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=nelements&page=4043",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4041",
"results": [
{
"id": "jvasp-60090",
"created_at": "2022-09-04T14:38:36.628018Z",
"updated_at": "2022-09-04T14:38:36.628029Z",
"structure_string": "Zn12 Si12 Sb8 O48\n1.0\n10.074197 -0.000000 -3.561767\n-5.037098 8.724511 -3.561767\n0.000000 0.000000 10.685299\nZn Si Sb O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.124999 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n-0.000000 -0.000000 0.500000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.975667 0.705175 0.105999 O\n0.869667 0.394000 0.099175 O\n0.770493 0.400825 0.794825 O\n0.770493 0.869667 0.975666 O\n0.400825 0.794825 0.770493 O\n0.394000 0.794825 0.524333 O\n0.794825 0.770493 0.400825 O\n0.729507 0.705175 0.099175 O\n0.705175 0.106000 0.975667 O\n0.630333 0.729507 0.524333 O\n0.099175 0.869667 0.394000 O\n0.729507 0.524333 0.630333 O\n0.394000 0.099175 0.869667 O\n0.106000 0.975667 0.705175 O\n0.630333 0.400825 0.106000 O\n0.524333 0.394000 0.794825 O\n0.869667 0.975667 0.770492 O\n0.400825 0.106000 0.630333 O\n0.794825 0.524333 0.394000 O\n0.975667 0.770493 0.869666 O\n0.099175 0.729507 0.705175 O\n0.524333 0.630333 0.729507 O\n0.270493 0.294825 0.900825 O\n0.205175 0.229507 0.599175 O\n0.369667 0.270493 0.475667 O\n0.270493 0.475667 0.369667 O\n0.024333 0.294825 0.894000 O\n0.130333 0.606000 0.900825 O\n0.229507 0.599175 0.205175 O\n0.229507 0.130333 0.024333 O\n0.599175 0.205175 0.229507 O\n0.606000 0.205175 0.475667 O\n0.705175 0.099175 0.729507 O\n0.894000 0.369667 0.599175 O\n0.294825 0.900825 0.270493 O\n0.900825 0.270493 0.294825 O\n0.024333 0.229507 0.130333 O\n0.205175 0.475667 0.606000 O\n0.599175 0.894000 0.369666 O\n0.130333 0.024333 0.229507 O\n0.475667 0.606000 0.205175 O\n0.369667 0.599175 0.894000 O\n0.894000 0.024333 0.294825 O\n0.606000 0.900825 0.130333 O\n0.106000 0.630333 0.400825 O\n0.900825 0.130333 0.606000 O\n0.294825 0.894000 0.024333 O\n0.475667 0.369667 0.270493 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si-Zn",
"density": 5.06385957503001,
"density_atomic": 0.08518277304014844,
"volume": 939.1570284087172,
"volume_molar": 7.069669776025767,
"formula_full": "Zn12 Si12 Sb8 O48",
"formula_reduced": "Zn3Si3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.23272106,
"spacegroup": 230
},
{
"id": "jvasp-24951",
"created_at": "2022-09-04T14:38:30.798672Z",
"updated_at": "2022-09-04T14:38:30.798687Z",
"structure_string": "Rb2 Na1 Fe1 F6\n1.0\n5.113146 -0.000000 2.952076\n1.704382 4.820720 2.952076\n0.000000 0.000000 5.904153\nRb Na Fe F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.226228 0.773771 0.773772 F\n0.226228 0.773771 0.226229 F\n0.773772 0.226229 0.773771 F\n0.226229 0.226229 0.773771 F\n0.773772 0.226229 0.226229 F\n0.773772 0.773771 0.226229 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na-Rb",
"density": 4.1505655381611755,
"density_atomic": 0.06871353566582634,
"volume": 145.53173407686182,
"volume_molar": 8.764125876577506,
"formula_full": "Rb2 Na1 Fe1 F6",
"formula_reduced": "Rb2NaFeF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55180",
"created_at": "2022-09-04T14:38:35.641641Z",
"updated_at": "2022-09-04T14:38:35.641664Z",
