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=formula_full&page=845",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=843",
"results": [
{
"id": "jvasp-58215",
"created_at": "2022-09-04T14:37:33.280129Z",
"updated_at": "2022-09-04T14:37:33.280150Z",
"structure_string": "Ca2 Ni8 O12\n1.0\n3.027488 0.000000 0.000000\n-1.513744 4.833384 0.000000\n0.000000 0.000000 14.709895\nCa Ni O\n2 8 12\ndirect\n0.659661 0.319321 0.750000 Ca\n0.340341 0.680679 0.250000 Ca\n0.862606 0.725213 0.041088 Ni\n0.410887 0.821770 0.632739 Ni\n0.137393 0.274785 0.958912 Ni\n0.589115 0.178229 0.367262 Ni\n0.862606 0.725213 0.458912 Ni\n0.137393 0.274785 0.541089 Ni\n0.589115 0.178229 0.132738 Ni\n0.410887 0.821770 0.867262 Ni\n0.776228 0.552455 0.577640 O\n0.223773 0.447545 0.422360 O\n0.223773 0.447545 0.077640 O\n0.776228 0.552455 0.922360 O\n0.042138 0.084274 0.651066 O\n0.499999 0.000000 0.500000 O\n0.957864 0.915726 0.151066 O\n0.042138 0.084274 0.848935 O\n0.499999 0.000000 0.000000 O\n0.332145 0.664290 0.750000 O\n0.957864 0.915726 0.348934 O\n0.667854 0.335709 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 5.72178758517767,
"density_atomic": 0.10220670267477505,
"volume": 215.25007092739008,
"volume_molar": 5.8921192078396665,
"formula_full": "Ca2 Ni8 O12",
"formula_reduced": "Ca(Ni2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.8808837290909088,
"spacegroup": 63
},
{
"id": "jvasp-27010",
"created_at": "2022-09-04T14:38:34.547985Z",
"updated_at": "2022-09-04T14:38:34.548014Z",
"structure_string": "Ca2 Ni8 Sn4\n1.0\n6.318246 -0.025831 -2.300357\n-3.213741 5.511464 -2.123247\n-0.015062 0.025831 6.723961\nCa Ni Sn\n2 8 4\ndirect\n-0.000000 0.250000 0.250000 Ca\n-0.000000 0.749999 0.749999 Ca\n0.500000 0.474883 0.694410 Ni\n0.219527 0.694410 0.194410 Ni\n0.780473 0.974883 0.474883 Ni\n0.780474 0.305589 0.805589 Ni\n0.219527 0.025116 0.525116 Ni\n0.500001 0.194411 0.974883 Ni\n0.500000 0.805589 0.025115 Ni\n0.500000 0.525116 0.305589 Ni\n0.500000 0.158428 0.341572 Sn\n0.183144 0.341571 0.841571 Sn\n0.816857 0.658428 0.158427 Sn\n0.500000 0.841571 0.658427 Sn\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"Sn"
],
"chemical_system": "Ca-Ni-Sn",
"density": 7.272520731609042,
"density_atomic": 0.05984579367396512,
"volume": 233.93456984246595,
"volume_molar": 10.062763630152721,
"formula_full": "Ca2 Ni8 Sn4",
"formula_reduced": "Ca(Ni2Sn)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.689416202857143,
"spacegroup": 140
},
{
"id": "jvasp-114727",
"created_at": "2022-09-04T14:38:43.053136Z",
"updated_at": "2022-09-04T14:38:43.053163Z",
"structure_string": "Ca2 O1\n1.0\n3.357774 0.725345 0.662328\n-1.028872 -3.338483 -0.051810\n0.021371 -1.373825 -5.928793\nCa O\n2 1\ndirect\n0.700732 0.007254 0.319923 Ca\n0.235029 0.473469 0.853780 Ca\n-0.032114 0.740369 0.086861 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.543319778698721,
"density_atomic": 0.047785864476593234,
"volume": 62.780071740032625,
"volume_molar": 12.602347631379153,
"formula_full": "Ca2 O1",
"formula_reduced": "Ca2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4355568066666669,
"spacegroup": 12
},
{
"id": "jvasp-114729",
"created_at": "2022-09-04T14:38:43.116359Z",
"updated_at": "2022-09-04T14:38:43.116378Z",
