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=-volume_molar&page=1518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1516",
"results": [
{
"id": "jvasp-5437",
"created_at": "2022-09-04T14:38:04.775965Z",
"updated_at": "2022-09-04T14:38:04.775986Z",
"structure_string": "C2 Br2 N2\n1.0\n3.928757 0.000000 0.000000\n0.000000 5.761869 0.000000\n0.000000 0.000000 5.707588\nC Br N\n2 2 2\ndirect\n0.500000 0.453341 0.500000 C\n0.000000 0.546659 0.000000 C\n0.500000 0.143230 0.500000 Br\n0.000000 0.856770 0.000000 Br\n0.000000 0.344089 0.000000 N\n0.500000 0.655911 0.500000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"Br",
"N"
],
"chemical_system": "Br-C-N",
"density": 2.7226489063278017,
"density_atomic": 0.04643870349041528,
"volume": 129.20257347921805,
"volume_molar": 12.967934734101568,
"formula_full": "C2 Br2 N2",
"formula_reduced": "CBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.453105784999999,
"spacegroup": 59
},
{
"id": "jvasp-20999",
"created_at": "2022-09-04T14:37:37.156743Z",
"updated_at": "2022-09-04T14:37:37.156772Z",
"structure_string": "Ca4 Si4 Pt4\n1.0\n6.369407 0.000000 0.000000\n0.000000 6.369407 -0.000000\n-0.000000 0.000000 6.369407\nCa Si Pt\n4 4 4\ndirect\n0.624807 0.375193 0.875193 Ca\n0.375193 0.875193 0.624807 Ca\n0.124807 0.124807 0.124807 Ca\n0.875193 0.624807 0.375193 Ca\n0.170558 0.329442 0.670558 Si\n0.670558 0.170558 0.329442 Si\n0.329442 0.670558 0.170558 Si\n0.829442 0.829442 0.829442 Si\n0.576898 0.923102 0.076898 Pt\n0.076898 0.576898 0.923102 Pt\n0.423102 0.423102 0.423102 Pt\n0.923102 0.076898 0.576898 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pt"
],
"chemical_system": "Ca-Pt-Si",
"density": 6.766690950340754,
"density_atomic": 0.04643914802205435,
"volume": 258.4026734147038,
"volume_molar": 12.96781060053047,
"formula_full": "Ca4 Si4 Pt4",
"formula_reduced": "CaSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2397568066666662,
"spacegroup": 198
},
{
"id": "jvasp-16404",
"created_at": "2022-09-04T14:38:34.320570Z",
"updated_at": "2022-09-04T14:38:34.320597Z",
"structure_string": "Tm3 Mg3 Ga3\n1.0\n3.582491 -6.205055 -0.000000\n3.582491 6.205055 0.000000\n-0.000000 -0.000000 4.359013\nTm Mg Ga\n3 3 3\ndirect\n0.425909 -0.000000 0.000000 Tm\n0.574091 0.574091 0.000000 Tm\n-0.000000 0.425909 0.000000 Tm\n0.755510 -0.000000 0.500000 Mg\n0.244490 0.244490 0.500000 Mg\n-0.000000 0.755510 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Tm",
"density": 6.759503386277127,
"density_atomic": 0.04644014918408794,
"volume": 193.79782705529556,
"volume_molar": 12.967531038990291,
"formula_full": "Tm3 Mg3 Ga3",
"formula_reduced": "TmMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-8556",
"created_at": "2022-09-04T14:36:51.442564Z",
"updated_at": "2022-09-04T14:36:51.442584Z",
"structure_string": "Cr2 Cl4\n1.0\n3.592068 0.000000 0.000000\n0.000000 5.808808 0.000000\n0.000000 -0.000000 6.191867\nCr Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.777024 0.164340 Cl\n0.500000 0.222976 0.835660 Cl\n0.000000 0.722976 0.664341 Cl\n0.000000 0.277024 0.335660 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 3.1592588165598734,
"density_atomic": 0.04644062541771715,
"volume": 129.19722648073972,
"volume_molar": 12.967398061143566,
"formula_full": "Cr2 Cl4",
"formula_reduced": "CrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1580351783333338,
"spacegroup": 58
},
{
"id": "jvasp-21748",
"created_at": "2022-09-04T14:37:44.896202Z",
"updated_at": "2022-09-04T14:37:44.896219Z",
"structure_string": "Nd4 Cd2 Ni4\n1.0\n7.519419 0.000000 0.000000\n-0.000000 7.519419 -0.000000\n0.000000 0.000000 3.808188\nNd Cd Ni\n4 2 4\ndirect\n0.322645 0.822645 0.500000 Nd\n0.822645 0.677355 0.500000 Nd\n0.177355 0.322645 0.500000 Nd\n0.677355 0.177355 0.500000 Nd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.383045 0.116955 0.000000 Ni\n0.883045 0.383045 0.000000 Ni\n0.116955 0.616955 0.000000 Ni\n0.616955 0.883045 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Ni"
],
"chemical_system": "Cd-Nd-Ni",
"density": 7.993888760136213,
"density_atomic": 0.046442228291595826,
"volume": 215.32127909998664,
"volume_molar": 12.966950513633655,
"formula_full": "Nd4 Cd2 Ni4",
"formula_reduced": "Nd2CdNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6485555100000002,
"spacegroup": 127
},
{
"id": "jvasp-93450",
"created_at": "2022-09-04T14:35:48.764311Z",
