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=3670",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3668",
"results": [
{
"id": "jvasp-24612",
"created_at": "2022-09-04T14:37:14.973403Z",
"updated_at": "2022-09-04T14:37:14.973430Z",
"structure_string": "N2 Cl2 O12\n1.0\n5.437975 -0.044540 1.742357\n0.931225 5.357832 1.742357\n0.067808 0.056566 7.169556\nN Cl O\n2 2 12\ndirect\n0.834724 0.165276 0.750001 N\n0.165275 0.834724 0.250001 N\n0.679485 0.320514 0.250001 Cl\n0.320514 0.679486 0.750001 Cl\n0.301702 0.971837 0.202795 O\n0.028162 0.698297 0.297207 O\n0.250270 0.856599 0.875660 O\n0.143401 0.749729 0.624342 O\n0.749728 0.143401 0.124342 O\n0.856598 0.250271 0.375660 O\n0.572231 0.694744 0.621110 O\n0.305255 0.427769 0.878892 O\n0.427768 0.305256 0.378892 O\n0.694743 0.572231 0.121110 O\n0.971837 0.301703 0.702795 O\n0.698297 0.028163 0.797207 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.3212812268298473,
"density_atomic": 0.07688413093075203,
"volume": 208.10536330846836,
"volume_molar": 7.832748692215848,
"formula_full": "N2 Cl2 O12",
"formula_reduced": "NClO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8854572896875004,
"spacegroup": 15
},
{
"id": "jvasp-30059",
"created_at": "2022-09-04T14:38:10.017199Z",
"updated_at": "2022-09-04T14:38:10.017232Z",
"structure_string": "Cr4 P4 O16\n1.0\n4.716211 -0.029710 0.717254\n1.061227 4.595359 -0.717254\n0.613197 -0.775949 12.632070\nCr P O\n4 4 16\ndirect\n0.250056 0.750071 0.250008 Cr\n0.749945 0.249929 0.749991 Cr\n0.750071 0.250055 0.249992 Cr\n0.249930 0.749945 0.750008 Cr\n0.746403 0.753714 0.100122 P\n0.253598 0.246286 0.899878 P\n0.753715 0.746403 0.399878 P\n0.246286 0.253597 0.600122 P\n0.857332 0.009608 0.355009 O\n0.142669 -0.009608 0.644991 O\n-0.009607 0.142668 0.855009 O\n0.509467 0.357287 0.644987 O\n0.642713 0.490533 0.144987 O\n0.731361 0.768789 0.518481 O\n0.513040 0.986836 0.808813 O\n0.768790 0.731361 0.981519 O\n0.013165 0.486961 0.308813 O\n0.009608 0.857332 0.144991 O\n0.231211 0.268639 0.018481 O\n0.357288 0.509467 0.855013 O\n0.490534 0.642713 0.355013 O\n0.986836 0.513039 0.691187 O\n0.268640 0.231211 0.481519 O\n0.486961 0.013164 0.191187 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.629658853790236,
"density_atomic": 0.08923737093258981,
"volume": 268.9456194101648,
"volume_molar": 6.748451570305836,
"formula_full": "Cr4 P4 O16",
"formula_reduced": "CrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.885641150000001,
"spacegroup": 12
},
{
"id": "jvasp-29480",
"created_at": "2022-09-04T14:38:30.355137Z",
"updated_at": "2022-09-04T14:38:30.355150Z",
"structure_string": "Nb4 P8 S32\n1.0\n9.430791 -0.000000 -0.000000\n-0.000000 10.116862 -5.801337\n0.000000 0.018080 11.753517\nNb P S\n4 8 32\ndirect\n0.500000 0.570703 0.141406 Nb\n0.500000 0.429297 0.858594 Nb\n0.000000 0.070703 0.141406 Nb\n0.000000 0.929297 0.858594 Nb\n0.516828 0.124967 0.622485 P\n0.983172 0.624967 0.622485 P\n0.016828 0.997516 0.622485 P\n0.483172 0.497517 0.622485 P\n0.516828 0.502483 0.377515 P\n0.016828 0.375032 0.377515 P\n0.483172 0.875032 0.377515 P\n0.983172 0.002483 0.377515 P\n0.880319 0.077171 0.774260 S\n0.829077 0.091502 0.332913 S\n0.778502 0.013741 -0.000000 S\n0.370951 0.643774 -0.000000 S\n0.577850 0.364139 0.435225 S\n0.619681 0.802912 0.225740 S\n0.170923 0.241410 0.332913 S\n0.880319 0.302912 0.225740 S\n0.922150 0.864139 0.435225 S\n0.870951 0.856226 -0.000000 S\n0.670923 0.258590 0.667087 S\n0.129049 0.143774 -0.000000 S\n0.329077 0.408498 0.667087 S\n0.221498 0.986259 -0.000000 S\n0.380319 0.197088 0.774260 S\n0.119681 0.922829 0.225740 S\n0.278502 0.486259 -0.000000 S\n0.077850 0.135861 0.564775 S\n0.577850 0.928914 0.564775 S\n0.629049 0.356226 -0.000000 S\n0.077850 0.571086 0.435225 S\n0.422150 0.071086 0.435225 S\n0.721498 0.513741 -0.000000 S\n0.170923 0.908498 0.667087 S\n0.829077 0.758590 0.667087 S\n0.329077 0.741410 0.332912 S\n0.670923 0.591502 0.332912 S\n0.380319 0.422829 0.225740 S\n0.619681 0.577171 0.774260 S\n0.422150 0.635861 0.564775 S\n0.119681 0.697088 0.774260 S\n0.922150 0.428914 0.564775 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Nb",