"structure_string": "Ca2 O1\n1.0\n3.568201 0.000000 1.021586\n0.000000 3.837986 0.000000\n1.722121 0.000000 7.340884\nCa O\n2 1\ndirect\n0.016739 0.000000 -0.084225 Ca\n0.032982 0.000000 0.400366 Ca\n0.350280 0.000000 0.083859 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 1.70261609576667,
"density_atomic": 0.031990071673016436,
"volume": 93.77909592276701,
"volume_molar": 18.825030533081502,
"formula_full": "Ca2 O1",
"formula_reduced": "Ca2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.543166806666667,
"spacegroup": 25
},
{
"id": "jvasp-79248",
"created_at": "2022-09-04T14:37:16.702990Z",
"updated_at": "2022-09-04T14:37:16.703010Z",
"structure_string": "Ca2 O2\n1.0\n3.990536 -0.000000 -0.000000\n-1.995268 3.455906 0.000000\n-0.000000 -0.000000 4.795083\nCa O\n2 2\ndirect\n0.333333 0.666668 0.999871 Ca\n0.666668 0.333333 0.499871 Ca\n0.333333 0.666668 0.499828 O\n0.666668 0.333333 0.999828 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.8162919865883946,
"density_atomic": 0.06048820655150344,
"volume": 66.1285931265651,
"volume_molar": 9.955892401723586,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0551500000000002,
"spacegroup": 194
},
{
"id": "jvasp-114728",
"created_at": "2022-09-04T14:38:43.126535Z",
"updated_at": "2022-09-04T14:38:43.126561Z",
"structure_string": "Ca2 O2\n1.0\n3.943448 -0.238577 -0.525674\n-2.096515 -3.265956 0.927501\n1.418456 2.372739 -5.586189\nCa O\n2 2\ndirect\n0.757953 -0.291945 0.789173 Ca\n0.090487 0.874587 0.289156 Ca\n0.757887 0.207952 0.289142 O\n0.090562 0.374666 0.789152 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.8249139457697043,
"density_atomic": 0.060673388645661734,
"volume": 65.92676112686526,
"volume_molar": 9.92550588392197,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0451299999999998,
"spacegroup": 194
},
{
"id": "jvasp-79526",
"created_at": "2022-09-04T14:36:42.463592Z",
"updated_at": "2022-09-04T14:36:42.463625Z",
"structure_string": "Ca2 O2\n1.0\n-2.345153 -2.345070 0.000000\n-2.345153 2.345070 0.000000\n2.345153 0.000000 -6.769702\nCa O\n2 2\ndirect\n0.094885 0.228186 0.323072 Ca\n0.771813 0.905115 0.676927 Ca\n0.268397 0.401694 0.670091 O\n0.598305 0.731602 0.329909 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 2.501153942745386,
"density_atomic": 0.05371968426084984,
"volume": 74.46060145433775,
"volume_molar": 11.210305575807066,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy_above_hull": 0.1380750000000001,
"spacegroup": 139
},
{
"id": "jvasp-79744",
"created_at": "2022-09-04T14:37:18.506956Z",
"updated_at": "2022-09-04T14:37:18.506975Z",
"structure_string": "Ca2 P1 Au1\n1.0\n-9.308445 0.000034 -5.374176\n-9.955187 -0.010635 6.494355\n-6.416216 9.999084 0.364679\nCa P Au\n2 1 1\ndirect\n0.767871 0.000001 0.000001 Ca\n0.232131 0.999999 0.999998 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"P",
"Au"
],
"chemical_system": "Au-Ca-P",
"density": 0.4488441695479282,
"density_atomic": 0.0035092956290440594,
"volume": 1139.8298755153921,
"volume_molar": 171.6053988201742,
"formula_full": "Ca2 P1 Au1",
"formula_reduced": "Ca2PAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7849784775,
"spacegroup": 71
},
{
"id": "jvasp-51428",
"created_at": "2022-09-04T14:37:12.919365Z",
"updated_at": "2022-09-04T14:37:12.919378Z",
