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=828",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=826",
"results": [
{
"id": "jvasp-2865",
"created_at": "2022-09-04T14:37:04.033594Z",
"updated_at": "2022-09-04T14:37:04.033621Z",
"structure_string": "Ca4 As2 O1\n1.0\n4.369035 0.000000 -1.231090\n-0.346892 4.355242 -1.231090\n-0.012230 -0.013243 8.324807\nCa As O\n4 2 1\ndirect\n0.671223 0.671223 0.342446 Ca\n0.328777 0.328777 0.657554 Ca\n0.499999 -0.000000 -0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.862723 0.862724 0.725448 As\n0.137277 0.137277 0.274552 As\n0.500000 0.500000 -0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 3.4220895063784686,
"density_atomic": 0.04422998570462072,
"volume": 158.26367312772402,
"volume_molar": 13.61551595385405,
"formula_full": "Ca4 As2 O1",
"formula_reduced": "Ca4As2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5945912400000001,
"spacegroup": 139
},
{
"id": "jvasp-10083",
"created_at": "2022-09-04T14:38:09.046361Z",
"updated_at": "2022-09-04T14:38:09.046370Z",
"structure_string": "Li4 Al4 Se8\n1.0\n6.573855 0.000000 0.000000\n0.000000 6.871569 0.000000\n0.000000 0.000000 8.242735\nLi Al Se\n4 4 8\ndirect\n0.002291 0.586778 0.877690 Li\n0.502292 0.413222 0.122309 Li\n0.502292 0.913222 0.377690 Li\n0.002291 0.086778 0.622309 Li\n0.999595 0.574798 0.374075 Al\n0.499595 0.425202 0.625924 Al\n0.499595 0.925202 0.874075 Al\n0.999595 0.074798 0.125925 Al\n0.115871 0.907987 0.365985 Se\n0.615872 0.092013 0.634015 Se\n0.615872 0.592013 0.865984 Se\n0.115871 0.407987 0.134015 Se\n0.632043 0.567233 0.381529 Se\n0.132043 0.432767 0.618470 Se\n0.132043 0.932767 0.881529 Se\n0.632043 0.067233 0.118470 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Al",
"Se"
],
"chemical_system": "Al-Li-Se",
"density": 3.4222098062978406,
"density_atomic": 0.042970718217758136,
"volume": 372.34658073245373,
"volume_molar": 14.014522004222126,
"formula_full": "Li4 Al4 Se8",
"formula_reduced": "LiAlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9948998833333332,
"spacegroup": 33
},
{
"id": "jvasp-7706",
"created_at": "2022-09-04T14:37:08.177952Z",
"updated_at": "2022-09-04T14:37:08.177979Z",
"structure_string": "Li1 Ga1 Si1\n1.0\n3.600761 0.000000 2.078900\n1.200253 3.394831 2.078900\n0.000000 0.000000 4.157801\nLi Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ga\n0.499999 0.500000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Si"
],
"chemical_system": "Ga-Li-Si",
"density": 3.422353774996236,
"density_atomic": 0.059026237368198536,
"volume": 50.82485575501556,
"volume_molar": 10.202481182113328,
"formula_full": "Li1 Ga1 Si1",
"formula_reduced": "LiGaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.939566975,
"spacegroup": 216
},
{
"id": "jvasp-122123",
"created_at": "2022-09-04T14:38:54.787606Z",
"updated_at": "2022-09-04T14:38:54.787633Z",
"structure_string": "K2 Rb1 Y1 V2 O8\n1.0\n5.954374 0.000000 0.000000\n-2.977187 5.156639 0.000000\n-0.000000 -0.000000 7.623678\nK Rb Y V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.684586 K\n0.666666 0.333333 0.315414 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.242095 V\n0.666666 0.333333 0.757905 V\n0.333333 0.666667 0.022618 O\n0.666666 0.333333 0.977382 O\n0.174664 0.825336 0.324117 O\n0.825335 0.174665 0.675883 O\n0.174664 0.349329 0.324117 O\n0.825335 0.650671 0.675883 O\n0.650670 0.825336 0.324117 O\n0.349329 0.174665 0.675883 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"K",