"structure_string": "Cu4 Te4 Cl4 O10\n1.0\n7.602315 -0.000000 -0.000000\n0.000000 7.602315 0.000000\n-0.000000 0.000000 6.382054\nCu Te Cl O\n4 4 4 10\ndirect\n0.452007 0.735388 0.844158 Cu\n0.547994 0.264612 0.844158 Cu\n0.735388 0.547994 0.155842 Cu\n0.264612 0.452007 0.155842 Cu\n0.654008 0.169905 0.359221 Te\n0.169905 0.345993 0.640778 Te\n0.830096 0.654008 0.640778 Te\n0.345993 0.830096 0.359221 Te\n0.093252 0.213352 0.195662 Cl\n0.906749 0.786649 0.195662 Cl\n0.786649 0.093252 0.804338 Cl\n0.213352 0.906749 0.804338 Cl\n0.668051 0.591400 0.862412 O\n0.500000 0.000000 0.214240 O\n0.331949 0.408601 0.862412 O\n0.529853 0.774376 0.554668 O\n0.774376 0.470147 0.445331 O\n0.470147 0.225625 0.554668 O\n0.408601 0.668051 0.137588 O\n-0.000000 0.500000 0.785759 O\n0.225625 0.529853 0.445331 O\n0.591400 0.331949 0.137588 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Te",
"density": 4.800792836673395,
"density_atomic": 0.05964451139872225,
"volume": 368.8520449590153,
"volume_molar": 10.09672242889563,
"formula_full": "Cu4 Te4 Cl4 O10",
"formula_reduced": "Cu2Te2Cl2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 1.375415642575757,
"spacegroup": 81
},
{
"id": "jvasp-54489",
"created_at": "2022-09-04T14:38:36.657705Z",
"updated_at": "2022-09-04T14:38:36.657733Z",
"structure_string": "Ba2 Ho1 Cu3 O6\n1.0\n3.872130 0.000000 0.000000\n-0.000000 3.872130 -0.000000\n0.000000 0.000000 12.065327\nBa Ho Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.802162 Ba\n0.500000 0.500000 0.197838 Ba\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.369640 Cu\n0.000000 0.000000 0.630358 Cu\n0.000000 0.000000 -0.000001 Cu\n0.500000 0.000000 0.381905 O\n0.000000 0.000000 0.150073 O\n0.500000 0.000000 0.618094 O\n0.000000 0.500000 0.618094 O\n0.000000 0.500000 0.381905 O\n0.000000 0.000000 0.849930 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Ho-O",
"density": 6.666188363758835,
"density_atomic": 0.0663349322745681,
"volume": 180.90016207946945,
"volume_molar": 9.078385329578161,
"formula_full": "Ba2 Ho1 Cu3 O6",
"formula_reduced": "Ba2Ho(CuO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.2577383213888889,
"spacegroup": 123
},
{
"id": "jvasp-112668",
"created_at": "2022-09-04T14:38:43.191355Z",
"updated_at": "2022-09-04T14:38:43.191381Z",
"structure_string": "Li4 Co1 Te1 O6\n1.0\n5.106866 0.002294 0.911144\n-2.762661 4.295090 0.911144\n-0.000811 -0.001486 5.141744\nLi Co Te O\n4 1 1 6\ndirect\n0.825427 0.174572 0.499999 Li\n0.173703 0.826296 0.499999 Li\n0.501565 0.498434 0.499999 Li\n0.666044 0.333956 -0.000001 Li\n0.334814 0.665186 -0.000001 Co\n-0.000441 0.000441 -0.000000 Te\n0.084057 0.393334 0.763287 O\n0.386356 0.071204 0.762569 O\n0.928795 0.613643 0.237430 O\n0.606666 0.915942 0.236711 O\n0.230589 0.237572 0.227259 O\n0.762428 0.769410 0.772739 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Co",
"Te",
"O"
],
"chemical_system": "Co-Li-O-Te",
"density": 4.566737388663542,
"density_atomic": 0.10635682780880072,
"volume": 112.82773515558947,
"volume_molar": 5.6622041894913355,
"formula_full": "Li4 Co1 Te1 O6",
"formula_reduced": "Li4CoTeO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 2.033468305555556,
"spacegroup": 5
},
{
"id": "jvasp-106285",
"created_at": "2022-09-04T14:38:38.340029Z",
"updated_at": "2022-09-04T14:38:38.340053Z",
"structure_string": "Ba2 Pr1 Ta1 O6\n1.0\n5.284748 -0.001873 3.059635\n1.751894 4.985925 3.059635\n-0.008856 -0.006273 6.179635\nBa Pr Ta O\n2 1 1 6\ndirect\n0.751647 0.751648 0.743036 Ba\n0.248352 0.248352 0.256962 Ba\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500000 0.499999 Ta\n0.696200 0.232211 0.308648 O\n0.303799 0.767789 0.691351 O\n0.767788 0.303800 0.691350 O\n0.232210 0.696200 0.308648 O\n0.728353 0.728354 0.205687 O\n0.271645 0.271647 0.794311 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ta",
"O"
],
"chemical_system": "Ba-O-Pr-Ta",
"density": 7.052526880066364,
"density_atomic": 0.06132988579624215,
"volume": 163.05264342450036,
"volume_molar": 9.819259699924295,
