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_anonymous&page=4133",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4131",
"results": [
{
"id": "jvasp-102734",
"created_at": "2022-09-04T14:36:56.771343Z",
"updated_at": "2022-09-04T14:36:56.771365Z",
"structure_string": "K1 Li1 Zn3 O4\n1.0\n4.489734 0.006398 4.073007\n3.245865 3.101953 4.073007\n0.036289 0.014582 8.178464\nK Li Zn O\n1 1 3 4\ndirect\n0.995083 0.995085 -0.001207 K\n0.181750 0.181750 0.188298 Li\n0.800841 0.800841 0.841848 Zn\n0.630468 0.630468 0.532448 Zn\n0.375924 0.375924 0.442689 Zn\n0.240701 0.240700 0.359654 O\n0.766682 0.766682 0.637011 O\n0.405503 0.405503 0.820983 O\n0.603043 0.603043 0.178284 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Li",
"Zn",
"O"
],
"chemical_system": "K-Li-O-Zn",
"density": 4.492617428605132,
"density_atomic": 0.07950547580278035,
"volume": 113.19975019488237,
"volume_molar": 7.574498107449101,
"formula_full": "K1 Li1 Zn3 O4",
"formula_reduced": "KLiZn3O4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.4251825777777778,
"spacegroup": 8
},
{
"id": "jvasp-100943",
"created_at": "2022-09-04T14:36:36.442598Z",
"updated_at": "2022-09-04T14:36:36.442633Z",
"structure_string": "Mg1 Ga1 Cu3 Se4\n1.0\n5.812886 -0.000000 0.000000\n0.000000 5.812886 0.000000\n-0.000000 -0.000000 5.812886\nMg Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.246350 0.246350 0.246350 Se\n0.753651 0.753651 0.246350 Se\n0.246350 0.753651 0.753651 Se\n0.753651 0.246350 0.753651 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Mg-Se",
"density": 5.07681141231788,
"density_atomic": 0.04582126681959269,
"volume": 196.41534651223773,
"volume_molar": 13.142676268009676,
"formula_full": "Mg1 Ga1 Cu3 Se4",
"formula_reduced": "MgGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3577329101851853,
"spacegroup": 215
},
{
"id": "jvasp-100482",
"created_at": "2022-09-04T14:36:34.555495Z",
"updated_at": "2022-09-04T14:36:34.555521Z",
"structure_string": "Cd1 Co1 Cu3 Se4\n1.0\n5.790920 0.000000 -0.000000\n0.000000 5.790920 0.000000\n-0.000000 0.000000 5.790920\nCd Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236332 0.236332 0.236332 Se\n0.763668 0.763668 0.236332 Se\n0.236332 0.763668 0.763668 Se\n0.763668 0.236332 0.763668 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Co",
"Cu",
"Se"
],
"chemical_system": "Cd-Co-Cu-Se",
"density": 5.7959173934964685,
"density_atomic": 0.046344672071599924,
"volume": 194.1970802187467,
"volume_molar": 12.994246136203381,
"formula_full": "Cd1 Co1 Cu3 Se4",
"formula_reduced": "CdCoCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7326317185185182,
"spacegroup": 215
},
{
"id": "jvasp-100138",
"created_at": "2022-09-04T14:36:37.576370Z",
"updated_at": "2022-09-04T14:36:37.576397Z",
"structure_string": "Mg1 Cu3 Ni1 Se4\n1.0\n5.713491 0.000000 -0.000000\n-0.000000 5.713491 0.000000\n0.000000 -0.000000 5.713491\nMg Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.242102 0.242102 0.242102 Se\n0.757898 0.757898 0.242102 Se\n0.242102 0.757898 0.757898 Se\n0.757898 0.242102 0.757898 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Ni",
"Se"
],
"chemical_system": "Cu-Mg-Ni-Se",
"density": 5.248206045849649,
"density_atomic": 0.04825450518606103,
"volume": 186.51108254654267,
"volume_molar": 12.479955471058437,
"formula_full": "Mg1 Cu3 Ni1 Se4",
"formula_reduced": "MgCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5554662518518518,
"spacegroup": 215
},
{
"id": "jvasp-99745",
"created_at": "2022-09-04T14:36:48.130667Z",
"updated_at": "2022-09-04T14:36:48.130694Z",
"structure_string": "Co1 Cu3 Hg1 Se4\n1.0\n5.852915 -0.000000 0.000000\n-0.000000 5.852915 -0.000000\n-0.000000 -0.000000 5.852915\nCo Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226182 0.226182 0.226182 Se\n0.773819 0.773819 0.226182 Se\n0.226182 0.773819 0.773819 Se\n0.773819 0.226182 0.773819 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Co-Cu-Hg-Se",