"Rb",
"Y",
"V",
"O"
],
"chemical_system": "K-O-Rb-V-Y",
"density": 3.422414676266744,
"density_atomic": 0.05980818903525731,
"volume": 234.08165714141438,
"volume_molar": 10.069090633140403,
"formula_full": "K2 Rb1 Y1 V2 O8",
"formula_reduced": "K2RbYV2O8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-93105",
"created_at": "2022-09-04T14:36:11.056365Z",
"updated_at": "2022-09-04T14:36:11.056377Z",
"structure_string": "Ce1 Mg6 Sb1\n1.0\n6.766315 0.274301 0.000000\n-3.145606 5.448349 0.000000\n0.000000 0.000000 5.242465\nCe Mg Sb\n1 6 1\ndirect\n0.144305 0.322152 0.250000 Ce\n0.651847 0.325587 0.250000 Mg\n0.651847 0.826260 0.250000 Mg\n0.360009 0.185855 0.750001 Mg\n0.360008 0.674155 0.750001 Mg\n0.816571 0.158287 0.750001 Mg\n0.853873 0.676937 0.750001 Mg\n0.161536 0.830769 0.250000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Sb"
],
"chemical_system": "Ce-Mg-Sb",
"density": 3.422912986721854,
"density_atomic": 0.040447310213525475,
"volume": 197.78818313917995,
"volume_molar": 14.888853494110005,
"formula_full": "Ce1 Mg6 Sb1",
"formula_reduced": "CeMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-118506",
"created_at": "2022-09-04T14:38:50.832115Z",
"updated_at": "2022-09-04T14:38:50.832146Z",
"structure_string": "Sr1 H1 Se2\n1.0\n4.436797 -0.000000 -0.000000\n0.000000 4.436797 -0.000000\n0.000000 0.000000 6.075909\nSr H Se\n1 1 2\ndirect\n0.500000 0.500000 0.444644 Sr\n0.000000 0.000000 0.188895 H\n0.000000 0.000000 0.434742 Se\n0.500000 0.500000 0.941720 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"H",
"Se"
],
"chemical_system": "H-Se-Sr",
"density": 3.422946393695448,
"density_atomic": 0.03344333763874391,
"volume": 119.60528710406057,
"volume_molar": 18.00699686452164,
"formula_full": "Sr1 H1 Se2",
"formula_reduced": "SrHSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0078407608333335,
"spacegroup": 99
},
{
"id": "jvasp-74480",
"created_at": "2022-09-04T14:35:46.027565Z",
"updated_at": "2022-09-04T14:35:46.027583Z",
"structure_string": "K1 Be2 Cd1\n1.0\n-2.440490 2.440490 3.451822\n2.440490 -2.440490 3.451822\n2.440490 2.440490 -3.451822\nK Be Cd\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-K",
"density": 3.4232813734614425,
"density_atomic": 0.04864044535531352,
"volume": 82.23608913899545,
"volume_molar": 12.380932608673445,
"formula_full": "K1 Be2 Cd1",
"formula_reduced": "KBe2Cd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7429532875,
"spacegroup": 216
},
{
"id": "jvasp-101941",
"created_at": "2022-09-04T14:36:41.851187Z",
"updated_at": "2022-09-04T14:36:41.851217Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.795290 0.225357 0.301908\n1.106159 4.462977 0.713282\n-0.150046 0.450414 9.430099\nHf H C O\n1 8 6 4\ndirect\n0.039709 0.828442 0.309015 Hf\n0.790853 0.202884 0.917210 H\n0.318279 0.322248 0.881951 H\n0.810209 0.741046 0.853943 H\n0.327179 0.881678 0.856399 H\n0.066097 0.331564 0.673150 H\n0.678801 0.220565 0.647186 H\n0.261407 0.722314 0.635896 H\n0.606277 0.899352 0.603278 H\n0.538183 0.393019 0.922315 C\n0.558828 0.694235 0.827480 C\n0.544521 0.695548 0.665215 C\n0.891348 0.442974 0.455105 C\n0.801031 0.409234 0.616312 C\n0.444394 0.400665 0.079747 C\n0.209888 0.641861 0.113289 O\n-0.016015 0.156516 0.415420 O\n0.591424 0.656079 0.362979 O\n0.580668 0.157847 0.171994 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.423359752527477,
"density_atomic": 0.12141491974724253,