"P",
"S"
],
"chemical_system": "Nb-P-S",
"density": 2.434451478317852,
"density_atomic": 0.039201977257593,
"volume": 1122.3923658462322,
"volume_molar": 15.361829125171424,
"formula_full": "Nb4 P8 S32",
"formula_reduced": "Nb(PS4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.886027309090909,
"spacegroup": 64
},
{
"id": "jvasp-115507",
"created_at": "2022-09-04T14:38:46.596908Z",
"updated_at": "2022-09-04T14:38:46.596933Z",
"structure_string": "Sc1 B1 O1\n1.0\n3.968635 -0.000000 0.000000\n-1.984317 3.436938 0.000000\n0.000000 -0.000000 3.100311\nSc B O\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Sc\n0.000000 0.000000 0.000000 B\n0.333333 0.666668 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"B",
"O"
],
"chemical_system": "B-O-Sc",
"density": 2.8180689128388217,
"density_atomic": 0.07094195255718437,
"volume": 42.288094588061725,
"volume_molar": 8.488828602716731,
"formula_full": "Sc1 B1 O1",
"formula_reduced": "ScBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8860871111111117,
"spacegroup": 187
},
{
"id": "jvasp-36580",
"created_at": "2022-09-04T14:37:51.026662Z",
"updated_at": "2022-09-04T14:37:51.026680Z",
"structure_string": "Ti4 Zn4 N8\n1.0\n5.246575 0.000000 0.000000\n0.000000 5.688592 0.000000\n0.000000 0.000000 6.566827\nTi Zn N\n4 4 8\ndirect\n0.996472 0.083124 0.625681 Ti\n0.496472 0.916875 0.374320 Ti\n0.996472 0.583124 0.874320 Ti\n0.496472 0.416876 0.125680 Ti\n0.997815 0.087391 0.123934 Zn\n0.497815 0.912609 0.876067 Zn\n0.997815 0.587391 0.376067 Zn\n0.497815 0.412609 0.623934 Zn\n0.391067 0.089947 0.135177 N\n0.891068 0.910053 0.864823 N\n0.391067 0.589946 0.364823 N\n0.891068 0.410053 0.635177 N\n0.365647 0.070254 0.614539 N\n0.865647 0.929746 0.385462 N\n0.365647 0.570254 0.885462 N\n0.865647 0.429746 0.114538 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"N"
],
"chemical_system": "N-Ti-Zn",
"density": 4.788311802551409,
"density_atomic": 0.08163637948126039,
"volume": 195.99105327389975,
"volume_molar": 7.376785690725519,
"formula_full": "Ti4 Zn4 N8",
"formula_reduced": "TiZnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.886171308333333,
"spacegroup": 33
},
{
"id": "jvasp-119261",
"created_at": "2022-09-04T14:38:26.705525Z",
"updated_at": "2022-09-04T14:38:26.705539Z",
"structure_string": "Al2 V4 O8\n1.0\n5.071856 -0.056717 2.910066\n1.748081 4.754033 2.897335\n0.029957 0.007777 5.847422\nAl V O\n2 4 8\ndirect\n0.624981 0.625015 0.625016 Al\n0.375008 0.374978 0.374995 Al\n0.999998 -0.000000 0.000008 V\n0.000001 0.000002 0.499990 V\n0.999991 0.500010 0.000000 V\n0.500017 0.999989 -0.000003 V\n0.251857 0.748106 0.751983 O\n0.248001 0.251936 0.748158 O\n0.251914 0.748152 0.251932 O\n0.251945 0.248017 0.251895 O\n0.752001 0.748060 0.251856 O\n0.748133 0.251906 0.248015 O\n0.748100 0.251842 0.748062 O\n0.748061 0.751982 0.748090 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 4.5401347178298055,
"density_atomic": 0.0992363321470904,
"volume": 141.077362464877,
"volume_molar": 6.068483820093071,
"formula_full": "Al2 V4 O8",
"formula_reduced": "AlV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.886187885714285,
"spacegroup": 227
},
{
"id": "jvasp-40022",
"created_at": "2022-09-04T14:37:42.942735Z",
"updated_at": "2022-09-04T14:37:42.942755Z",
"structure_string": "Ti1 Be2 Ir1\n1.0\n0.000000 2.839547 2.839547\n2.839547 -0.000000 2.839547\n2.839547 2.839547 0.000000\nTi Be Ir\n1 2 1\ndirect\n0.750002 0.750002 0.750002 Ti\n0.499999 0.499999 0.499999 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Ti",
"density": 9.359960056634279,
"density_atomic": 0.08735400296986646,
"volume": 45.79068919577544,
"volume_molar": 6.893949395859273,
"formula_full": "Ti1 Be2 Ir1",
