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&page=584",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=582",
"results": [
{
"id": "jvasp-63",
"created_at": "2022-09-04T14:37:44.062291Z",
"updated_at": "2022-09-04T14:37:44.062320Z",
"structure_string": "Te8 Mo4\n1.0\n0.000000 6.373789 -0.008478\n3.524854 0.000000 0.000000\n0.000000 -0.626136 -14.096850\nTe Mo\n8 4\ndirect\n0.583624 0.749999 0.103120 Te\n0.416376 0.250000 0.896880 Te\n0.091240 0.250000 0.147085 Te\n0.908759 0.749999 0.852915 Te\n0.565618 0.250000 0.353109 Te\n0.434381 0.749999 0.646891 Te\n0.063044 0.749999 0.396704 Te\n0.936956 0.250000 0.603297 Te\n0.180370 0.749999 0.007457 Mo\n0.819629 0.250000 0.992543 Mo\n0.320967 0.250000 0.506987 Mo\n0.679032 0.749999 0.493013 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.363814538526332,
"density_atomic": 0.03788739052531613,
"volume": 316.72806793019095,
"volume_molar": 15.894841730987096,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.234683811111111,
"spacegroup": 11
},
{
"id": "jvasp-13915",
"created_at": "2022-09-04T14:36:03.377724Z",
"updated_at": "2022-09-04T14:36:03.377737Z",
"structure_string": "H8 Se4 O16\n1.0\n4.631303 0.000000 0.000000\n0.000000 8.186476 0.000000\n0.000000 0.000000 8.353574\nH Se O\n8 4 16\ndirect\n0.695279 0.271874 0.296075 H\n0.195279 0.228127 0.703924 H\n0.304720 0.771874 0.203925 H\n0.804720 0.728127 0.796075 H\n0.241112 0.542341 0.497993 H\n0.741111 0.957660 0.502007 H\n0.758888 0.042341 0.002007 H\n0.258888 0.457659 0.997993 H\n0.188571 0.959962 0.620570 Se\n0.311429 0.040038 0.120570 Se\n0.811428 0.459962 0.879430 Se\n0.688571 0.540038 0.379430 Se\n0.930642 0.020698 0.482470 O\n0.430642 0.479302 0.517530 O\n0.546082 0.359440 0.964403 O\n0.069358 0.520698 0.017530 O\n0.453917 0.859440 0.535596 O\n0.953917 0.640561 0.464403 O\n0.963758 0.372696 0.724642 O\n0.653064 0.643516 0.828282 O\n0.036241 0.872697 0.775358 O\n0.536241 0.627304 0.224642 O\n0.463758 0.127304 0.275358 O\n0.153064 0.856485 0.171718 O\n0.569357 0.979302 0.982470 O\n0.346936 0.143516 0.671717 O\n0.046082 0.140560 0.035596 O\n0.846935 0.356485 0.328282 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se",
"density": 3.040360911202028,
"density_atomic": 0.0884067690335604,
"volume": 316.7178294839711,
"volume_molar": 6.811854822693401,
"formula_full": "H8 Se4 O16",
"formula_reduced": "H2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.539002480952381,
"spacegroup": 19
},
{
"id": "jvasp-21563",
"created_at": "2022-09-04T14:38:33.067105Z",
"updated_at": "2022-09-04T14:38:33.067140Z",
"structure_string": "Pr6 Ir2 O14\n1.0\n6.701966 -0.020303 -0.000000\n-2.503010 6.217048 -0.000000\n-0.000000 0.000000 7.609635\nPr Ir O\n6 2 14\ndirect\n0.531698 0.089395 0.250000 Pr\n0.468303 0.910606 0.750000 Pr\n0.089395 0.531698 0.250000 Pr\n0.910606 0.468303 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ir\n0.500001 0.500000 0.000000 Ir\n0.440437 0.188953 0.541602 O\n0.559564 0.811048 0.041602 O\n0.811048 0.559564 0.041602 O\n0.589756 0.589756 0.750000 O\n0.440437 0.188953 0.958397 O\n0.811048 0.559564 0.458398 O\n0.188953 0.440436 0.958397 O\n0.159623 0.897350 0.250000 O\n0.840378 0.102651 0.750000 O\n0.897350 0.159623 0.250000 O\n0.102651 0.840378 0.750000 O\n0.410245 0.410244 0.250000 O\n0.559564 0.811048 0.458398 O\n0.188953 0.440436 0.541602 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Ir",
