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=nelements&page=3601",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3599",
"results": [
{
"id": "jvasp-10351",
"created_at": "2022-09-04T14:37:27.685268Z",
"updated_at": "2022-09-04T14:37:27.685298Z",
"structure_string": "Fe4 Cu3 O12\n1.0\n6.140783 -0.001605 0.000712\n-2.045605 5.790398 -0.004668\n-2.048105 -2.890601 5.015766\nFe Cu O\n4 3 12\ndirect\n0.500000 0.500001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.689931 0.873954 0.184019 O\n0.815967 0.689920 0.505885 O\n0.126043 0.815980 0.310058 O\n0.689921 0.505894 0.815970 O\n0.505890 0.815970 0.689924 O\n0.184033 0.310081 0.494115 O\n0.310069 0.126047 0.815981 O\n0.494110 0.184031 0.310077 O\n0.815982 0.310074 0.126048 O\n0.184018 0.689927 0.873952 O\n0.873957 0.184021 0.689942 O\n0.310079 0.494107 0.184030 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 5.645093946054753,
"density_atomic": 0.10658480951295923,
"volume": 178.26180003342657,
"volume_molar": 5.65009290490667,
"formula_full": "Fe4 Cu3 O12",
"formula_reduced": "Fe4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.6883150184210525,
"spacegroup": 204
},
{
"id": "jvasp-52171",
"created_at": "2022-09-04T14:37:27.695438Z",
"updated_at": "2022-09-04T14:37:27.695466Z",
"structure_string": "Nd1 O1 F1\n1.0\n3.987387 0.000000 0.000000\n1.993693 3.453179 0.000000\n1.993693 1.151060 3.255688\nNd O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 O\n0.749999 0.750000 0.750000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nd",
"O",
"F"
],
"chemical_system": "F-Nd-O",
"density": 6.6394682328458545,
"density_atomic": 0.06692232121949307,
"volume": 44.828092411208274,
"volume_molar": 8.998702750086135,
"formula_full": "Nd1 O1 F1",
"formula_reduced": "NdOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155133333333334,
"spacegroup": 216
},
{
"id": "jvasp-13775",
"created_at": "2022-09-04T14:37:27.697859Z",
"updated_at": "2022-09-04T14:37:27.697890Z",
"structure_string": "Sc4 Fe4 Si4\n1.0\n4.070571 -0.000000 0.000000\n0.000000 6.544054 0.000000\n0.000000 0.000000 6.627483\nSc Fe Si\n4 4 4\ndirect\n0.750000 0.515067 0.808849 Sc\n0.250000 0.984932 0.308850 Sc\n0.750000 0.015067 0.691150 Sc\n0.250000 0.484933 0.191150 Sc\n0.250000 0.653234 0.562018 Fe\n0.250000 0.153235 0.937981 Fe\n0.750000 0.846765 0.062018 Fe\n0.750000 0.346765 0.437981 Fe\n0.250000 0.799202 0.892016 Si\n0.250000 0.299202 0.607983 Si\n0.750000 0.200797 0.107983 Si\n0.750000 0.700797 0.392017 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Si"
],
"chemical_system": "Fe-Sc-Si",
"density": 4.849147466345899,
"density_atomic": 0.06797205733004041,
"volume": 176.54313362524294,
"volume_molar": 8.859730007522518,
"formula_full": "Sc4 Fe4 Si4",
"formula_reduced": "ScFeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.48166645,
"spacegroup": 62
},
{
"id": "jvasp-52179",
"created_at": "2022-09-04T14:37:27.718419Z",
"updated_at": "2022-09-04T14:37:27.718431Z",
"structure_string": "Be2 C4 N4\n1.0\n5.351236 -0.000000 0.000000\n-0.000000 5.351236 0.000000\n0.000000 0.000000 5.362360\nBe C N\n2 4 4\ndirect\n0.500000 0.500000 0.244217 Be\n0.000000 0.000000 0.744217 Be\n0.307337 0.307337 0.438747 C\n0.692664 0.692664 0.438747 C\n0.807337 0.192663 0.938747 C\n0.192663 0.807337 0.938747 C\n0.317750 0.682251 0.064144 N\n0.682251 0.317750 0.064144 N\n0.817750 0.817750 0.564144 N\n0.182251 0.182251 0.564144 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 1.320319737124762,
"density_atomic": 0.06512321369072153,
