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=-created_at&page=4490",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4488",
"results": [
{
"id": "jvasp-65363",
"created_at": "2022-09-04T14:35:45.821067Z",
"updated_at": "2022-09-04T14:35:45.821078Z",
"structure_string": "Ba1 Ca2 W1\n1.0\n3.280069 0.000000 -0.000000\n-0.000000 3.280069 0.000000\n-0.000000 -0.000000 11.491153\nBa Ca W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.812807 Ca\n0.000000 0.000000 0.187192 Ca\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"W"
],
"chemical_system": "Ba-Ca-W",
"density": 5.390307996270043,
"density_atomic": 0.03235418204738792,
"volume": 123.63162184540332,
"volume_molar": 18.613175728502743,
"formula_full": "Ba1 Ca2 W1",
"formula_reduced": "BaCa2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8859542025,
"spacegroup": 123
},
{
"id": "jvasp-38346",
"created_at": "2022-09-04T14:35:45.820346Z",
"updated_at": "2022-09-04T14:35:45.820368Z",
"structure_string": "Rb1 Al1 O3\n1.0\n3.927022 0.000000 -0.000000\n-0.000000 3.927022 0.000000\n-0.000000 0.000000 3.927022\nRb Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Al",
"O"
],
"chemical_system": "Al-O-Rb",
"density": 4.399386863185867,
"density_atomic": 0.0825619613367999,
"volume": 60.560576796416015,
"volume_molar": 7.294086359496143,
"formula_full": "Rb1 Al1 O3",
"formula_reduced": "RbAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.33828266,
"spacegroup": 221
},
{
"id": "jvasp-22600",
"created_at": "2022-09-04T14:35:45.815798Z",
"updated_at": "2022-09-04T14:35:45.815828Z",
"structure_string": "Rb2 S2\n1.0\n4.502636 -0.000000 2.036263\n1.727045 5.371406 2.177417\n-0.023263 0.009274 6.047744\nRb S\n2 2\ndirect\n0.726938 0.773064 0.773063 Rb\n0.273065 0.226936 0.226936 Rb\n0.000001 0.156536 0.843463 S\n0.000001 0.843464 0.156536 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 2.665066171651393,
"density_atomic": 0.027310510131546843,
"volume": 146.46375994930725,
"volume_molar": 22.050634466339467,
"formula_full": "Rb2 S2",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0881775,
"spacegroup": 71
},
{
"id": "jvasp-61148",
"created_at": "2022-09-04T14:35:45.813512Z",
"updated_at": "2022-09-04T14:35:45.813532Z",
"structure_string": "K1 Au5\n1.0\n2.887488 -5.001276 0.000000\n2.887488 5.001276 -0.000000\n-0.000000 -0.000000 4.536065\nK Au\n1 5\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.000000 Au\n0.666667 0.333333 0.000000 Au\n0.500000 -0.000000 0.500001 Au\n-0.000000 0.500000 0.500001 Au\n0.500000 0.500000 0.500001 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Au"
],
"chemical_system": "Au-K",
"density": 12.978053961813774,
"density_atomic": 0.045797416061171076,
"volume": 131.01175821766603,
"volume_molar": 13.149520820031192,
"formula_full": "K1 Au5",
"formula_reduced": "KAu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1833326416666666,
"spacegroup": 191
},
{
"id": "jvasp-88729",
"created_at": "2022-09-04T14:35:45.809659Z",
"updated_at": "2022-09-04T14:35:45.809683Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.549103 -0.004429 -0.405882\n-2.279458 5.801389 -0.759527\n-0.017837 0.115704 8.311837\nCa H Cl O\n2 16 4 8\ndirect\n0.881626 0.004039 0.744583 Ca\n0.118372 0.995961 0.255417 Ca\n0.204282 0.754530 0.533171 H\n0.795716 0.245469 0.466829 H\n0.391632 0.761743 0.418199 H\n0.554393 0.242319 0.169737 H\n0.445605 0.757681 0.830263 H\n0.549856 0.408353 0.324359 H\n0.450142 0.591647 0.675641 H\n0.608367 0.238256 0.581801 H\n0.096089 0.684197 0.818929 H\n0.081177 0.460426 0.331652 H\n0.918821 0.539573 0.668348 H\n0.788809 0.647198 -0.001444 H\n0.211191 0.352802 0.001443 H\n0.672773 0.810383 0.067122 H\n0.327226 0.189616 0.932878 H\n0.903909 0.315803 0.181071 H\n0.738348 0.764965 0.407003 Cl\n0.261651 0.235034 0.592997 Cl\n0.291635 0.718513 0.048317 Cl\n0.708364 0.281487 0.951683 Cl\n0.765795 0.260109 0.582196 O\n0.186012 0.187243 0.969456 O\n0.813986 0.812757 0.030544 O\n0.019239 0.698837 0.716553 O\n0.980759 0.301162 0.283447 O\n0.514848 0.754164 0.728269 O\n0.485151 0.245835 0.271731 O\n0.234204 0.739890 0.417804 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.9215939871970127,
