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=-energy_above_hull&page=1070",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1068",
"results": [
{
"id": "jvasp-12636",
"created_at": "2022-09-04T14:37:07.255470Z",
"updated_at": "2022-09-04T14:37:07.255499Z",
"structure_string": "Fe4 Te2 O12\n1.0\n4.488111 -0.000000 0.000000\n0.000000 4.488111 0.000000\n0.000000 0.000000 9.073588\nFe Te O\n4 2 12\ndirect\n0.000000 0.000000 0.331698 Fe\n0.500000 0.500000 0.831698 Fe\n0.000000 0.000000 0.668302 Fe\n0.500000 0.500000 0.168302 Fe\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.199402 0.800598 0.825919 O\n0.816950 0.183050 0.500000 O\n0.183050 0.816950 0.500000 O\n0.316950 0.316950 0.000000 O\n0.800598 0.199402 0.825919 O\n0.699402 0.699402 0.325919 O\n0.199402 0.800598 0.174081 O\n0.300598 0.300598 0.325919 O\n0.300598 0.300598 0.674081 O\n0.699402 0.699402 0.674081 O\n0.800598 0.199402 0.174081 O\n0.683050 0.683050 0.000000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"O"
],
"chemical_system": "Fe-O-Te",
"density": 6.0924054313637335,
"density_atomic": 0.09848413409731495,
"volume": 182.77055654684128,
"volume_molar": 6.114833435047876,
"formula_full": "Fe4 Te2 O12",
"formula_reduced": "Fe2TeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7826999740740743,
"spacegroup": 136
},
{
"id": "jvasp-98626",
"created_at": "2022-09-04T14:36:09.267655Z",
"updated_at": "2022-09-04T14:36:09.267676Z",
"structure_string": "Ca2 H24 I4 O28\n1.0\n8.672033 2.765854 -5.028183\n-8.672033 2.765854 5.028183\n-0.040495 0.000000 11.356444\nCa H I O\n2 24 4 28\ndirect\n0.567727 0.567727 0.750000 Ca\n0.432272 0.432272 0.250000 Ca\n0.956199 0.888677 0.155070 H\n0.111321 0.043800 0.655070 H\n0.043800 0.111322 0.844929 H\n0.621828 0.784418 0.350149 H\n0.784418 0.621828 0.149851 H\n0.378170 0.215581 0.649851 H\n0.215580 0.378171 0.850148 H\n0.355623 0.119393 0.171281 H\n0.119393 0.355623 0.328719 H\n0.644375 0.880606 0.828719 H\n0.880606 0.644376 0.671280 H\n0.281369 0.211243 0.035669 H\n0.211243 0.281369 0.464331 H\n0.718630 0.788756 0.964331 H\n0.788755 0.718630 0.535668 H\n0.852362 0.516043 0.483301 H\n0.516043 0.852362 0.016698 H\n0.147636 0.483956 0.516698 H\n0.483955 0.147637 0.983301 H\n0.159751 0.643204 0.690166 H\n0.643204 0.159751 0.809833 H\n0.840247 0.356795 0.309833 H\n0.356795 0.840248 0.190167 H\n0.888677 0.956199 0.344929 H\n0.415150 0.059410 0.521834 I\n0.059410 0.415151 0.978165 I\n0.940589 0.584848 0.021835 I\n0.584848 0.940589 0.478165 I\n0.775523 0.715525 0.138972 O\n0.284474 0.224476 0.638971 O\n0.224476 0.284474 0.861028 O\n0.297209 0.172207 0.137306 O\n0.172207 0.297209 0.362694 O\n0.702789 0.827792 0.862693 O\n0.827791 0.702790 0.637306 O\n0.362418 0.936713 0.385658 O\n0.936713 0.362418 0.114342 O\n0.637580 0.063286 0.614342 O\n0.063285 0.637581 0.885657 O\n0.685151 0.402268 0.420754 O\n0.402268 0.685151 0.079246 O\n0.597730 0.314848 0.920753 O\n0.120836 0.704091 0.597103 O\n0.704091 0.120837 0.902896 O\n0.879162 0.295908 0.402896 O\n0.295908 0.879162 0.097103 O\n0.522223 0.183058 0.665536 O\n0.183057 0.522223 0.834464 O\n0.477776 0.816941 0.334464 O\n0.816941 0.477776 0.165536 O\n0.203094 0.038336 0.406469 O\n0.038336 0.203094 0.093531 O\n0.796904 0.961663 0.593530 O\n0.961662 0.796905 0.906469 O\n0.314847 0.597731 0.579246 O\n0.715525 0.775523 0.361028 O\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Ca",
"H",
"I",
"O"
],
"chemical_system": "Ca-H-I-O",