"volume": 153.55507557552792,
"volume_molar": 9.247302795282671,
"formula_full": "Be2 C4 N4",
"formula_reduced": "Be(CN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.11924252,
"spacegroup": 102
},
{
"id": "jvasp-36611",
"created_at": "2022-09-04T14:37:27.724109Z",
"updated_at": "2022-09-04T14:37:27.724130Z",
"structure_string": "Ca1 Ir1 O3\n1.0\n3.949014 -0.000000 -0.000000\n-0.000000 3.949014 -0.000000\n0.000000 -0.000000 3.949014\nCa Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 7.557804245019241,
"density_atomic": 0.08119026971713926,
"volume": 61.58373432456402,
"volume_molar": 7.417318332579361,
"formula_full": "Ca1 Ir1 O3",
"formula_reduced": "CaIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.116808404,
"spacegroup": 221
},
{
"id": "jvasp-57786",
"created_at": "2022-09-04T14:37:27.727414Z",
"updated_at": "2022-09-04T14:37:27.727434Z",
"structure_string": "Np1 Al8 Cu4\n1.0\n4.738462 -0.000000 1.928786\n2.369231 6.247757 0.964393\n0.013751 -0.000000 6.751117\nNp Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.344331 0.655669 0.655669 Al\n-0.000000 0.344332 0.655669 Al\n-0.000000 0.655669 0.344331 Al\n0.655668 0.344332 0.344332 Al\n0.283424 0.216576 0.216576 Al\n0.499999 0.783424 0.216576 Al\n0.499999 0.216576 0.783425 Al\n0.716575 0.783424 0.783424 Al\n0.500000 0.000000 0.500001 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.000000 0.500000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Np",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Np",
"density": 5.879140910596522,
"density_atomic": 0.06509781433849704,
"volume": 199.6994850303624,
"volume_molar": 9.250910835018118,
"formula_full": "Np1 Al8 Cu4",
"formula_reduced": "Np(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.772785707692308,
"spacegroup": 139
},
{
"id": "jvasp-11449",
"created_at": "2022-09-04T14:37:27.730272Z",
"updated_at": "2022-09-04T14:37:27.730302Z",
"structure_string": "Tl8 Ge2 S8\n1.0\n7.334358 0.000888 2.148429\n2.205015 8.168447 0.912033\n-0.019583 0.022622 8.509790\nTl Ge S\n8 2 8\ndirect\n0.496654 0.598657 0.372469 Tl\n0.593837 0.990481 0.246363 Tl\n0.093837 0.246363 0.990480 Tl\n0.564328 0.403690 0.984155 Tl\n0.064328 0.984155 0.403689 Tl\n0.580221 0.782787 0.792563 Tl\n0.080221 0.792563 0.782786 Tl\n-0.003346 0.372470 0.598657 Tl\n0.039370 0.621479 0.201585 Ge\n0.539370 0.201586 0.621478 Ge\n0.355285 0.044058 0.603287 S\n0.848336 0.723286 0.440884 S\n0.348336 0.440885 0.723286 S\n0.722534 0.251624 0.372702 S\n0.222534 0.372702 0.251624 S\n0.712742 0.083157 0.798372 S\n0.855285 0.603287 0.044058 S\n0.212741 0.798372 0.083157 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 6.63056187025168,
"density_atomic": 0.03528671219959163,
"volume": 510.10703117328995,
"volume_molar": 17.06631302439589,
"formula_full": "Tl8 Ge2 S8",
"formula_reduced": "Tl4GeS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.7126418166666666,
"spacegroup": 9
},
{
"id": "jvasp-18155",
"created_at": "2022-09-04T14:37:27.737083Z",
"updated_at": "2022-09-04T14:37:27.737110Z",
"structure_string": "Y1 Rh3 C1\n1.0\n4.174568 0.000000 -0.000000\n0.000000 4.174568 0.000000\n-0.000000 0.000000 4.174568\nY Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Rh",
"C"
],
"chemical_system": "C-Rh-Y",
"density": 9.349953853453552,
"density_atomic": 0.06872826573009687,
"volume": 72.75027162238497,
"volume_molar": 8.762247520764717,
"formula_full": "Y1 Rh3 C1",
"formula_reduced": "YRh3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.64744489,
