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=58",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=56",
"results": [
{
"id": "jvasp-120863",
"created_at": "2022-09-04T14:38:54.026972Z",
"updated_at": "2022-09-04T14:38:54.027002Z",
"structure_string": "Ba1 Hf1 Se1\n1.0\n3.472636 -0.000000 0.000000\n-0.000000 3.472636 0.000000\n-0.000000 0.000000 8.809514\nBa Hf Se\n1 1 1\ndirect\n0.000000 0.000000 0.342940 Ba\n0.000000 0.000000 0.726013 Hf\n0.000000 0.000000 -0.002541 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Se"
],
"chemical_system": "Ba-Hf-Se",
"density": 6.170643600561412,
"density_atomic": 0.02823909525267372,
"volume": 106.23569817506655,
"volume_molar": 21.325544271570863,
"formula_full": "Ba1 Hf1 Se1",
"formula_reduced": "BaHfSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0770874455555552,
"spacegroup": 99
},
{
"id": "jvasp-121353",
"created_at": "2022-09-04T14:38:54.026311Z",
"updated_at": "2022-09-04T14:38:54.026334Z",
"structure_string": "Cr8 Se6 N4\n1.0\n6.431853 -0.000000 0.000000\n0.000000 13.072720 0.000000\n-0.000000 -0.000000 3.353242\nCr Se N\n8 6 4\ndirect\n0.687284 0.938249 0.500000 Cr\n0.312715 0.061751 0.500000 Cr\n0.187285 0.561751 -0.000000 Cr\n0.812715 0.438249 -0.000000 Cr\n0.803779 0.642750 0.500000 Cr\n0.196221 0.357250 0.500000 Cr\n0.303779 0.857250 -0.000000 Cr\n0.696221 0.142750 -0.000000 Cr\n0.665512 0.782704 -0.000000 Se\n0.334487 0.217296 -0.000000 Se\n0.165512 0.717296 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.834487 0.282704 0.500000 Se\n0.114308 0.420911 -0.000000 N\n0.614308 0.079089 0.500000 N\n0.385692 0.920911 0.500000 N\n0.885691 0.579089 -0.000000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cr",
"Se",
"N"
],
"chemical_system": "Cr-N-Se",
"density": 5.570075123100397,
"density_atomic": 0.06384186105164852,
"volume": 281.9466679619172,
"volume_molar": 9.432902895998042,
"formula_full": "Cr8 Se6 N4",
"formula_reduced": "Cr4Se3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.387412911111111,
"spacegroup": 58
},
{
"id": "jvasp-123559",
"created_at": "2022-09-04T14:38:54.026273Z",
"updated_at": "2022-09-04T14:38:54.026299Z",
"structure_string": "P3 C1\n1.0\n2.933843 0.000000 -0.939453\n0.116685 4.892153 0.364399\n-0.056471 0.336019 4.874456\nP C\n3 1\ndirect\n0.581895 0.065853 0.163790 P\n0.096940 0.362514 0.193878 P\n0.881951 0.705185 0.763902 P\n0.439217 0.866447 0.878434 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"C"
],
"chemical_system": "C-P",
"density": 2.5141017113396518,
"density_atomic": 0.05771462057670928,
"volume": 69.30652857162157,
"volume_molar": 10.43434176613167,
"formula_full": "P3 C1",
"formula_reduced": "P3C",
"formula_anonymous": "AB3",
"energy_above_hull": 3.848249125,
"spacegroup": 8
},
{
"id": "jvasp-118011",
"created_at": "2022-09-04T14:38:54.021070Z",
"updated_at": "2022-09-04T14:38:54.021099Z",
"structure_string": "Cd1 O3\n1.0\n3.148097 0.099649 0.195998\n0.098273 -3.181126 0.019593\n0.550766 2.750221 -5.564221\nCd O\n1 3\ndirect\n0.005732 0.042292 0.015137 Cd\n0.511176 0.536581 0.011932 O\n0.091167 0.356459 0.594542 O\n0.272544 0.453217 0.437454 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 4.75609331274595,