"density": 6.343981290412724,
"density_atomic": 0.044887545496044595,
"volume": 200.50104991356818,
"volume_molar": 13.41606161230326,
"formula_full": "Co1 Cu3 Hg1 Se4",
"formula_reduced": "CoCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7702467018518515,
"spacegroup": 215
},
{
"id": "jvasp-100945",
"created_at": "2022-09-04T14:36:37.629120Z",
"updated_at": "2022-09-04T14:36:37.629148Z",
"structure_string": "Al1 Cu3 Hg1 Se4\n1.0\n5.910992 0.000000 0.000000\n0.000000 5.910992 0.000000\n-0.000000 -0.000000 5.910992\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.235733 0.235733 0.235733 Se\n0.764267 0.764267 0.235733 Se\n0.235733 0.764267 0.764267 Se\n0.764267 0.235733 0.764267 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Al",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Al-Cu-Hg-Se",
"density": 5.90192046735333,
"density_atomic": 0.04357740800425649,
"volume": 206.52903447403094,
"volume_molar": 13.819410184772298,
"formula_full": "Al1 Cu3 Hg1 Se4",
"formula_reduced": "AlCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5441824685185183,
"spacegroup": 215
},
{
"id": "jvasp-99664",
"created_at": "2022-09-04T14:36:31.250604Z",
"updated_at": "2022-09-04T14:36:31.250620Z",
"structure_string": "Na3 Al1 Si1 Te4\n1.0\n4.124676 0.255482 1.306255\n1.687279 9.072475 7.218391\n1.367083 2.454013 9.537767\nNa Al Si Te\n3 1 1 4\ndirect\n0.042667 0.577773 0.073955 Na\n0.246325 0.281222 0.666148 Na\n0.541616 0.801448 0.351710 Na\n0.527086 0.922803 0.744842 Al\n0.797868 0.315912 0.080426 Si\n0.299546 0.719166 0.175947 Te\n0.018054 0.151092 0.525801 Te\n0.488388 0.264460 -0.059084 Te\n0.788455 0.716125 0.690253 Te\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Al",
"Si",
"Te"
],
"chemical_system": "Al-Na-Si-Te",
"density": 3.8808114709498565,
"density_atomic": 0.0331533868957371,
"volume": 271.46547736747914,
"volume_molar": 18.16448129097282,
"formula_full": "Na3 Al1 Si1 Te4",
"formula_reduced": "Na3AlSiTe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7723977185185186,
"spacegroup": 6
},
{
"id": "jvasp-99743",
"created_at": "2022-09-04T14:36:34.797553Z",
"updated_at": "2022-09-04T14:36:34.797580Z",
"structure_string": "Mg1 Al1 Cu3 Se4\n1.0\n5.777052 0.000000 0.000000\n-0.000000 5.777052 -0.000000\n-0.000000 -0.000000 5.777052\nMg Al Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.243117 0.243117 0.243117 Se\n0.756883 0.756883 0.243117 Se\n0.243117 0.756883 0.756883 Se\n0.756883 0.243117 0.756883 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Mg-Se",
"density": 4.80375850865041,
"density_atomic": 0.04667922955244666,
"volume": 192.8052387815872,
"volume_molar": 12.901114302312545,
"formula_full": "Mg1 Al1 Cu3 Se4",
"formula_reduced": "MgAlCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6229262962962963,
"spacegroup": 215
},
{
"id": "jvasp-110950",
"created_at": "2022-09-04T14:38:37.388250Z",
"updated_at": "2022-09-04T14:38:37.388264Z",
"structure_string": "Zn1 In3 As1 Se4\n1.0\n5.357339 -0.008737 2.391064\n2.645693 6.561758 1.225675\n-0.006884 -0.007961 7.218725\nZn In As Se\n1 3 1 4\ndirect\n0.978844 0.009681 0.002028 Zn\n0.401141 0.392016 0.804956 In\n0.613808 0.598803 0.194922 In\n0.807308 0.802148 0.597876 In\n0.421076 0.719609 0.904750 As\n0.622309 0.930838 0.300695 Se\n0.891923 0.108494 0.680971 Se\n0.062131 0.273176 0.126516 Se\n0.251464 0.465234 0.487283 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Zn",
"In",
"As",
"Se"
],
"chemical_system": "As-In-Se-Zn",
"density": 5.233287963215026,
"density_atomic": 0.0354273864264065,
"volume": 254.04075512868408,
"volume_molar": 16.998546512906973,
"formula_full": "Zn1 In3 As1 Se4",
