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=density&page=268",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=266",
"results": [
{
"id": "jvasp-3714",
"created_at": "2022-09-04T14:36:01.495082Z",
"updated_at": "2022-09-04T14:36:01.495099Z",
"structure_string": "Ca1 H2 O2\n1.0\n1.794756 -3.108608 -0.000000\n1.794756 3.108608 0.000000\n0.000000 0.000000 4.825047\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.442508 H\n0.333334 0.666668 0.557493 H\n0.666668 0.333334 0.240153 O\n0.333334 0.666668 0.759848 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.285185624626582,
"density_atomic": 0.09286821248054163,
"volume": 53.839735539732004,
"volume_molar": 6.484609318028815,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6305774839999996,
"spacegroup": 164
},
{
"id": "jvasp-15272",
"created_at": "2022-09-04T14:36:09.278364Z",
"updated_at": "2022-09-04T14:36:09.278401Z",
"structure_string": "Mg1 Al2 Si2\n1.0\n2.047000 -3.545509 0.000000\n2.047000 3.545509 -0.000000\n-0.000000 0.000000 6.729643\nMg Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.634091 Al\n0.666667 0.333333 0.365908 Al\n0.333333 0.666667 0.243529 Si\n0.666667 0.333333 0.756471 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.285368114385925,
"density_atomic": 0.05118604190331334,
"volume": 97.68288021653699,
"volume_molar": 11.765201090124101,
"formula_full": "Mg1 Al2 Si2",
"formula_reduced": "Mg(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.871136846666668,
"spacegroup": 164
},
{
"id": "jvasp-69081",
"created_at": "2022-09-04T14:35:42.192684Z",
"updated_at": "2022-09-04T14:35:42.192703Z",
"structure_string": "K2 Ba1 Mn1\n1.0\n4.187415 0.000000 -0.000000\n0.000000 4.187415 -0.000000\n-0.000000 -0.000000 11.207414\nK Ba Mn\n2 1 1\ndirect\n0.000000 0.000000 0.007989 K\n0.499999 0.499999 0.685645 K\n0.499999 0.499999 0.323057 Ba\n0.000000 0.000000 0.483309 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 2.285374402826672,
"density_atomic": 0.02035459977754599,
"volume": 196.5157774515698,
"volume_molar": 29.586141834354684,
"formula_full": "K2 Ba1 Mn1",
"formula_reduced": "K2BaMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6586548028448275,
"spacegroup": 99
},
{
"id": "jvasp-91865",
"created_at": "2022-09-04T14:35:41.769387Z",
"updated_at": "2022-09-04T14:35:41.769416Z",
"structure_string": "Mg7 Ga1\n1.0\n6.271087 0.000000 0.000000\n-3.135543 5.430920 0.000000\n-0.000000 0.000000 5.116690\nMg Ga\n7 1\ndirect\n0.165604 0.832801 0.250000 Mg\n0.667199 0.334397 0.250000 Mg\n0.667199 0.832801 0.250000 Mg\n0.331428 0.168572 0.750000 Mg\n0.331428 0.662857 0.750000 Mg\n0.837143 0.168572 0.750000 Mg\n0.833334 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.2855881127341724,
"density_atomic": 0.04590760646390623,
"volume": 174.2630604427136,
"volume_molar": 13.117958490680113,
"formula_full": "Mg7 Ga1",
"formula_reduced": "Mg7Ga",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-51010",
"created_at": "2022-09-04T14:37:16.365998Z",
"updated_at": "2022-09-04T14:37:16.366024Z",
"structure_string": "Ca1 H2 O2\n1.0\n3.589602 0.000168 -0.003294\n-1.794656 3.108434 0.000000\n0.011764 0.006792 4.823717\nCa H O\n1 2 2\ndirect\n-0.000002 0.939760 -0.000000 Ca\n0.334028 0.606713 0.557371 H\n0.665969 0.272684 0.442630 H\n0.333902 0.606668 0.759787 O\n0.666095 0.272765 0.240214 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.2858177506473605,
"density_atomic": 0.0928939016031142,
"volume": 53.824846558413675,
"volume_molar": 6.482816047203374,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6305914839999995,
"spacegroup": 164
},
{
"id": "jvasp-51035",
"created_at": "2022-09-04T14:37:27.134344Z",
"updated_at": "2022-09-04T14:37:27.134354Z",
"structure_string": "Ca1 H2 O2\n1.0\n-3.590021 -0.021817 0.012177\n1.774947 3.112996 -0.199019\n-0.014796 -0.315194 -4.812591\nCa H O\n1 2 2\ndirect\n0.085763 0.011073 0.974624 Ca\n0.417940 0.676701 0.531958 H\n0.752441 0.345811 0.417324 H\n0.418616 0.676591 0.734404 O\n0.752989 0.345479 0.214876 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"O"
],
"chemical_system": "Ca-H-O",
"density": 2.2861639285675746,
"density_atomic": 0.0929079700115201,
"volume": 53.81669623585605,
"volume_molar": 6.481834399409745,
"formula_full": "Ca1 H2 O2",
"formula_reduced": "Ca(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6306114839999997,
"spacegroup": 164
},
{
"id": "jvasp-99190",
"created_at": "2022-09-04T14:36:32.172566Z",
"updated_at": "2022-09-04T14:36:32.172591Z",