"density_atomic": 0.09482997535090627,
"volume": 316.3556659061527,
"volume_molar": 6.3504611677012806,
"formula_full": "Ca2 H16 Cl4 O8",
"formula_reduced": "CaH8(ClO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.394372837,
"spacegroup": 2
},
{
"id": "jvasp-15355",
"created_at": "2022-09-04T14:35:45.809640Z",
"updated_at": "2022-09-04T14:35:45.809659Z",
"structure_string": "Nd1 Ni2 Ge2\n1.0\n3.872199 -0.000000 -1.493688\n-0.576185 3.829090 -1.493688\n-0.009312 -0.010818 5.741799\nNd Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Ni\n0.249999 0.750000 0.500000 Ni\n0.632223 0.632223 0.264446 Ge\n0.367777 0.367776 0.735553 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Ge"
],
"chemical_system": "Ge-Nd-Ni",
"density": 7.948474777163127,
"density_atomic": 0.05881764409116704,
"volume": 85.00850513920663,
"volume_molar": 10.238663674909715,
"formula_full": "Nd1 Ni2 Ge2",
"formula_reduced": "Nd(NiGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9931596399999998,
"spacegroup": 139
},
{
"id": "jvasp-63631",
"created_at": "2022-09-04T14:35:45.802899Z",
"updated_at": "2022-09-04T14:35:45.802923Z",
"structure_string": "Rb2 Au3\n1.0\n-2.519072 2.780331 5.231746\n2.519072 -2.780331 5.231746\n2.519072 2.780331 -5.231746\nRb Au\n2 3\ndirect\n0.303026 0.803026 0.500000 Rb\n0.696974 0.196974 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.746739 0.500000 0.246738 Au\n0.253262 0.500000 0.753261 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Rb",
"Au"
],
"chemical_system": "Au-Rb",
"density": 8.631106363224115,
"density_atomic": 0.03411349997449625,
"volume": 146.5695400277917,
"volume_molar": 17.653248023516316,
"formula_full": "Rb2 Au3",
"formula_reduced": "Rb2Au3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0966035139999999,
"spacegroup": 71
},
{
"id": "jvasp-93447",
"created_at": "2022-09-04T14:35:45.801853Z",
"updated_at": "2022-09-04T14:35:45.801887Z",
"structure_string": "Mg2 Mn2 Ge2\n1.0\n3.873314 -0.000067 -0.000217\n-0.000068 3.873430 0.000021\n-0.000368 -0.000016 6.477821\nMg Mn Ge\n2 2 2\ndirect\n0.249931 0.250007 0.169233 Mg\n0.750066 0.749993 0.830763 Mg\n0.750012 0.249999 0.499994 Mn\n0.249985 0.749995 0.500006 Mn\n0.749961 0.750006 0.259719 Ge\n0.250037 0.249993 0.740282 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mg-Mn",
"density": 5.19016338461279,
"density_atomic": 0.06173676820938955,
"volume": 97.18681709496188,
"volume_molar": 9.754544876037247,
"formula_full": "Mg2 Mn2 Ge2",
"formula_reduced": "MgMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.17542408045977,
"spacegroup": 129
},
{
"id": "jvasp-67937",
"created_at": "2022-09-04T14:35:45.800985Z",
"updated_at": "2022-09-04T14:35:45.801009Z",
"structure_string": "Hf1 Be1 Nb2\n1.0\n-2.041302 2.041302 4.123313\n2.041302 -2.041302 4.123313\n2.041302 2.041302 -4.123313\nHf Be Nb\n1 1 2\ndirect\n0.749999 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.749999 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Nb"
],
"chemical_system": "Be-Hf-Nb",
"density": 9.019940104808523,
"density_atomic": 0.05820216965941609,
"volume": 68.72596027617108,
"volume_molar": 10.346935166231768,
"formula_full": "Hf1 Be1 Nb2",