"formula_full": "Ba2 Pr1 Ta1 O6",
"formula_reduced": "Ba2PrTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.349223199,
"spacegroup": 12
},
{
"id": "jvasp-110335",
"created_at": "2022-09-04T14:38:38.368950Z",
"updated_at": "2022-09-04T14:38:38.368970Z",
"structure_string": "Na2 Li1 Y1 F6\n1.0\n5.056617 0.000000 2.919439\n1.685539 4.767424 2.919439\n-0.000000 -0.000000 5.838878\nNa Li Y F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.740000 0.260001 0.260001 F\n0.260001 0.260001 0.739999 F\n0.260001 0.739999 0.740000 F\n0.260001 0.739999 0.260001 F\n0.740000 0.260001 0.739999 F\n0.740000 0.739999 0.260001 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Y",
"F"
],
"chemical_system": "F-Li-Na-Y",
"density": 3.017900609952523,
"density_atomic": 0.0710438944111722,
"volume": 140.75804941272227,
"volume_molar": 8.47664786666449,
"formula_full": "Na2 Li1 Y1 F6",
"formula_reduced": "Na2LiYF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Yb",
"Rb",
"Zn",
"Te"
],
"chemical_system": "Rb-Te-Yb-Zn",
"density": 5.738151505640678,
"density_atomic": 0.02933788138143814,
"volume": 409.0274905669334,
"volume_molar": 20.52684269086371,
"formula_full": "Rb2 Yb2 Zn2 Te6",
"formula_reduced": "RbYbZnTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-112033",
"created_at": "2022-09-04T14:38:43.200494Z",
"updated_at": "2022-09-04T14:38:43.200518Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.695350 -0.019468 -0.078754\n0.487572 7.491464 2.563233\n-0.369587 -0.272098 10.474797\nH C S O\n4 12 4 4\ndirect\n0.237933 0.419412 0.267036 H\n0.237934 0.919412 0.767036 H\n0.218374 0.251142 0.091843 H\n0.218374 0.751142 0.591843 H\n0.020442 0.779065 0.296969 C\n0.020444 0.279065 0.796969 C\n0.861357 0.949014 0.319798 C\n0.861357 0.449014 0.819799 C\n0.952463 0.646233 0.115900 C\n0.952463 0.146233 0.615900 C\n0.938311 0.484594 0.946652 C\n0.105685 0.885861 0.570128 C\n0.105686 0.385861 0.070128 C\n0.117049 0.976483 0.666416 C\n0.117049 0.476483 0.166416 C\n0.938310 0.984593 0.446652 C\n0.782755 0.694832 0.950578 S\n0.782754 0.194833 0.450579 S\n0.296339 0.128183 0.902218 S\n0.296337 0.628183 0.402218 S\n0.893143 0.779716 0.171399 O\n0.664023 0.555976 0.728808 O\n0.664024 0.055976 0.228809 O\n0.893143 0.279717 0.671399 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.9327857336999672,
"density_atomic": 0.08206040308555071,
"volume": 292.46748855205107,
"volume_molar": 7.338668265767251,
"formula_full": "H4 C12 S4 O4",
"formula_reduced": "HC3SO",
"formula_anonymous": "ABCD3",
"energy_above_hull": 4.6087455833333335,
"spacegroup": 1
},
{
"id": "jvasp-112044",
"created_at": "2022-09-04T14:38:43.402018Z",
"updated_at": "2022-09-04T14:38:43.402048Z",
"structure_string": "Ti1 H18 C11 O4\n1.0\n5.850948 -0.058875 -1.646690\n-0.843690 6.638838 0.019932\n-0.307167 -0.105665 7.862661\nTi H C O\n1 18 11 4\ndirect\n-0.045691 0.508259 0.090264 Ti\n0.593274 0.013455 0.260629 H\n0.039491 0.052734 0.533159 H\n0.593279 0.724360 -0.035360 H\n0.822804 0.829965 0.872504 H\n0.298727 0.073360 0.876936 H\n0.202398 0.287083 0.765854 H\n0.109489 0.184861 0.251642 H\n0.461022 0.415965 0.472420 H\n0.305171 0.122381 0.492182 H\n0.330021 0.289837 0.151742 H\n0.166912 0.739189 0.670253 H\n0.456223 0.819568 0.671537 H\n0.710844 0.786053 0.324328 H\n0.650544 -0.063237 0.486889 H\n0.060477 0.140690 0.016321 H\n0.843393 0.897459 0.100553 H\n0.667629 0.254687 0.466643 H\n0.759102 0.515911 0.506415 H\n0.228679 0.049512 0.588763 C\n0.317824 0.171141 0.769240 C\n0.642434 0.390175 0.533471 C\n0.589187 0.883826 0.345785 C\n0.271739 0.825821 0.596504 C\n0.701588 0.375224 0.731337 C\n0.215502 0.730118 0.412316 C\n0.562545 0.283028 0.831682 C\n0.144028 0.245234 0.131799 C\n0.778965 0.781718 0.991964 C\n0.350353 0.768006 0.298112 C\n0.017141 0.604597 0.339311 O\n0.255279 0.681262 0.135388 O\n0.901988 0.476133 0.830618 O\n0.656859 0.324905 0.005927 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.4435323979039851,