"O"
],
"chemical_system": "Ir-O-Pr",
"density": 7.623508095280404,
"density_atomic": 0.06947082013191386,
"volume": 316.6797219066301,
"volume_molar": 8.668590277997192,
"formula_full": "Pr6 Ir2 O14",
"formula_reduced": "Pr3IrO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6733477409090907,
"spacegroup": 63
},
{
"id": "jvasp-3816",
"created_at": "2022-09-04T14:36:03.177458Z",
"updated_at": "2022-09-04T14:36:03.177490Z",
"structure_string": "P2 I6\n1.0\n3.544325 -6.138951 0.000000\n3.544325 6.138951 0.000000\n0.000000 0.000000 7.275373\nP I\n2 6\ndirect\n0.666668 0.333334 0.646689 P\n0.333334 0.666668 0.146689 P\n0.336458 0.313334 0.499770 I\n0.663543 0.686667 -0.000230 I\n0.313335 0.976877 -0.000230 I\n0.976877 0.663544 0.499770 I\n0.686667 0.023124 0.499770 I\n0.023124 0.336458 -0.000230 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"P",
"I"
],
"chemical_system": "I-P",
"density": 4.318505362733167,
"density_atomic": 0.0252683580591929,
"volume": 316.60149746411855,
"volume_molar": 23.83273478194631,
"formula_full": "P2 I6",
"formula_reduced": "PI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.49326608125,
"spacegroup": 173
},
{
"id": "jvasp-98683",
"created_at": "2022-09-04T14:36:02.770363Z",
"updated_at": "2022-09-04T14:36:02.770390Z",
"structure_string": "La2 Tm2 Ge8 Ir4\n1.0\n4.244980 -0.000000 -0.999368\n-0.982770 7.825421 -4.174480\n0.003782 -0.002869 9.531376\nLa Tm Ge Ir\n2 2 8 4\ndirect\n0.000000 0.261048 0.000000 La\n1.000000 0.738951 1.000000 La\n0.793572 0.293572 0.587144 Tm\n0.206428 0.706428 0.412856 Tm\n0.201206 0.050096 0.402413 Ge\n0.798793 0.949904 0.597587 Ge\n0.798793 0.647683 0.597587 Ge\n0.201206 0.352317 0.402413 Ge\n0.421891 0.921892 0.843783 Ge\n0.419893 0.419893 0.839786 Ge\n0.578108 0.078108 0.156217 Ge\n0.580107 0.580107 0.160214 Ge\n0.649035 0.396982 0.298069 Ir\n0.350965 0.603018 0.701931 Ir\n0.649034 0.901087 0.298069 Ir\n0.350965 0.098913 0.701931 Ir\n",
"nsites": 16,
"nelements": 4,
"elements": [
"La",
"Tm",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-La-Tm",
"density": 10.309870110898085,
"density_atomic": 0.050537534730475404,
"volume": 316.59636912109994,
"volume_molar": 11.916174368451133,
"formula_full": "La2 Tm2 Ge8 Ir4",
"formula_reduced": "LaTm(Ge2Ir)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.17697440625,
"spacegroup": 71
},
{
"id": "jvasp-57362",
"created_at": "2022-09-04T14:37:44.293704Z",
"updated_at": "2022-09-04T14:37:44.293728Z",
"structure_string": "Li2 Ga2 Mo4 O16\n1.0\n6.765386 -0.037497 0.035397\n-1.851125 6.912893 0.005432\n-2.572342 -0.813642 6.763288\nLi Ga Mo O\n2 2 4 16\ndirect\n0.227977 0.552478 0.748058 Li\n0.772025 0.447522 0.251943 Li\n0.401528 0.099438 0.318931 Ga\n0.598474 0.900561 0.681069 Ga\n0.822239 0.963956 0.220413 Mo\n0.177763 0.036043 0.779587 Mo\n0.668798 0.425140 0.711419 Mo\n0.331204 0.574859 0.288581 Mo\n0.314645 0.869079 0.728730 O\n0.908946 0.519146 0.667928 O\n0.091055 0.480854 0.332072 O\n0.885956 0.950489 0.645900 O\n0.519155 0.617204 0.651401 O\n0.114047 0.049511 0.354101 O\n0.480847 0.382796 0.348599 O\n0.685356 0.130921 0.271270 O\n0.284380 0.276083 0.738946 O\n0.582579 0.159164 0.613919 O\n0.417423 0.840836 0.386081 O\n0.251849 0.572150 0.036915 O\n0.765448 0.957231 0.963152 O\n0.234553 0.042769 0.036848 O\n0.715621 0.723915 0.261055 O\n0.748153 0.427850 0.963085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ga",