"density": 3.237500304954873,
"density_atomic": 0.1066852309908149,
"volume": 543.6553819243596,
"volume_molar": 5.644774542896643,
"formula_full": "Ca2 H24 I4 O28",
"formula_reduced": "CaH12(IO7)2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 2.7826959300000005,
"spacegroup": 15
},
{
"id": "jvasp-44669",
"created_at": "2022-09-04T14:38:10.906621Z",
"updated_at": "2022-09-04T14:38:10.906642Z",
"structure_string": "Lu6 W1 O12\n1.0\n6.310059 -0.008444 -0.010100\n-0.957589 6.236982 -0.010099\n-0.957588 -1.114322 6.136639\nLu W O\n6 1 12\ndirect\n0.143801 0.319250 0.611091 Lu\n0.388908 0.856199 0.680750 Lu\n0.319250 0.611091 0.143801 Lu\n0.680750 0.388909 0.856199 Lu\n0.611091 0.143802 0.319250 Lu\n0.856199 0.680750 0.388909 Lu\n0.000000 0.000000 0.000000 W\n0.822669 0.411557 0.572349 O\n0.698623 0.036154 0.918342 O\n0.588444 0.427652 0.177331 O\n0.572348 0.822669 0.411556 O\n0.427651 0.177332 0.588444 O\n0.177331 0.588444 0.427652 O\n0.301377 0.963847 0.081658 O\n0.918342 0.698624 0.036153 O\n0.081658 0.301377 0.963847 O\n0.036152 0.918342 0.698623 O\n0.411556 0.572349 0.822669 O\n0.963847 0.081659 0.301377 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Lu",
"W",
"O"
],
"chemical_system": "Lu-O-W",
"density": 9.809885935613785,
"density_atomic": 0.07873361153363372,
"volume": 241.32006178687118,
"volume_molar": 7.64875463311808,
"formula_full": "Lu6 W1 O12",
"formula_reduced": "Lu6WO12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.782639815789473,
"spacegroup": 148
},
{
"id": "jvasp-91804",
"created_at": "2022-09-04T14:35:52.348339Z",
"updated_at": "2022-09-04T14:35:52.348361Z",
"structure_string": "S4 N4\n1.0\n0.000000 -2.864733 -1.097009\n-4.681948 0.000000 0.000000\n0.000000 0.384676 -9.595402\nS N\n4 4\ndirect\n0.625711 0.221816 0.623937 S\n0.374286 0.778185 0.376064 S\n0.125712 0.278185 0.123937 S\n0.874285 0.721816 0.876064 S\n0.600776 0.908529 0.648875 N\n0.399222 0.091471 0.351125 N\n0.100777 0.591472 0.148875 N\n0.899221 0.408529 0.851125 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.341816667133204,
"density_atomic": 0.06122087792924433,
"volume": 130.67437564756835,
"volume_molar": 9.836743548434661,
"formula_full": "S4 N4",
"formula_reduced": "SN",
"formula_anonymous": "AB",
"energy_above_hull": 2.782626625,
"spacegroup": 62
},
{
"id": "jvasp-48163",
"created_at": "2022-09-04T14:37:06.710594Z",
"updated_at": "2022-09-04T14:37:06.710620Z",
"structure_string": "Li3 Fe3 Co1 O8\n1.0\n-4.866160 0.000024 -0.021238\n-0.000051 -5.636979 -0.000819\n1.598479 2.818040 4.755136\nLi Fe Co O\n3 3 1 8\ndirect\n0.498618 0.748061 0.996112 Li\n0.998135 0.013993 0.000272 Li\n0.998146 0.486284 0.000286 Li\n0.495285 0.243189 0.498977 Fe\n0.495286 0.755785 0.498976 Fe\n0.013246 0.001816 0.503637 Fe\n0.993230 0.499195 0.498393 Co\n0.765293 0.136463 0.289355 O\n0.765294 0.652876 0.289355 O\n0.256152 0.881648 0.263313 O\n0.257762 0.395883 0.291782 O\n0.728369 0.607182 0.714352 O\n0.751379 0.108541 0.717071 O\n0.236008 0.364619 0.716421 O\n0.236009 0.851813 0.716421 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.785102587597729,
"density_atomic": 0.11517828141696479,
"volume": 130.2328860568554,
"volume_molar": 5.228538476102831,
"formula_full": "Li3 Fe3 Co1 O8",
"formula_reduced": "Li3Fe3CoO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.78220036,
"spacegroup": 8
},
{
"id": "jvasp-99548",
"created_at": "2022-09-04T14:36:45.299444Z",
"updated_at": "2022-09-04T14:36:45.299457Z",