"formula_reduced": "TiBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8862929083333326,
"spacegroup": 225
},
{
"id": "jvasp-76960",
"created_at": "2022-09-04T14:38:07.535319Z",
"updated_at": "2022-09-04T14:38:07.535336Z",
"structure_string": "Be2 Cr1 Pt1\n1.0\n-7.863014 -0.000000 -4.539713\n-5.102031 -1.078547 -0.242450\n-3.813249 2.566677 -2.474685\nBe Cr Pt\n2 1 1\ndirect\n0.745146 0.000000 0.000000 Be\n0.254854 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Pt"
],
"chemical_system": "Be-Cr-Pt",
"density": 8.426875614665507,
"density_atomic": 0.07657031552069915,
"volume": 52.23956533023147,
"volume_molar": 7.864850391496746,
"formula_full": "Be2 Cr1 Pt1",
"formula_reduced": "Be2CrPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.88655775,
"spacegroup": 71
},
{
"id": "jvasp-114879",
"created_at": "2022-09-04T14:38:43.612498Z",
"updated_at": "2022-09-04T14:38:43.612518Z",
"structure_string": "Al1 B1 H2\n1.0\n2.809925 0.000000 0.000000\n0.000000 2.809925 -0.000000\n-0.000000 -0.000000 5.446750\nAl B H\n1 1 2\ndirect\n0.499999 0.499999 0.669642 Al\n0.000000 0.000000 0.870769 B\n0.000000 0.000000 0.088793 H\n0.499999 0.499999 0.380796 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"B",
"H"
],
"chemical_system": "Al-B-H",
"density": 1.5370823098246253,
"density_atomic": 0.09301073851417632,
"volume": 43.00578690051296,
"volume_molar": 6.474672555236329,
"formula_full": "Al1 B1 H2",
"formula_reduced": "AlBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8866938458333333,
"spacegroup": 99
},
{
"id": "jvasp-75843",
"created_at": "2022-09-04T14:35:52.841365Z",
"updated_at": "2022-09-04T14:35:52.841392Z",
"structure_string": "Sc2 Mn1 As1\n1.0\n0.000000 3.151112 3.151112\n3.151112 0.000000 3.151112\n3.151112 3.151112 -0.000000\nSc Mn As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"As"
],
"chemical_system": "As-Mn-Sc",
"density": 5.831749948054419,
"density_atomic": 0.06392025177106676,
"volume": 62.577976293431675,
"volume_molar": 9.421334542874716,
"formula_full": "Sc2 Mn1 As1",
"formula_reduced": "Sc2MnAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8867048728448275,
"spacegroup": 216
},
{
"id": "jvasp-111368",
"created_at": "2022-09-04T14:38:26.101101Z",
"updated_at": "2022-09-04T14:38:26.101127Z",
"structure_string": "Hf2 Se3 S3\n1.0\n3.682396 -0.000000 0.000000\n0.000000 5.290769 0.652361\n0.000000 0.065755 9.351733\nHf Se S\n2 3 3\ndirect\n0.500001 0.714597 0.660235 Hf\n-0.000000 0.285229 0.337056 Hf\n-0.000000 0.460056 0.843029 Se\n0.500001 0.237714 0.554165 Se\n-0.000000 0.761413 0.442418 Se\n0.500001 0.127652 0.171542 S\n-0.000000 0.890442 0.815648 S\n0.500001 0.522903 0.175905 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Se",
"S"
],
"chemical_system": "Hf-S-Se",
"density": 6.294599464112671,
"density_atomic": 0.04394660021454164,
"volume": 182.039110214329,
"volume_molar": 13.70331431919804,
"formula_full": "Hf2 Se3 S3",
"formula_reduced": "Hf2(SeS)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.8867395125,
"spacegroup": 6
},
{
"id": "jvasp-109159",
"created_at": "2022-09-04T14:38:27.323511Z",
"updated_at": "2022-09-04T14:38:27.323532Z",
"structure_string": "Mn4 Cd1 S5\n1.0\n3.628135 0.008350 14.763276\n1.794531 3.153267 14.763276\n0.014322 0.008350 15.202549\nMn Cd S\n4 1 5\ndirect\n0.596157 0.596159 0.596160 Mn\n0.198701 0.198701 0.198702 Mn\n0.801297 0.801300 0.801301 Mn\n0.403840 0.403842 0.403842 Mn\n0.000000 0.000000 0.000000 Cd\n0.705384 0.705386 0.705387 S\n0.499999 0.500000 0.500001 S\n0.103117 0.103117 0.103118 S\n0.294614 0.294615 0.294615 S\n0.896880 0.896883 0.896885 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"S"
],
"chemical_system": "Cd-Mn-S",
"density": 4.732460531801271,
"density_atomic": 0.05786848219078181,
"volume": 172.8056382580042,
"volume_molar": 10.406598777113427,
"formula_full": "Mn4 Cd1 S5",
"formula_reduced": "Mn4CdS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.886916871551724,
"spacegroup": 166
}
]
}