"Mo",
"O"
],
"chemical_system": "Ga-Li-Mo-O",
"density": 4.160259394127857,
"density_atomic": 0.07581697147179887,
"volume": 316.55181596019196,
"volume_molar": 7.94299830644121,
"formula_full": "Li2 Ga2 Mo4 O16",
"formula_reduced": "LiGa(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0241101770833336,
"spacegroup": 2
},
{
"id": "jvasp-59636",
"created_at": "2022-09-04T14:37:34.325920Z",
"updated_at": "2022-09-04T14:37:34.325944Z",
"structure_string": "Yb4 Mn2 S8\n1.0\n6.624928 -0.000000 3.824904\n2.208310 6.246042 3.824904\n-0.000000 -0.000000 7.649808\nYb Mn S\n4 2 8\ndirect\n0.500000 0.500000 -0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.875000 0.875000 0.874999 Mn\n0.125000 0.125000 0.125000 Mn\n0.756727 0.756726 0.756726 S\n0.243274 0.243274 0.770179 S\n0.243274 0.770179 0.243273 S\n0.770180 0.243274 0.243273 S\n0.756726 0.229820 0.756726 S\n0.229821 0.756726 0.756726 S\n0.243274 0.243274 0.243274 S\n0.756727 0.756726 0.229820 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"S"
],
"chemical_system": "Mn-S-Yb",
"density": 5.552983391251003,
"density_atomic": 0.044227402899601656,
"volume": 316.5458309134877,
"volume_molar": 13.616311076801301,
"formula_full": "Yb4 Mn2 S8",
"formula_reduced": "Yb2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4761512344827583,
"spacegroup": 227
},
{
"id": "jvasp-104619",
"created_at": "2022-09-04T14:37:09.872459Z",
"updated_at": "2022-09-04T14:37:09.872478Z",
"structure_string": "Sr2 La6\n1.0\n7.738227 -0.000000 0.000000\n-3.869113 6.701502 0.000000\n0.000000 -0.000000 6.103674\nSr La\n2 6\ndirect\n0.333334 0.666666 0.749999 Sr\n0.666667 0.333333 0.250000 Sr\n0.160803 0.321606 0.250000 La\n0.678394 0.839197 0.250000 La\n0.160803 0.839197 0.250000 La\n0.839198 0.678393 0.749999 La\n0.321607 0.160803 0.749999 La\n0.839198 0.160803 0.749999 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"La"
],
"chemical_system": "La-Sr",
"density": 5.291690911320494,
"density_atomic": 0.025274643595450386,
"volume": 316.52276202383547,
"volume_molar": 23.826807833143995,
"formula_full": "Sr2 La6",
"formula_reduced": "SrLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2866878275,
"spacegroup": 194
},
{
"id": "jvasp-55255",
"created_at": "2022-09-04T14:38:37.017142Z",
"updated_at": "2022-09-04T14:38:37.017158Z",
"structure_string": "Sr6 Y2 Rh2 O12\n1.0\n6.814586 0.004959 -0.239881\n-0.248648 6.810050 -0.239881\n0.004778 0.004959 6.818805\nSr Y Rh O\n6 2 2 12\ndirect\n0.250000 0.619773 0.880226 Sr\n0.380227 0.119773 0.750000 Sr\n0.750000 0.380227 0.119773 Sr\n0.119773 0.750000 0.380227 Sr\n0.619773 0.880227 0.250000 Sr\n0.880227 0.250000 0.619773 Sr\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.089662 0.292131 0.955910 O\n0.792132 0.589662 0.455911 O\n0.544089 0.207869 0.410338 O\n0.410338 0.544089 0.207869 O\n0.207869 0.410338 0.544089 O\n0.707869 0.044089 0.910338 O\n0.910339 0.707869 0.044089 O\n0.044089 0.910338 0.707868 O\n0.455911 0.792131 0.589661 O\n0.589662 0.455911 0.792131 O\n0.955912 0.089662 0.292131 O\n0.292131 0.955911 0.089662 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Y",