"structure_string": "Sc6 Mn1 Te2\n1.0\n7.664319 -0.000000 0.000000\n-3.832159 6.637495 0.000000\n-0.000000 -0.000000 3.842149\nSc Mn Te\n6 1 2\ndirect\n0.230731 0.000000 0.500000 Sc\n0.000000 0.230731 0.500000 Sc\n0.769270 0.769270 0.500000 Sc\n0.616679 0.000000 -0.000000 Sc\n0.000000 0.616680 -0.000000 Sc\n0.383321 0.383321 -0.000000 Sc\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.500000 Te\n0.666667 0.333334 0.500000 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Te"
],
"chemical_system": "Mn-Sc-Te",
"density": 4.926408149622834,
"density_atomic": 0.04604585347125462,
"volume": 195.45733918513412,
"volume_molar": 13.078573434977125,
"formula_full": "Sc6 Mn1 Te2",
"formula_reduced": "Sc6MnTe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.781984919412516,
"spacegroup": 189
},
{
"id": "jvasp-59875",
"created_at": "2022-09-04T14:38:36.629106Z",
"updated_at": "2022-09-04T14:38:36.629137Z",
"structure_string": "Li2 Cr4 S8\n1.0\n6.222700 -0.000000 -3.266997\n-1.715214 5.981642 -3.266997\n-0.287595 -0.381654 7.011948\nLi Cr S\n2 4 8\ndirect\n0.375001 0.625001 0.750000 Li\n0.624999 0.375000 0.250000 Li\n0.000000 0.500001 0.000001 Cr\n0.000001 0.000000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.760022 0.780071 0.520045 S\n0.760026 0.239980 0.979957 S\n0.219930 0.239980 0.979956 S\n0.239978 0.219930 0.479956 S\n0.239978 0.760025 0.479955 S\n0.239974 0.760021 0.020045 S\n0.760021 0.239974 0.520044 S\n0.780070 0.760021 0.020044 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 3.2360139588788495,
"density_atomic": 0.057030936071340986,
"volume": 245.4808033044935,
"volume_molar": 10.559428224125234,
"formula_full": "Li2 Cr4 S8",
"formula_reduced": "Li(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7819306857142863,
"spacegroup": 227
},
{
"id": "jvasp-19004",
"created_at": "2022-09-04T14:38:09.974053Z",
"updated_at": "2022-09-04T14:38:09.974084Z",
"structure_string": "S16 N8\n1.0\n11.176584 0.000000 0.000000\n-0.000000 11.176584 0.000000\n0.000000 0.000000 3.767804\nS N\n16 8\ndirect\n0.150087 0.357504 0.329337 S\n0.111900 0.111900 0.096390 S\n0.611900 0.388100 0.596389 S\n0.388100 0.611900 0.596389 S\n0.888099 0.888099 0.096390 S\n0.825458 0.174542 0.658222 S\n0.174542 0.825458 0.658222 S\n0.674542 0.674542 0.158223 S\n0.325458 0.325458 0.158223 S\n0.642495 0.849913 0.329337 S\n0.349913 0.857504 0.829337 S\n0.650087 0.142496 0.829337 S\n0.849913 0.642495 0.329337 S\n0.142496 0.650087 0.829337 S\n0.857504 0.349913 0.829337 S\n0.357504 0.150087 0.329337 S\n0.745359 0.427513 0.659005 N\n0.245359 0.072487 0.159006 N\n0.754640 0.927513 0.159006 N\n0.427513 0.745359 0.659005 N\n0.572487 0.254641 0.659005 N\n0.927513 0.754640 0.159006 N\n0.254641 0.572487 0.659005 N\n0.072487 0.245359 0.159006 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.2054015427449585,
"density_atomic": 0.050992319335169047,
"volume": 470.6591171554609,
"volume_molar": 11.809897722864651,
"formula_full": "S16 N8",
"formula_reduced": "S2N",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7819277499999995,
"spacegroup": 102
},
{
"id": "jvasp-112839",
"created_at": "2022-09-04T14:38:44.262483Z",
"updated_at": "2022-09-04T14:38:44.262499Z",