"density_atomic": 0.07142199676065669,
"volume": 56.00515501414024,
"volume_molar": 8.431773169519309,
"formula_full": "Cd1 O3",
"formula_reduced": "CdO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4589571875000005,
"spacegroup": 1
},
{
"id": "jvasp-122454",
"created_at": "2022-09-04T14:38:54.014248Z",
"updated_at": "2022-09-04T14:38:54.014283Z",
"structure_string": "Zr2 Ti2 O8\n1.0\n4.753526 -0.000000 0.000000\n0.000000 5.123528 0.000000\n-0.000000 -0.000000 5.683864\nZr Ti O\n2 2 8\ndirect\n-0.000000 0.500000 0.422212 Zr\n0.500000 0.000000 0.577788 Zr\n0.000000 0.000000 0.070153 Ti\n0.500000 0.500000 0.929846 Ti\n0.738077 0.176930 0.874751 O\n0.761924 0.676930 0.125248 O\n0.238077 0.323070 0.125248 O\n0.261923 0.823070 0.874751 O\n0.282044 0.339338 0.648875 O\n0.217956 0.839338 0.351125 O\n0.782045 0.160662 0.351125 O\n0.717957 0.660663 0.648875 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 4.872321903170548,
"density_atomic": 0.08668672196981228,
"volume": 138.42950485748983,
"volume_molar": 6.947016363240896,
"formula_full": "Zr2 Ti2 O8",
"formula_reduced": "ZrTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.714474472222223,
"spacegroup": 18
},
{
"id": "jvasp-117994",
"created_at": "2022-09-04T14:38:54.009875Z",
"updated_at": "2022-09-04T14:38:54.009891Z",
"structure_string": "Ca1 V1 O1\n1.0\n2.961543 0.000000 0.000000\n0.000000 2.961543 -0.000000\n-0.000000 0.000000 6.916182\nCa V O\n1 1 1\ndirect\n0.000000 0.000000 0.298992 Ca\n0.000000 0.000000 0.750009 V\n0.000000 0.000000 -0.008786 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 2.9295915983471494,
"density_atomic": 0.04945597361024107,
"volume": 60.66001295703491,
"volume_molar": 12.1767712176896,
"formula_full": "Ca1 V1 O1",
"formula_reduced": "CaVO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7125093733333336,
"spacegroup": 99
},
{
"id": "jvasp-121289",
"created_at": "2022-09-04T14:38:54.009014Z",
"updated_at": "2022-09-04T14:38:54.009042Z",
"structure_string": "As3 H1\n1.0\n5.862707 0.485831 0.977321\n-2.601119 -5.259432 -0.279103\n-1.017492 1.980304 -3.168968\nAs H\n3 1\ndirect\n0.906320 0.005204 0.059338 As\n0.975575 0.466869 0.075381 As\n0.574596 0.110500 0.191650 As\n0.203103 0.244863 0.582829 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"H"
],
"chemical_system": "As-H",
"density": 4.318030564057986,
"density_atomic": 0.046070730898204536,
"volume": 86.82302021294582,
"volume_molar": 13.071511223267123,
"formula_full": "As3 H1",
"formula_reduced": "As3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4177638125,
"spacegroup": 1
},
{
"id": "jvasp-121027",
"created_at": "2022-09-04T14:38:54.004912Z",
"updated_at": "2022-09-04T14:38:54.004948Z",
"structure_string": "S1 O1 F1\n1.0\n3.683171 -0.000000 -0.000000\n-1.841585 3.189719 0.000000\n0.000000 -0.000000 2.782873\nS O F\n1 1 1\ndirect\n0.666665 0.333333 0.000000 S\n0.333331 0.666666 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"S",
"O",
"F"
],
"chemical_system": "F-O-S",
"density": 3.4061447904349516,
"density_atomic": 0.0917600327092885,
"volume": 32.69397265260916,
"volume_molar": 6.562923510586765,
"formula_full": "S1 O1 F1",
