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=331",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=329",
"results": [
{
"id": "jvasp-54642",
"created_at": "2022-09-04T14:37:09.010896Z",
"updated_at": "2022-09-04T14:37:09.010916Z",
"structure_string": "Tb12 Ni4\n1.0\n6.275412 -0.000000 0.000000\n0.000000 6.807285 0.000000\n0.000000 0.000000 9.561384\nTb Ni\n12 4\ndirect\n0.141447 0.031423 0.250000 Tb\n0.641447 0.468577 0.750000 Tb\n0.323913 0.820907 0.565036 Tb\n0.676087 0.179092 0.434963 Tb\n0.358553 0.531422 0.250000 Tb\n0.858553 0.968577 0.750000 Tb\n0.823912 0.679091 0.065036 Tb\n0.676087 0.179092 0.065036 Tb\n0.323913 0.820907 0.934963 Tb\n0.823912 0.679091 0.434963 Tb\n0.176087 0.320908 0.934963 Tb\n0.176087 0.320908 0.565036 Tb\n0.560396 0.888995 0.250000 Ni\n0.060396 0.611004 0.750000 Ni\n0.439603 0.111004 0.750000 Ni\n0.939603 0.388995 0.250000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ni"
],
"chemical_system": "Ni-Tb",
"density": 8.707767988382205,
"density_atomic": 0.0391726583464895,
"volume": 408.4481542834546,
"volume_molar": 15.373326739107254,
"formula_full": "Tb12 Ni4",
"formula_reduced": "Tb3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2599719,
"spacegroup": 62
},
{
"id": "jvasp-28653",
"created_at": "2022-09-04T14:36:52.499275Z",
"updated_at": "2022-09-04T14:36:52.499301Z",
"structure_string": "Te6 Mo3 W1 S2\n1.0\n3.466957 -0.000000 0.000000\n-1.733479 3.002498 0.000112\n0.000000 0.001647 39.225524\nTe Mo W S\n6 3 1 2\ndirect\n0.333402 0.666803 0.328942 Te\n0.333376 0.666752 0.704912 Te\n0.666512 0.333022 0.422409 Te\n0.666597 0.333191 0.516730 Te\n0.333472 0.666944 0.234048 Te\n0.333460 0.666922 0.610611 Te\n0.333261 0.666523 0.094046 Mo\n0.333223 0.666445 0.469572 Mo\n0.666748 0.333495 0.657811 Mo\n0.666772 0.333544 0.281519 W\n0.666676 0.333350 0.056124 S\n0.666509 0.333017 0.132024 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.292448339716412,
"density_atomic": 0.029388763286468868,
"volume": 408.3193254179914,
"volume_molar": 20.49130377246159,
"formula_full": "Te6 Mo3 W1 S2",
"formula_reduced": "Te6Mo3WS2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.550932025,
"spacegroup": 156
},
{
"id": "jvasp-21551",
"created_at": "2022-09-04T14:38:32.615413Z",
"updated_at": "2022-09-04T14:38:32.615435Z",
"structure_string": "K8 Be4 F16\n1.0\n5.655905 0.000000 0.000000\n0.000000 7.316127 0.000000\n0.000000 0.000000 9.866943\nK Be F\n8 4 16\ndirect\n0.254058 0.486376 0.808706 K\n0.754058 0.513624 0.191294 K\n0.754058 0.013624 0.308706 K\n0.254058 0.986376 0.691294 K\n0.254064 0.657407 0.408045 K\n0.754063 0.342593 0.591954 K\n0.754063 0.842593 0.908045 K\n0.254064 0.157407 0.091955 K\n0.254020 0.233434 0.419890 Be\n0.754020 0.766567 0.580110 Be\n0.754020 0.266567 0.919889 Be\n0.254020 0.733434 0.080110 Be\n0.754113 0.690437 0.430621 F\n0.254114 0.309564 0.569379 F\n0.253953 0.520143 0.084816 F\n0.753953 0.479857 0.915183 F\n0.753953 0.979857 0.584816 F\n0.253953 0.020143 0.415183 F\n0.028361 0.810077 0.152618 F\n0.979628 0.189986 0.847291 F\n0.528361 0.689924 0.652618 F\n0.028361 0.310077 0.347382 F\n0.479628 0.310014 0.347291 F\n0.979628 0.689987 0.652709 F\n0.754113 0.190437 0.069379 F\n0.479628 0.810014 0.152709 F\n0.528361 0.189924 0.847382 F\n0.254114 0.809564 0.930621 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Be",
"F"
],
"chemical_system": "Be-F-K",
"density": 2.6550313575616817,
"density_atomic": 0.06857914559280137,
"volume": 408.2873847139196,
"volume_molar": 8.781300361712487,
"formula_full": "K8 Be4 F16",
"formula_reduced": "K2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-41031",
"created_at": "2022-09-04T14:37:48.360978Z",
"updated_at": "2022-09-04T14:37:48.360996Z",
"structure_string": "Nd8 Al8\n1.0\n5.759827 0.000000 0.000000\n-0.000000 5.988405 0.000000\n0.000000 0.000000 11.836011\nNd Al\n8 8\ndirect\n0.250000 0.163194 0.010521 Nd\n0.250000 0.403517 0.333234 Nd\n0.250000 0.836805 0.510521 Nd\n0.250000 0.596482 0.833234 Nd\n0.750000 0.403517 0.166766 Nd\n0.750000 0.163194 0.489479 Nd\n0.750000 0.596482 0.666766 Nd\n0.750000 0.836805 0.989479 Nd\n0.000000 0.927647 0.250000 Al\n0.000000 0.072352 0.750000 Al\n0.250000 0.665772 0.100931 Al\n0.250000 0.334227 0.600931 Al\n0.500000 0.927647 0.250000 Al\n0.500000 0.072352 0.750000 Al\n0.750000 0.665772 0.399069 Al\n0.750000 0.334227 0.899069 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 5.57155714071002,