"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.015043 -0.010976 -2.755432\n-1.641579 4.749159 -2.896324\n-0.035400 -0.093582 5.798517\nLi Mn Ni O\n3 3 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Ni\n0.726654 0.750570 0.976135 O\n0.242506 0.748923 0.966123 O\n0.242496 0.276431 0.493617 O\n0.742166 0.261970 0.480262 O\n0.257833 0.738030 0.519739 O\n0.757503 0.723569 0.506385 O\n0.757493 0.251077 0.033878 O\n0.273345 0.249430 0.023866 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.554304214338812,
"density_atomic": 0.1104946226135333,
"volume": 135.75321264695475,
"volume_molar": 5.450166367881158,
"formula_full": "Li3 Mn3 Ni1 O8",
"formula_reduced": "Li3Mn3NiO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.7816414749425293,
"spacegroup": 12
},
{
"id": "jvasp-86536",
"created_at": "2022-09-04T14:35:53.389634Z",
"updated_at": "2022-09-04T14:35:53.389649Z",
"structure_string": "Cr1 Fe1 Bi2 O6\n1.0\n4.740694 -0.013017 2.674547\n1.555588 4.478173 2.674644\n-0.018582 -0.013224 5.443148\nCr Fe Bi O\n1 1 2 6\ndirect\n0.228519 0.228520 0.228519 Cr\n0.726441 0.726440 0.726441 Fe\n0.495614 0.495616 0.495617 Bi\n-0.003742 -0.003739 -0.003741 Bi\n0.409666 0.545431 0.951361 O\n0.951366 0.409664 0.545433 O\n0.904163 0.455941 0.040601 O\n0.040599 0.904164 0.455944 O\n0.545434 0.951363 0.409662 O\n0.455940 0.040598 0.904166 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Fe-O",
"density": 8.900869093512304,
"density_atomic": 0.08620526396741274,
"volume": 116.00219684705327,
"volume_molar": 6.985815578821829,
"formula_full": "Cr1 Fe1 Bi2 O6",
"formula_reduced": "CrFe(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.78158625,
"spacegroup": 146
},
{
"id": "jvasp-85937",
"created_at": "2022-09-04T14:35:52.198444Z",
"updated_at": "2022-09-04T14:35:52.198463Z",
"structure_string": "Cr1 Fe1 Bi2 O6\n1.0\n4.740678 -0.013036 2.674457\n1.555575 4.478135 2.674538\n-0.018626 -0.013276 5.443043\nCr Fe Bi O\n1 1 2 6\ndirect\n0.228519 0.228520 0.228518 Cr\n0.726444 0.726441 0.726445 Fe\n0.495614 0.495614 0.495618 Bi\n-0.003751 -0.003747 -0.003751 Bi\n0.409656 0.545434 0.951368 O\n0.951367 0.409657 0.545439 O\n0.904161 0.455941 0.040607 O\n0.040604 0.904161 0.455945 O\n0.545439 0.951362 0.409659 O\n0.455943 0.040604 0.904160 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Fe-O",
"density": 8.901059672565266,
"density_atomic": 0.08620710973296604,
"volume": 115.99971314403027,
"volume_molar": 6.9856660067297245,
"formula_full": "Cr1 Fe1 Bi2 O6",
"formula_reduced": "CrFe(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.78158625,
"spacegroup": 146
},
{
"id": "jvasp-44991",
"created_at": "2022-09-04T14:36:06.585111Z",
"updated_at": "2022-09-04T14:36:06.585135Z",
"structure_string": "Fe1 Sb4 O12\n1.0\n5.004073 -0.054203 0.028996\n-0.050598 5.485957 0.070924\n0.043494 0.715435 7.465295\nFe Sb O\n1 4 12\ndirect\n-0.000875 0.392185 0.707494 Fe\n0.998739 0.007031 0.030032 Sb\n0.506042 0.540959 0.490325 Sb\n0.011627 0.004738 0.499524 Sb\n0.490479 0.533600 0.017293 Sb\n0.318995 0.207177 0.082861 O\n0.157493 0.362072 0.472887 O\n0.832216 0.352325 0.927898 O\n0.327659 0.537345 0.751960 O\n0.655983 0.511830 0.257548 O\n0.827405 0.690807 0.605565 O\n0.120341 0.075986 0.757928 O\n0.677376 0.847765 0.936319 O\n0.839448 0.016954 0.271262 O\n0.713759 0.236556 0.597847 O\n0.169580 0.695399 0.090385 O\n0.353719 0.868686 0.443578 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 5.96266401355164,
"density_atomic": 0.08306633213198993,
"volume": 204.65571987682696,
"volume_molar": 7.249797367278717,
"formula_full": "Fe1 Sb4 O12",
"formula_reduced": "Fe(SbO3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.781498347058823,
"spacegroup": 1
}
]
}