"formula_reduced": "SOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2758645941666669,
"spacegroup": 187
},
{
"id": "jvasp-120330",
"created_at": "2022-09-04T14:38:54.003744Z",
"updated_at": "2022-09-04T14:38:54.003768Z",
"structure_string": "Mg1 Rh1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nMg Rh O\n1 1 1\ndirect\n0.296012 0.000463 0.000000 Mg\n-0.024638 -0.060059 0.000000 Rh\n0.000652 0.275619 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Rh",
"O"
],
"chemical_system": "Mg-O-Rh",
"density": 1.144845804677888,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Mg1 Rh1 O1",
"formula_reduced": "MgRhO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8768985166666667,
"spacegroup": 6
},
{
"id": "jvasp-123343",
"created_at": "2022-09-04T14:38:54.002493Z",
"updated_at": "2022-09-04T14:38:54.002516Z",
"structure_string": "Ag3 Mo1\n1.0\n4.158752 -0.000000 0.000000\n-0.000000 4.158752 -0.000000\n0.000000 -0.000000 4.158752\nAg Mo\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Mo"
],
"chemical_system": "Ag-Mo",
"density": 9.68585949681745,
"density_atomic": 0.0556123084807431,
"volume": 71.92652326930614,
"volume_molar": 10.828791187629424,
"formula_full": "Ag3 Mo1",
"formula_reduced": "Ag3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 1.47282192,
"spacegroup": 221
},
{
"id": "jvasp-120414",
"created_at": "2022-09-04T14:38:54.000983Z",
"updated_at": "2022-09-04T14:38:54.001009Z",
"structure_string": "Mn4 Bi4 O12\n1.0\n5.297043 0.047471 1.588762\n2.354497 4.745235 1.588762\n-0.109485 -0.068578 9.708765\nMn Bi O\n4 4 12\ndirect\n0.239366 0.770774 0.756936 Mn\n0.770774 0.239366 0.256936 Mn\n0.505064 0.005062 0.006931 Mn\n0.005063 0.505064 0.506931 Mn\n0.359176 0.916436 0.380362 Bi\n0.916436 0.359175 0.880363 Bi\n0.093691 0.650997 0.133492 Bi\n0.650997 0.093691 0.633492 Bi\n0.824429 0.889895 0.848745 O\n0.889895 0.824429 0.348745 O\n0.314402 0.389544 0.880147 O\n0.389544 0.314401 0.380147 O\n0.620599 0.695740 0.633708 O\n0.897928 0.288056 0.421470 O\n0.722095 0.112207 0.092380 O\n0.112208 0.722096 0.592380 O\n0.185723 0.120200 0.165108 O\n0.288057 0.897928 0.921470 O\n0.695739 0.620599 0.133708 O\n0.120201 0.185723 0.665109 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O",
"density": 8.48787192788629,
"density_atomic": 0.08193721037273935,
"volume": 244.08934486563913,
"volume_molar": 7.349701963985312,
"formula_full": "Mn4 Bi4 O12",
"formula_reduced": "MnBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.315022408275862,
"spacegroup": 15
},
{
"id": "jvasp-117978",
"created_at": "2022-09-04T14:38:53.998787Z",
"updated_at": "2022-09-04T14:38:53.998814Z",
"structure_string": "Ca1 Ga1 N1\n1.0\n6.706662 1.105739 0.000000\n1.449499 3.391560 0.000000\n0.000000 0.000000 4.493935\nCa Ga N\n1 1 1\ndirect\n-0.114425 -0.010113 0.000000 Ca\n0.405553 -0.032431 0.000000 Ga\n0.096385 0.281399 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"N"
],
"chemical_system": "Ca-Ga-N",
"density": 2.163702894426655,
"density_atomic": 0.031573456410771715,
"volume": 95.01652150369287,
"volume_molar": 19.07342890069351,
"formula_full": "Ca1 Ga1 N1",
"formula_reduced": "CaGaN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.190531998333333,
"spacegroup": 25
}
]
}