 0.744028 0.255973 F\n0.255973 0.744028 0.255972 F\n0.744028 0.255972 0.744028 F\n0.744028 0.255972 0.255973 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li",
"density": 2.762017312298878,
"density_atomic": 0.07930605535219472,
"volume": 126.09377626450386,
"volume_molar": 7.593544696247892,
"formula_full": "Li3 As1 F6",
"formula_reduced": "Li3AsF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.1752953445000002,
"spacegroup": 225
},
{
"id": "jvasp-8161",
"created_at": "2022-09-04T14:36:44.949975Z",
"updated_at": "2022-09-04T14:36:44.949994Z",
"structure_string": "Th2 S2 O2\n1.0\n3.983337 0.000000 0.000000\n0.000000 3.983337 0.000000\n0.000000 0.000000 6.785977\nTh S O\n2 2 2\ndirect\n0.000000 0.500000 0.799504 Th\n0.500000 0.000000 0.200496 Th\n0.500000 0.000000 0.638380 S\n0.000000 0.500000 0.361620 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"S",
"O"
],
"chemical_system": "O-S-Th",
"density": 8.63951836512927,
"density_atomic": 0.05572431857049036,
"volume": 107.67291828629716,
"volume_molar": 10.807024499334325,
"formula_full": "Th2 S2 O2",
"formula_reduced": "ThSO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.176086366666667,
"spacegroup": 129
},
{
"id": "jvasp-15509",
"created_at": "2022-09-04T14:36:44.955370Z",
"updated_at": "2022-09-04T14:36:44.955395Z",
"structure_string": "Pr1 Co2 P2\n1.0\n3.580260 -0.000000 -1.327797\n-0.492434 3.546234 -1.327797\n0.199093 0.228649 6.027622\nPr Co P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250001 0.749999 0.499999 Co\n0.750000 0.250000 0.499999 Co\n0.643665 0.643664 0.287328 P\n0.356336 0.356336 0.712671 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Co",
"P"
],
"chemical_system": "Co-P-Pr",
"density": 6.7668175885245105,
"density_atomic": 0.06352976008407864,
"volume": 78.70327218901403,
"volume_molar": 9.479243667896718,
"formula_full": "Pr1 Co2 P2",
"formula_reduced": "Pr(CoP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8341045300000003,
"spacegroup": 139
},
{
"id": "jvasp-54300",
"created_at": "2022-09-04T14:36:44.955839Z",
"updated_at": "2022-09-04T14:36:44.955854Z",
"structure_string": "Ti8 As16\n1.0\n3.515652 0.000000 0.000000\n0.000000 8.985462 -0.000000\n0.000000 -0.000000 13.335951\nTi As\n8 16\ndirect\n0.000000 0.671927 0.993044 Ti\n0.000000 0.518400 0.247873 Ti\n0.000000 0.481600 0.752127 Ti\n0.500000 0.828073 0.493044 Ti\n0.500000 0.981600 0.747872 Ti\n0.500000 0.171927 0.506956 Ti\n0.500000 0.018400 0.252127 Ti\n0.000000 0.328073 0.006956 Ti\n0.500000 0.511568 0.100604 As\n0.500000 0.274325 0.698290 As\n0.000000 0.988431 0.600604 As\n0.000000 0.225675 0.198290 As\n0.000000 0.384778 0.557452 As\n0.000000 0.615222 0.442548 As\n0.000000 0.164691 0.838989 As\n0.000000 0.774325 0.801710 As\n0.500000 0.335309 0.338989 As\n0.500000 0.115222 0.057452 As\n0.000000 0.835309 0.161011 As\n0.000000 0.011569 0.399396 As\n0.500000 0.725675 0.301710 As\n0.500000 0.488431 0.899396 As\n0.500000 0.664691 0.661011 As\n0.500000 0.884778 0.942548 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 6.234446140542346,
"density_atomic": 0.056969309977875804,
"volume": 421.2794574714082,
"volume_molar": 10.570850800788559,
"formula_full": "Ti8 As16",
"formula_reduced": "TiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.295490611111111,
"spacegroup": 58
},
{
"id": "jvasp-104525",
"created_at": "2022-09-04T14:36:44.955928Z",
"updated_at": "2022-09-04T14:36:44.955955Z",
"structure_string": "Na2 Sc1 Cu1 Cl6\n1.0\n6.050101 -0.000000 3.493027\n2.016700 5.704090 3.493027\n-0.000000 -0.000000 6.986055\nNa Sc Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.749993 0.250007 0.250007 Cl\n0.250007 0.250007 0.749993 Cl\n0.250007 0.749992 0.749992 Cl\n0.250007 0.749993 0.250007 Cl\n0.749993 0.250007 0.749992 Cl\n0.749993 0.749993 0.250007 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Sc",
"density": 2.529124016550798,
"density_atomic": 0.04147811443944469,
"volume": 241.09099787068044,
"volume_molar": 14.51883925146098,
"formula_full": "Na2 Sc1 Cu1 Cl6",
"formula_reduced": "Na2ScCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0017078105,
"spacegroup": 225
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Bi",
"O"
],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.594471367,
"spacegroup": 14
},
{
"id": "jvasp-16235",
"created_at": "2022-09-04T14:36:44.962607Z",
"updated_at": "2022-09-04T14:36:44.962634Z",
"structure_string": "Ni1 B2 Mo2\n1.0\n2.987595 -0.000000 1.129998\n0.871375 3.851288 2.210618\n-0.004114 0.005930 4.525317\nNi B Mo\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500001 0.699902 0.300098 B\n0.500001 0.300097 0.699902 B\n0.800302 0.699699 0.699700 Mo\n0.199699 0.300301 0.300302 Mo\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"B",
"Mo"
],
"chemical_system": "B-Mo-Ni",
"density": 8.683239846030222,
"density_atomic": 0.09605543044391203,
"volume": 52.05327774695219,
"volume_molar": 6.269443312230435,
"formula_full": "Ni1 B2 Mo2",
"formula_reduced": "Ni(BMo)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.590625873333332,
"spacegroup": 71
},
{
"id": "jvasp-18561",
"created_at": "2022-09-04T14:36:44.963451Z",
"updated_at": "2022-09-04T14:36:44.963471Z",
"structure_string": "Ce1 Si2 Ru3\n1.0\n2.805830 -4.859840 0.000000\n2.805830 4.859840 0.000000\n0.000000 0.000000 3.625357\nCe Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ru"
],
"chemical_system": "Ce-Ru-Si",
"density": 8.389148478638546,
"density_atomic": 0.060685809539228495,
"volume": 98.86990130899518,
"volume_molar": 9.923474376834621,
"formula_full": "Ce1 Si2 Ru3",
"formula_reduced": "CeSi2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.958057366666667,
"spacegroup": 191
}
]
}