"formula_reduced": "ZnIn3AsSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.577849502962963,
"spacegroup": 1
},
{
"id": "jvasp-57137",
"created_at": "2022-09-04T14:38:34.165360Z",
"updated_at": "2022-09-04T14:38:34.165393Z",
"structure_string": "K6 Li2 Ir2 O8\n1.0\n5.772843 0.022965 1.071565\n1.203958 7.087611 0.723115\n0.025122 0.018713 7.225348\nK Li Ir O\n6 2 2 8\ndirect\n0.977441 0.934050 0.756031 K\n0.750000 0.404127 0.595874 K\n0.477441 0.756029 0.934052 K\n0.522559 0.243970 0.065950 K\n0.022559 0.065949 0.243970 K\n0.250000 0.595872 0.404128 K\n0.250000 0.269436 0.730564 Li\n0.750000 0.730562 0.269438 Li\n0.500000 -0.000001 0.500001 Ir\n0.000000 0.500000 0.000000 Ir\n0.760831 0.793468 0.518882 O\n0.529709 0.088082 0.736904 O\n0.260831 0.518880 0.793470 O\n0.029709 0.736903 0.088083 O\n0.470291 0.911916 0.263098 O\n0.970290 0.263096 0.911918 O\n0.739168 0.481118 0.206532 O\n0.239168 0.206531 0.481120 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-K-Li-O",
"density": 4.280374793969493,
"density_atomic": 0.06097854404547621,
"volume": 295.18579496709646,
"volume_molar": 9.87583559802419,
"formula_full": "K6 Li2 Ir2 O8",
"formula_reduced": "K3LiIrO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4311098999999998,
"spacegroup": 15
},
{
"id": "jvasp-109916",
"created_at": "2022-09-04T14:38:26.789925Z",
"updated_at": "2022-09-04T14:38:26.789954Z",
"structure_string": "Ba1 Sc1 Cu3 Se4\n1.0\n6.285084 0.000000 0.000000\n0.000000 6.285084 0.000000\n-0.000000 -0.000000 6.285084\nBa Sc Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.226025 0.226025 0.226025 Se\n0.773974 0.773974 0.226025 Se\n0.226025 0.773974 0.773974 Se\n0.773974 0.226025 0.773974 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Sc-Se",
"density": 4.6066405981120075,
"density_atomic": 0.03625010344654007,
"volume": 248.2751535667415,
"volume_molar": 16.612754688772593,
"formula_full": "Ba1 Sc1 Cu3 Se4",
"formula_reduced": "BaScCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7802073374074072,
"spacegroup": 215
},
{
"id": "jvasp-98161",
"created_at": "2022-09-04T14:35:41.742684Z",
"updated_at": "2022-09-04T14:35:41.742711Z",
"structure_string": "V4 H16 N4 O12\n1.0\n4.809879 0.000000 -0.000000\n0.000000 11.827434 0.000000\n0.000000 0.000000 5.826388\nV H N O\n4 16 4 12\ndirect\n0.456667 0.326632 0.750000 V\n0.543333 0.673367 0.250000 V\n0.456667 0.173367 0.250000 V\n0.543333 0.826632 0.750000 V\n0.945205 0.362640 0.393049 H\n0.054796 0.637359 0.893049 H\n0.054796 0.862640 0.106952 H\n0.054796 0.637359 0.606952 H\n0.945205 0.362640 0.106952 H\n0.054796 0.862640 0.393049 H\n0.945205 0.137360 0.893049 H\n0.945205 0.137360 0.606952 H\n0.112362 0.468153 0.250000 H\n0.887638 0.968153 0.250000 H\n0.112362 0.031847 0.750000 H\n0.247725 0.540492 0.750000 H\n0.752275 0.459508 0.250000 H\n0.887638 0.531847 0.750000 H\n0.247725 0.959507 0.250000 H\n0.752275 0.040492 0.750000 H\n0.939628 0.413963 0.250000 N\n0.060372 0.586037 0.750000 N\n0.939628 0.086037 0.750000 N\n0.060372 0.913963 0.250000 N\n0.424256 0.750000 0.500000 O\n0.112075 0.329446 0.750000 O\n0.887925 0.670554 0.250000 O\n0.112075 0.170554 0.250000 O\n0.887925 0.829446 0.750000 O\n0.566848 0.461494 0.750000 O\n0.433152 0.538506 0.250000 O\n0.566848 0.038506 0.250000 O\n0.433152 0.961493 0.750000 O\n0.575744 0.250000 0.500000 O\n0.424256 0.750000 0.000000 O\n0.575744 0.250000 0.000000 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"V",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-V",
"density": 2.344173692575915,
"density_atomic": 0.10861215078706725,
"volume": 331.45462767400255,
"volume_molar": 5.544628953906209,
"formula_full": "V4 H16 N4 O12",
"formula_reduced": "VH4NO3",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.4070842166666666,
"spacegroup": 57
}
]
}