"density_atomic": 0.11275804747947489,
"volume": 301.5305848231271,
"volume_molar": 5.340763603676446,
"formula_full": "Ti1 H18 C11 O4",
"formula_reduced": "TiH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.782827421568627,
"spacegroup": 1
},
{
"id": "jvasp-59918",
"created_at": "2022-09-04T14:38:35.623969Z",
"updated_at": "2022-09-04T14:38:35.623999Z",
"structure_string": "Ba4 Cu2 Sn4 F28\n1.0\n5.321454 -0.012852 0.017815\n-2.642943 7.220905 -0.009967\n-0.056134 -0.652454 15.416500\nBa Cu Sn F\n4 2 4 28\ndirect\n0.743834 0.636792 0.375104 Ba\n0.892642 0.636900 0.875112 Ba\n0.254708 0.361228 0.624166 Ba\n0.106406 0.361351 0.124155 Ba\n0.499554 0.999053 0.999652 Cu\n0.499088 0.998887 0.499642 Cu\n0.857155 0.761913 0.128742 Sn\n0.142025 0.236340 0.870592 Sn\n0.904485 0.761805 0.628729 Sn\n0.093803 0.236270 0.370615 Sn\n0.004239 0.360284 0.777636 F\n0.267227 0.160477 0.984311 F\n0.063792 0.979995 0.340711 F\n0.731903 0.837659 0.015000 F\n0.892804 0.160319 0.484311 F\n0.480101 0.112824 0.604775 F\n0.813357 0.257397 0.292974 F\n0.642823 0.637935 0.721683 F\n0.105370 0.837502 0.514992 F\n0.366543 0.885114 0.894524 F\n0.083563 0.018195 0.158544 F\n0.857508 0.281492 0.947236 F\n0.443432 0.257305 0.792939 F\n-0.005080 0.637983 0.221709 F\n0.646866 0.499966 0.084215 F\n0.555726 0.740962 0.206386 F\n0.852783 0.499832 0.584226 F\n0.355473 0.360263 0.277681 F\n0.915604 0.980083 0.840743 F\n0.141637 0.716728 0.052090 F\n0.632599 0.113017 0.104777 F\n0.517977 0.884954 0.394503 F\n0.145515 0.498141 0.415256 F\n0.423524 0.281289 0.447246 F\n0.574781 0.716652 0.552068 F\n0.934440 0.018107 0.658542 F\n0.184977 0.740881 0.706411 F\n0.352305 0.498233 0.915175 F\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Sn",
"F"
],
"chemical_system": "Ba-Cu-F-Sn",
"density": 4.7223427306074575,
"density_atomic": 0.0642033213493689,
"volume": 591.8696914949171,
"volume_molar": 9.379796299368858,
"formula_full": "Ba4 Cu2 Sn4 F28",
"formula_reduced": "Ba2CuSn2F14",
"formula_anonymous": "AB2C2D14",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-19394",
"created_at": "2022-09-04T14:38:35.643485Z",
"updated_at": "2022-09-04T14:38:35.643514Z",
"structure_string": "Mg4 Ta2 Bi2 O12\n1.0\n0.000000 5.570423 0.000165\n7.957489 0.000000 0.000000\n0.000000 -0.327847 -5.587828\nMg Ta Bi O\n4 2 2 12\ndirect\n0.970857 0.250000 0.018269 Mg\n0.473098 0.250000 0.477494 Mg\n0.526901 0.750000 0.522505 Mg\n0.029142 0.750000 0.981731 Mg\n0.500000 0.000000 -0.000000 Ta\n0.500000 0.500000 -0.000000 Ta\n-0.000000 0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.180376 0.071823 0.876230 O\n0.126344 0.250000 0.350476 O\n0.819623 0.928177 0.123770 O\n0.632762 0.072841 0.693464 O\n0.367237 0.572841 0.306536 O\n0.632762 0.427159 0.693464 O\n0.367237 0.927159 0.306536 O\n0.180376 0.428177 0.876230 O\n0.873655 0.750000 0.649524 O\n0.819623 0.571823 0.123770 O\n0.405713 0.750000 0.868558 O\n0.594286 0.250000 0.131442 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ta",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Ta",
"density": 7.167182827704488,
"density_atomic": 0.08074646130725709,
"volume": 247.68887300083455,
"volume_molar": 7.458086289483947,
"formula_full": "Mg4 Ta2 Bi2 O12",
"formula_reduced": "Mg2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1917842599999995,
"spacegroup": 11
}
]
}