"volume": 156.4881815147064,
"volume_molar": 4.959967665042063,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.73366352631579,
"spacegroup": 1
},
{
"id": "jvasp-120060",
"created_at": "2022-09-04T14:38:37.811092Z",
"updated_at": "2022-09-04T14:38:37.811121Z",
"structure_string": "Ca1 Br2\n1.0\n3.596934 -2.146037 0.638173\n2.125074 -8.647450 0.721850\n1.221369 -7.150733 -3.135875\nCa Br\n1 2\ndirect\n0.035751 0.206761 0.222249 Ca\n0.035188 0.703583 0.473957 Br\n0.036417 0.709843 0.970591 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 3.423421771282922,
"density_atomic": 0.030942128705320298,
"volume": 96.95519104618583,
"volume_molar": 19.46259359642743,
"formula_full": "Ca1 Br2",
"formula_reduced": "CaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-100403",
"created_at": "2022-09-04T14:36:43.400447Z",
"updated_at": "2022-09-04T14:36:43.400467Z",
"structure_string": "Fe1 Ni1 P2 S6\n1.0\n5.743564 -0.022403 0.816014\n-3.020992 4.884941 0.816014\n0.083121 0.148455 6.442176\nFe Ni P S\n1 1 2 6\ndirect\n0.666786 0.333214 -0.000001 Fe\n0.332823 0.667177 -0.000001 Ni\n0.061526 0.061529 0.822821 P\n0.938472 0.938475 0.177178 P\n0.734052 0.721322 0.763106 S\n0.278679 0.265949 0.236893 S\n0.067897 0.428313 0.762962 S\n0.441260 0.093183 0.764327 S\n0.906818 0.558741 0.235673 S\n0.571688 0.932104 0.237037 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Fe",
"Ni",
"P",
"S"
],
"chemical_system": "Fe-Ni-P-S",
"density": 3.423552364558218,
"density_atomic": 0.05589173189228057,
"volume": 178.9173400329207,
"volume_molar": 10.774654060830313,
"formula_full": "Fe1 Ni1 P2 S6",
"formula_reduced": "FeNi(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.58217889,
"spacegroup": 5
},
{
"id": "jvasp-67793",
"created_at": "2022-09-04T14:36:11.891940Z",
"updated_at": "2022-09-04T14:36:11.891969Z",
"structure_string": "Be1 Si2 Br1\n1.0\n-2.482793 2.482793 2.854028\n2.482793 -2.482793 2.854028\n2.482793 2.482793 -2.854028\nBe Si Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.499999 Si\n0.750000 0.250000 0.499999 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Br"
],
"chemical_system": "Be-Br-Si",
"density": 3.423567521227405,
"density_atomic": 0.05684087384458426,
"volume": 70.37189489621325,
"volume_molar": 10.594736415323046,
"formula_full": "Be1 Si2 Br1",
"formula_reduced": "BeSi2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.23164185125,
"spacegroup": 119
},
{
"id": "jvasp-111831",
"created_at": "2022-09-04T14:38:39.069511Z",
"updated_at": "2022-09-04T14:38:39.069531Z",
"structure_string": "Ba1 Be2 P2 O8\n1.0\n5.093966 0.000000 0.000000\n-2.546983 4.411504 0.000000\n0.000000 0.000000 7.452438\nBa Be P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.297012 Be\n0.333333 0.666666 0.702989 Be\n0.333333 0.666666 0.289656 P\n0.666668 0.333333 0.710344 P\n0.666668 0.333333 0.508503 O\n0.333333 0.666666 0.491497 O\n0.495898 0.991795 0.209705 O\n0.008204 0.504102 0.209705 O\n0.495898 0.504102 0.209705 O\n0.504103 0.008204 0.790296 O\n0.991797 0.495897 0.790296 O\n0.504103 0.495897 0.790296 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Be",
"P",
"O"
],
"chemical_system": "Ba-Be-O-P",
"density": 3.4237114018259733,
"density_atomic": 0.0776251158626832,
"volume": 167.47156967851308,
"volume_molar": 7.757979737708875,
"formula_full": "Ba1 Be2 P2 O8",
"formula_reduced": "BaBe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4896043976923075,
"spacegroup": 164
}
]
}