"spacegroup": 221
},
{
"id": "jvasp-36608",
"created_at": "2022-09-04T14:37:27.745772Z",
"updated_at": "2022-09-04T14:37:27.745792Z",
"structure_string": "Ca1 V1 O3\n1.0\n3.796011 -0.000000 -0.000000\n-0.000000 3.796011 -0.000000\n0.000000 0.000000 3.796011\nCa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.220236698341506,
"density_atomic": 0.09140871790683146,
"volume": 54.69937785470595,
"volume_molar": 6.588147058509322,
"formula_full": "Ca1 V1 O3",
"formula_reduced": "CaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.781483024,
"spacegroup": 221
},
{
"id": "jvasp-36610",
"created_at": "2022-09-04T14:37:27.748172Z",
"updated_at": "2022-09-04T14:37:27.748200Z",
"structure_string": "Zr1 Hg1 O3\n1.0\n4.155974 -0.000000 0.000000\n0.000000 4.155974 -0.000000\n-0.000000 -0.000000 4.155974\nZr Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Hg",
"O"
],
"chemical_system": "Hg-O-Zr",
"density": 7.86085161886346,
"density_atomic": 0.06965487842789198,
"volume": 71.78248118222032,
"volume_molar": 8.64568411562764,
"formula_full": "Zr1 Hg1 O3",
"formula_reduced": "ZrHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7025159199999995,
"spacegroup": 221
},
{
"id": "jvasp-28668",
"created_at": "2022-09-04T14:37:27.760015Z",
"updated_at": "2022-09-04T14:37:27.760044Z",
"structure_string": "Mo2 W2 S8\n1.0\n3.192897 -0.000000 -0.000000\n-1.596448 2.765137 -0.008931\n0.000000 0.070392 25.008819\nMo W S\n2 2 8\ndirect\n0.333248 0.666497 0.000460 Mo\n0.666752 0.333504 0.750998 Mo\n0.333421 0.666844 0.500985 W\n0.666579 0.333157 0.250473 W\n0.333361 0.666721 0.313465 S\n0.333532 0.667066 0.813626 S\n0.666469 0.332935 -0.062168 S\n0.666640 0.333280 0.437993 S\n0.666704 0.333407 0.063087 S\n0.666881 0.333760 0.563976 S\n0.333120 0.666241 0.187482 S\n0.333297 0.666593 0.688371 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-W",
"density": 6.137381758180899,
"density_atomic": 0.05434787303949756,
"volume": 220.79980924513725,
"volume_molar": 11.080729425461382,
"formula_full": "Mo2 W2 S8",
"formula_reduced": "MoWS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.828075983333333,
"spacegroup": 164
},
{
"id": "jvasp-59710",
"created_at": "2022-09-04T14:37:27.762190Z",
"updated_at": "2022-09-04T14:37:27.762210Z",
"structure_string": "Yb4 Ni4 B16\n1.0\n3.389566 0.000000 0.000000\n0.000000 5.878918 -0.000000\n0.000000 -0.000000 11.406624\nYb Ni B\n4 4 16\ndirect\n0.000000 0.372322 0.650532 Yb\n0.000000 0.627678 0.349467 Yb\n0.000000 0.872322 0.849467 Yb\n0.000000 0.127678 0.150533 Yb\n0.000000 0.863423 0.588981 Ni\n0.000000 0.136578 0.411019 Ni\n0.000000 0.363423 0.911019 Ni\n0.000000 0.636578 0.088981 Ni\n0.500001 0.612406 0.952808 B\n0.500001 0.387594 0.047192 B\n0.500001 0.716946 0.683997 B\n0.500001 0.283055 0.316003 B\n0.500001 0.216945 0.816002 B\n0.500001 0.783055 0.183997 B\n0.500001 0.860369 0.032408 B\n0.500001 0.479824 0.190326 B\n0.500001 0.360369 0.467592 B\n0.500001 0.639631 0.532407 B\n0.500001 0.887594 0.452808 B\n0.500001 0.520176 0.809674 B\n0.500001 0.979824 0.309674 B\n0.500001 0.020176 0.690325 B\n0.500001 0.139631 0.967592 B\n0.500001 0.112406 0.547192 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"B"
],
"chemical_system": "B-Ni-Yb",
"density": 8.035399371222951,
"density_atomic": 0.1055875270324967,
"volume": 227.29957481259612,
"volume_molar": 5.703458475873352,
"formula_full": "Yb4 Ni4 B16",
"formula_reduced": "YbNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.283127238888889,
"spacegroup": 55
}
]
}