"structure_string": "Ca2 P1 I1\n1.0\n-4.227496 -0.049403 0.684222\n2.095672 3.730401 -0.185813\n0.934334 -0.909121 -7.669235\nCa P I\n2 1 1\ndirect\n0.460836 0.855505 0.691496 Ca\n0.539116 0.394483 0.308497 Ca\n-0.000017 0.124997 0.499996 P\n0.000070 0.625017 0.000012 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"P",
"I"
],
"chemical_system": "Ca-I-P",
"density": 3.3729699652570146,
"density_atomic": 0.034133745800141245,
"volume": 117.18608392470797,
"volume_molar": 17.64277731269412,
"formula_full": "Ca2 P1 I1",
"formula_reduced": "Ca2PI",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.05672065375,
"spacegroup": 166
},
{
"id": "jvasp-1975",
"created_at": "2022-09-04T14:35:52.066994Z",
"updated_at": "2022-09-04T14:35:52.067022Z",
"structure_string": "Ca2 P1 I1\n1.0\n4.120222 0.002008 6.598416\n1.892439 3.659906 6.598416\n0.003297 0.002008 7.779160\nCa P I\n2 1 1\ndirect\n0.769493 0.769496 0.769493 Ca\n0.230506 0.230507 0.230506 Ca\n0.500000 0.500001 0.500000 P\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"P",
"I"
],
"chemical_system": "Ca-I-P",
"density": 3.3734859025974573,
"density_atomic": 0.0341389669773853,
"volume": 117.16816160986134,
"volume_molar": 17.64007904512533,
"formula_full": "Ca2 P1 I1",
"formula_reduced": "Ca2PI",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.05666815375,
"spacegroup": 166
},
{
"id": "jvasp-16301",
"created_at": "2022-09-04T14:38:07.222995Z",
"updated_at": "2022-09-04T14:38:07.223021Z",
"structure_string": "Ca2 P2 Au2\n1.0\n2.148053 -3.720537 -0.000000\n2.148053 3.720537 -0.000000\n-0.000000 0.000000 7.877692\nCa P Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666666 0.333332 0.750000 P\n0.333332 0.666666 0.250000 P\n0.333332 0.666666 0.750000 Au\n0.666666 0.333332 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"P",
"Au"
],
"chemical_system": "Au-Ca-P",
"density": 7.069097609949639,
"density_atomic": 0.04765095809958757,
"volume": 125.91562141227821,
"volume_molar": 12.638026600460158,
"formula_full": "Ca2 P2 Au2",
"formula_reduced": "CaPAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5595378299999999,
"spacegroup": 194
},
{
"id": "jvasp-34798",
"created_at": "2022-09-04T14:37:11.748507Z",
"updated_at": "2022-09-04T14:37:11.748543Z",
"structure_string": "Ca2 P4 H8 O8\n1.0\n5.355968 0.000000 -2.010264\n-0.478221 6.424645 -1.274129\n-0.062377 0.040944 7.973922\nCa P H O\n2 4 8 8\ndirect\n0.169333 0.750001 0.000000 Ca\n0.830668 0.250000 0.000001 Ca\n0.541988 0.776350 0.710625 P\n0.831364 0.723650 0.289375 P\n0.458012 0.223650 0.289375 P\n0.168636 0.276350 0.710625 P\n0.601172 0.571694 0.652441 H\n0.086642 0.359590 0.548814 H\n0.398828 0.428306 0.347559 H\n0.051267 0.071693 0.652441 H\n0.462172 0.859591 0.548814 H\n0.913358 0.640410 0.451187 H\n0.537828 0.140409 0.451186 H\n0.948733 0.928307 0.347560 H\n0.211162 0.104452 0.154887 O\n0.056276 0.395548 0.845113 O\n0.549303 0.732922 0.223305 O\n0.674002 0.232921 0.223305 O\n0.450697 0.267078 0.776696 O\n0.943724 0.604452 0.154888 O\n0.788838 0.895548 0.845113 O\n0.325998 0.767079 0.776695 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-O-P",
"density": 2.061960622380589,
"density_atomic": 0.08032206134831586,
"volume": 273.8973531144477,
"volume_molar": 7.49749279203013,
"formula_full": "Ca2 P4 H8 O8",
"formula_reduced": "CaP2(HO)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 2.656442310909091,
"spacegroup": 15
}
]
}