"updated_at": "2022-09-04T14:35:48.764333Z",
"structure_string": "Cr2 Cl4\n1.0\n0.000000 0.000000 -3.592874\n0.000000 -5.808651 0.000000\n-6.190166 -0.000000 0.000000\nCr Cl\n2 4\ndirect\n0.499999 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.499999 0.777155 0.164531 Cl\n0.499999 0.222845 0.835469 Cl\n0.000000 0.722845 0.664532 Cl\n0.000000 0.277155 0.335469 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 3.1595034257030714,
"density_atomic": 0.046444221135020676,
"volume": 129.18722401560044,
"volume_molar": 12.966394123593306,
"formula_full": "Cr2 Cl4",
"formula_reduced": "CrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1580518450000004,
"spacegroup": 58
},
{
"id": "jvasp-79861",
"created_at": "2022-09-04T14:37:18.106341Z",
"updated_at": "2022-09-04T14:37:18.106369Z",
"structure_string": "Pa1 Hg1 Au2\n1.0\n0.000000 3.505067 3.505067\n3.505067 -0.000000 3.505067\n3.505067 3.505067 0.000000\nPa Hg Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Pa\n0.249999 0.249999 0.249999 Hg\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Pa",
"density": 15.91762450692525,
"density_atomic": 0.04644521992425549,
"volume": 86.12296392445427,
"volume_molar": 12.96611528553664,
"formula_full": "Pa1 Hg1 Au2",
"formula_reduced": "PaHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9123632100000004,
"spacegroup": 225
},
{
"id": "jvasp-81624",
"created_at": "2022-09-04T14:37:15.509842Z",
"updated_at": "2022-09-04T14:37:15.509862Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-11.684035 2.085496 -3.340181\n-7.782079 0.152403 0.424185\n-6.434458 3.964054 -1.909965\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.806584 -0.037603 -0.037602 Cd\n0.193415 0.037604 0.037604 Cd\n0.499999 0.000001 0.000001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 6.682504514114298,
"density_atomic": 0.04644568839865869,
"volume": 86.12209524523952,
"volume_molar": 12.965984502823979,
"formula_full": "Li1 Cd2 In1",
"formula_reduced": "LiCd2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-1927",
"created_at": "2022-09-04T14:36:30.994715Z",
"updated_at": "2022-09-04T14:36:30.994743Z",
"structure_string": "V1 Cl2\n1.0\n1.819648 -3.151724 0.000000\n1.819648 3.151724 0.000000\n0.000000 0.000000 5.631117\nV Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333334 0.762609 Cl\n0.333334 0.666667 0.237391 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 3.132604810999702,
"density_atomic": 0.04644737181430741,
"volume": 64.58923040885374,
"volume_molar": 12.965514570072987,
"formula_full": "V1 Cl2",
"formula_reduced": "VCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9463207783333334,
"spacegroup": 164
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
"formula_reduced": "Nb12ZnSe16",
"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-110567",
"created_at": "2022-09-04T14:38:39.025190Z",
"updated_at": "2022-09-04T14:38:39.025221Z",
"structure_string": "Li1 Sm1 S2\n1.0\n3.982212 0.000000 -0.000000\n0.000000 3.982212 -0.000000\n-0.000000 0.000000 5.430465\nLi Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sm",
"S"
],
"chemical_system": "Li-S-Sm",
"density": 4.269743110106941,
"density_atomic": 0.04644877009450355,
"volume": 86.11638137805794,
"volume_molar": 12.965124260012692,
"formula_full": "Li1 Sm1 S2",
"formula_reduced": "LiSmS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02831971875,
"spacegroup": 123
},
{
"id": "jvasp-23697",
"created_at": "2022-09-04T14:37:36.196337Z",
"updated_at": "2022-09-04T14:37:36.196362Z",
"structure_string": "Li2 Sn8 Ir2\n1.0\n5.981926 -0.000000 -3.004779\n-1.509330 5.788382 -3.004779\n0.001301 0.001684 7.459401\nLi Sn Ir\n2 8 2\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.523446 0.706662 0.730108 Sn\n0.023446 0.523445 0.730108 Sn\n0.706663 0.206662 0.730109 Sn\n0.293337 0.793337 0.269891 Sn\n0.976554 0.476554 0.269891 Sn\n0.476554 0.293337 0.269891 Sn\n0.793337 0.976553 0.269891 Sn\n0.206663 0.023446 0.730109 Sn\n0.750000 0.749999 0.500000 Ir\n0.250000 0.250000 0.500000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Ir"
],
"chemical_system": "Ir-Li-Sn",
"density": 8.664305423928049,
"density_atomic": 0.04644909943521287,
"volume": 258.34731234644454,
"volume_molar": 12.965032332649791,
"formula_full": "Li2 Sn8 Ir2",
"formula_reduced": "LiSn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2417163166666667,
"spacegroup": 140
}
]
}