"formula_reduced": "HfBeNb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.606771974999999,
"spacegroup": 119
},
{
"id": "jvasp-88347",
"created_at": "2022-09-04T14:35:45.797727Z",
"updated_at": "2022-09-04T14:35:45.797752Z",
"structure_string": "P6 H24 N6 O19\n1.0\n7.642362 4.412319 2.526053\n-7.642362 4.412319 2.526053\n-0.000000 -8.824641 2.526053\nP H N O\n6 24 6 19\ndirect\n0.220224 0.122643 0.866063 P\n0.122643 0.866063 0.220224 P\n0.866063 0.220225 0.122643 P\n0.779774 0.877356 0.133935 P\n0.877355 0.133936 0.779774 P\n0.133936 0.779774 0.877355 P\n0.634719 0.518132 0.217830 H\n0.481867 0.782169 0.365280 H\n0.782169 0.365280 0.481867 H\n0.365280 0.481867 0.782169 H\n0.352507 0.538699 0.153872 H\n0.153872 0.352506 0.538699 H\n0.217830 0.634719 0.518132 H\n0.846127 0.647492 0.461299 H\n0.647492 0.461299 0.846127 H\n0.538699 0.153872 0.352506 H\n0.518132 0.217830 0.634718 H\n0.461299 0.846127 0.647492 H\n0.774870 0.380080 0.801876 H\n0.801876 0.774870 0.380080 H\n0.619919 0.198123 0.225129 H\n0.225129 0.619919 0.198123 H\n0.198123 0.225129 0.619919 H\n0.354224 0.711525 0.125003 H\n0.125003 0.354224 0.711525 H\n0.711525 0.125003 0.354224 H\n0.645775 0.288473 0.874995 H\n0.380080 0.801876 0.774869 H\n0.874996 0.645775 0.288473 H\n0.288473 0.874995 0.645775 H\n0.211782 0.354890 0.663433 N\n0.663433 0.211782 0.354890 N\n0.354890 0.663433 0.211782 N\n0.645108 0.336566 0.788216 N\n0.336566 0.788216 0.645108 N\n0.788217 0.645108 0.336565 N\n0.953914 0.303117 0.768848 O\n0.966326 0.240719 0.014204 O\n0.014204 0.966326 0.240719 O\n0.759279 0.985794 0.033672 O\n0.033673 0.759279 0.985794 O\n0.985794 0.033673 0.759279 O\n0.303117 0.768848 0.953914 O\n0.768848 0.953914 0.303117 O\n0.363727 0.346288 0.038599 O\n0.046085 0.696881 0.231151 O\n0.231151 0.046085 0.696881 O\n0.961400 0.636272 0.653711 O\n0.653711 0.961400 0.636272 O\n0.636272 0.653711 0.961399 O\n0.038599 0.363727 0.346287 O\n0.346288 0.038599 0.363727 O\n0.240719 0.014204 0.966326 O\n0.696881 0.231151 0.046085 O\n0.499999 0.499999 0.499999 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P",
"density": 1.9431527478081232,
"density_atomic": 0.10761538745186144,
"volume": 511.0793289166256,
"volume_molar": 5.5959848332041044,
"formula_full": "P6 H24 N6 O19",
"formula_reduced": "P6H24N6O19",
"formula_anonymous": "A6B6C19D24",
"energy_above_hull": 3.692689254545454,
"spacegroup": 148
},
{
"id": "jvasp-71896",
"created_at": "2022-09-04T14:35:45.797621Z",
"updated_at": "2022-09-04T14:35:45.797652Z",
"structure_string": "Ti1 Be1 Ga2\n1.0\n-1.842412 1.842412 4.229602\n1.842412 -1.842412 4.229602\n1.842412 1.842412 -4.229602\nTi Be Ga\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.250000 0.749999 0.499999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Ti",
"density": 5.676649826552531,
"density_atomic": 0.06965094128891267,
"volume": 57.4292310481199,
"volume_molar": 8.64617282775851,
"formula_full": "Ti1 Be1 Ga2",
"formula_reduced": "TiBeGa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1615422708333334,
"spacegroup": 119
},
{
"id": "jvasp-66373",
"created_at": "2022-09-04T14:35:45.795463Z",
"updated_at": "2022-09-04T14:35:45.795503Z",
"structure_string": "Ba1 Cr1 In1\n1.0\n0.000000 3.888962 3.888962\n3.888962 0.000000 3.888962\n3.888962 3.888962 0.000000\nBa Cr In\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"In"
],
"chemical_system": "Ba-Cr-In",
"density": 4.293318575160977,
"density_atomic": 0.02550293478527924,
"volume": 117.63352042650617,
"volume_molar": 23.613520603425183,
"formula_full": "Ba1 Cr1 In1",
"formula_reduced": "BaCrIn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4977844466666663,
"spacegroup": 216
}
]
}