"density": 5.778790019256942,
"density_atomic": 0.06951697393486773,
"volume": 316.46947147918684,
"volume_molar": 8.662835015865767,
"formula_full": "Sr6 Y2 Rh2 O12",
"formula_reduced": "Sr3YRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7860298527272722,
"spacegroup": 167
},
{
"id": "jvasp-55278",
"created_at": "2022-09-04T14:38:15.048982Z",
"updated_at": "2022-09-04T14:38:15.049011Z",
"structure_string": "Sr6 Dy2 Rh2 O12\n1.0\n6.814803 -0.002654 -0.236975\n-0.245266 6.810388 -0.236975\n-0.002562 -0.002654 6.818921\nSr Dy Rh O\n6 2 2 12\ndirect\n0.749999 0.380250 0.119750 Sr\n0.119751 0.750001 0.380248 Sr\n0.380249 0.119752 0.750000 Sr\n0.880249 0.250001 0.619750 Sr\n0.250000 0.619752 0.880248 Sr\n0.619750 0.880250 0.249999 Sr\n0.250000 0.250000 0.250000 Dy\n0.749999 0.750001 0.749999 Dy\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500001 0.499999 Rh\n0.089673 0.292147 0.955604 O\n0.792146 0.589674 0.455604 O\n0.544395 0.207855 0.410326 O\n0.410326 0.544396 0.207853 O\n0.207854 0.410327 0.544395 O\n0.707854 0.044396 0.910326 O\n0.910326 0.707855 0.044394 O\n0.044395 0.910327 0.707853 O\n0.455604 0.792147 0.589672 O\n0.589673 0.455606 0.792145 O\n0.955604 0.089674 0.292145 O\n0.292145 0.955605 0.089672 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"Rh",
"O"
],
"chemical_system": "Dy-O-Rh-Sr",
"density": 6.551231767799278,
"density_atomic": 0.06951839261338116,
"volume": 316.4630132107709,
"volume_molar": 8.662658231313646,
"formula_full": "Sr6 Dy2 Rh2 O12",
"formula_reduced": "Sr3DyRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6212835845454543,
"spacegroup": 167
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.557680963054187,
"spacegroup": 180
},
{
"id": "jvasp-48319",
"created_at": "2022-09-04T14:35:41.795202Z",
"updated_at": "2022-09-04T14:35:41.795228Z",
"structure_string": "Li4 Mn6 F16\n1.0\n3.190908 -5.526816 0.000000\n3.190908 5.526816 -0.000000\n-0.000000 -0.000000 8.970530\nLi Mn F\n4 6 16\ndirect\n0.666667 0.333333 0.458773 Li\n0.666667 0.333333 0.094894 Li\n0.333333 0.666667 0.958773 Li\n0.333333 0.666667 0.594894 Li\n0.669997 0.834999 0.254083 Mn\n0.834999 0.165002 0.754083 Mn\n0.165002 0.330003 0.254083 Mn\n0.834999 0.669997 0.754083 Mn\n0.330003 0.165002 0.754083 Mn\n0.165002 0.834999 0.254083 Mn\n0.825534 0.174466 0.357614 F\n0.333333 0.666667 0.380852 F\n0.174466 0.348932 0.857614 F\n0.486212 0.972423 0.121247 F\n0.027577 0.513789 0.121247 F\n0.174466 0.825534 0.857614 F\n0.972423 0.486212 0.621247 F\n0.666667 0.333333 0.880852 F\n0.825534 0.651068 0.357614 F\n0.000000 0.000000 0.132818 F\n0.000000 0.000000 0.632818 F\n0.486212 0.513789 0.121247 F\n0.513789 0.486212 0.621247 F\n0.348932 0.174466 0.357614 F\n0.513789 0.027577 0.621247 F\n0.651068 0.825534 0.857614 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4709954792875326,
"density_atomic": 0.08217428999075493,
"volume": 316.4006650124406,
"volume_molar": 7.3284974663943245,
"formula_full": "Li4 Mn6 F16",
"formula_reduced": "Li2Mn3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.0217633833952255,
"spacegroup": 186
}
]
}