"structure_string": "Na12 V4 S12 O4\n1.0\n5.905700 -0.000000 0.000000\n0.000000 9.640331 0.000000\n0.000000 0.000000 11.844491\nNa V S O\n12 4 12 4\ndirect\n0.249080 0.456039 0.130276 Na\n0.233980 0.750000 0.369614 Na\n0.250920 0.956039 0.630276 Na\n0.749081 0.043961 0.369723 Na\n0.266020 0.250000 0.869614 Na\n0.249080 0.043961 0.130276 Na\n0.250920 0.543961 0.630276 Na\n0.733980 0.750000 0.130386 Na\n0.749081 0.456039 0.369723 Na\n0.750920 0.956039 0.869723 Na\n0.766020 0.250000 0.630386 Na\n0.750920 0.543961 0.869723 Na\n0.655802 0.750000 0.547078 V\n0.844198 0.250000 0.047079 V\n0.344198 0.250000 0.452921 V\n0.155802 0.750000 0.952921 V\n0.749879 0.750000 0.367852 S\n0.272242 0.559167 0.873893 S\n0.272242 0.940832 0.873893 S\n0.772242 0.940832 0.626107 S\n0.727758 0.059168 0.126107 S\n0.772242 0.559167 0.626107 S\n0.750122 0.250000 0.867851 S\n0.227758 0.440832 0.373893 S\n0.250122 0.250000 0.632149 S\n0.227758 0.059168 0.373893 S\n0.249879 0.750000 0.132148 S\n0.727758 0.440832 0.126107 S\n0.870130 0.750000 0.947223 O\n0.629870 0.250000 0.447223 O\n0.370130 0.750000 0.552777 O\n0.129870 0.250000 0.052777 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"V",
"S",
"O"
],
"chemical_system": "Na-O-S-V",
"density": 2.286200125029696,
"density_atomic": 0.047453718393796786,
"volume": 674.3412546609432,
"volume_molar": 12.690556112010018,
"formula_full": "Na12 V4 S12 O4",
"formula_reduced": "Na3VS3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.3161268375,
"spacegroup": 62
},
{
"id": "jvasp-103938",
"created_at": "2022-09-04T14:36:44.728857Z",
"updated_at": "2022-09-04T14:36:44.728871Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.286252473630291,
"density_atomic": 0.10896771675965218,
"volume": 183.5405989474257,
"volume_molar": 5.526536610180526,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.713805305,
"spacegroup": 1
},
{
"id": "jvasp-51025",
"created_at": "2022-09-04T14:38:03.352956Z",
"updated_at": "2022-09-04T14:38:03.352992Z",
"structure_string": "Na4 H4 O4\n1.0\n3.147959 -0.000013 -0.002792\n0.000438 5.967959 -0.001891\n0.005769 0.002104 6.185094\nNa H O\n4 4 4\ndirect\n0.341385 0.749994 0.501234 Na\n0.658628 0.250002 0.001233 Na\n0.658622 0.250002 0.501232 Na\n0.341366 0.750003 0.001233 Na\n0.051055 0.481420 0.251227 H\n0.948946 0.518580 0.751227 H\n0.051045 0.018575 0.751217 H\n0.948955 0.981425 0.251240 H\n0.791175 0.571600 0.251227 O\n0.208827 0.428400 0.751236 O\n0.791183 0.928404 0.751227 O\n0.208820 0.071597 0.251232 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.2863150998839754,
"density_atomic": 0.10327129839498886,
"volume": 116.19879082088009,
"volume_molar": 5.831378953876133,
"formula_full": "Na4 H4 O4",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7909075000000001,
"spacegroup": 57
},
{
"id": "jvasp-12252",
"created_at": "2022-09-04T14:38:11.745742Z",
"updated_at": "2022-09-04T14:38:11.745768Z",
"structure_string": "Na6 V2 S6 O2\n1.0\n5.892461 0.000000 0.000000\n0.000000 7.481808 -1.573329\n0.000000 0.008632 7.645439\nNa V S O\n6 2 6 2\ndirect\n0.463779 0.118889 0.881111 Na\n0.483089 0.173753 0.413613 Na\n0.483089 0.586387 0.826247 Na\n0.983089 0.413613 0.173753 Na\n0.963778 0.881111 0.118889 Na\n0.983089 0.826247 0.586387 Na\n0.385235 0.702951 0.297049 V\n0.885235 0.297048 0.702951 V\n0.500752 0.432666 0.186383 S\n0.982894 0.118380 0.881620 S\n0.500752 0.813617 0.567334 S\n0.000752 0.186383 0.432666 S\n0.000752 0.567334 0.813616 S\n0.482894 0.881620 0.118380 S\n0.598970 0.301971 0.698029 O\n0.098970 0.698029 0.301971 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"V",
"S",
"O"
],
"chemical_system": "Na-O-S-V",
"density": 2.2864156055926816,
"density_atomic": 0.0474581910354712,
"volume": 337.13885107928536,
"volume_molar": 12.68936010540084,
"formula_full": "Na6 V2 S6 O2",
"formula_reduced": "Na3VS3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.3161080875000002,
"spacegroup": 36
},
{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.286422219800646,
"density_atomic": 0.023398868650942296,
"volume": 128.21132699846098,
"volume_molar": 25.736888607037347,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3909888383333332,
"spacegroup": 99
},
{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cd"
],
"chemical_system": "Cd-K-Mg",
"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
"volume_molar": 16.25523367130603,
"formula_full": "K1 Mg6 Cd1",
"formula_reduced": "KMg6Cd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
}
]
}