"density_atomic": 0.03919169249704312,
"volume": 408.2497840889914,
"volume_molar": 15.365860406396967,
"formula_full": "Nd8 Al8",
"formula_reduced": "NdAl",
"formula_anonymous": "AB",
"energy_above_hull": 0.8941971500000001,
"spacegroup": 57
},
{
"id": "jvasp-113019",
"created_at": "2022-09-04T14:38:44.789321Z",
"updated_at": "2022-09-04T14:38:44.789342Z",
"structure_string": "K2 Cd2 P6 O18\n1.0\n6.806659 -0.000000 0.000000\n-3.403329 5.894740 0.000000\n-0.000000 -0.000000 10.174247\nK Cd P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 -0.000000 Cd\n0.666667 0.333333 0.500000 Cd\n0.062533 0.433541 0.750000 P\n0.062533 0.628993 0.250000 P\n0.566459 0.628993 0.750000 P\n0.566459 0.937467 0.250000 P\n0.371007 0.433541 0.250000 P\n0.371007 0.937467 0.750000 P\n0.380928 0.054275 0.876662 O\n0.301838 0.864062 0.250000 O\n0.135938 0.698162 0.750000 O\n0.562224 0.698162 0.250000 O\n0.135938 0.437776 0.250000 O\n0.673347 0.619072 0.876662 O\n0.673347 0.619072 0.623338 O\n0.673347 0.054275 0.376662 O\n0.945725 0.326653 0.623338 O\n0.380928 0.054275 0.623338 O\n0.380928 0.326653 0.376662 O\n0.673347 0.054275 0.123338 O\n0.562224 0.864062 0.750000 O\n0.945725 0.619072 0.376662 O\n0.380928 0.326653 0.123338 O\n0.945725 0.619072 0.123338 O\n0.945725 0.326653 0.876662 O\n0.301838 0.437776 0.750000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-K-O-P",
"density": 3.159988851930981,
"density_atomic": 0.0685894161922592,
"volume": 408.22624764023,
"volume_molar": 8.779985447200296,
"formula_full": "K2 Cd2 P6 O18",
"formula_reduced": "KCd(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.2982575535714287,
"spacegroup": 188
},
{
"id": "jvasp-51948",
"created_at": "2022-09-04T14:37:29.725894Z",
"updated_at": "2022-09-04T14:37:29.725918Z",
"structure_string": "Ta4 Sb4 O16\n1.0\n6.229951 0.000000 0.000000\n0.000000 6.262270 0.000000\n0.000000 0.000000 10.460218\nTa Sb O\n4 4 16\ndirect\n0.750000 0.995947 0.000000 Ta\n0.250000 0.004053 0.000000 Ta\n0.750000 0.504053 0.500000 Ta\n0.250000 0.495947 0.500000 Ta\n0.982667 0.750000 0.750000 Sb\n0.517333 0.750000 0.250000 Sb\n0.017333 0.250000 0.250000 Sb\n0.482667 0.250000 0.750000 Sb\n0.755069 0.546388 0.312073 O\n0.516617 0.292976 0.519882 O\n0.244931 0.046388 0.812073 O\n0.255069 0.453612 0.312073 O\n0.016617 0.792976 0.980118 O\n0.983382 0.207024 0.019882 O\n0.255069 0.046388 0.187927 O\n0.744930 0.953612 0.812073 O\n0.244931 0.453612 0.687927 O\n0.516617 0.207024 0.980118 O\n0.016617 0.707024 0.519882 O\n0.755069 0.953612 0.187927 O\n0.983382 0.292976 0.480118 O\n0.483383 0.707024 0.480118 O\n0.483383 0.792976 0.019882 O\n0.744930 0.546388 0.687927 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ta",
"Sb",
"O"
],
"chemical_system": "O-Sb-Ta",
"density": 5.968556836428369,
"density_atomic": 0.05881039369597624,
"volume": 408.0911296746184,
"volume_molar": 10.23992594086652,
"formula_full": "Ta4 Sb4 O16",
"formula_reduced": "TaSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.961579883333333,
"spacegroup": 52
},
{
"id": "jvasp-119018",
"created_at": "2022-09-04T14:38:51.129525Z",
"updated_at": "2022-09-04T14:38:51.129550Z",
"structure_string": "Er10 Sb2 Au4\n1.0\n7.053818 0.007280 -4.820218\n-1.961317 6.775665 -4.820218\n-0.005465 -0.007280 8.543466\nEr Sb Au\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 -0.000000 Er\n0.010189 0.510189 0.807696 Er\n0.702493 0.202493 0.192304 Er\n0.510189 0.702493 0.499999 Er\n0.202493 0.010190 0.500000 Er\n0.989810 0.489810 0.192303 Er\n0.297506 0.797506 0.807696 Er\n0.489810 0.297506 0.500000 Er\n0.797506 0.989810 0.499999 Er\n0.750000 0.750000 -0.000001 Sb\n0.250000 0.250000 -0.000000 Sb\n0.639363 0.139363 0.778726 Au\n0.360636 0.860636 0.221273 Au\n0.139363 0.360636 0.500000 Au\n0.860636 0.639363 0.499999 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Sb",
"Au"
],
"chemical_system": "Au-Er-Sb",
"density": 11.006221345467374,
"density_atomic": 0.039219879132416716,
"volume": 407.95638216986225,
"volume_molar": 15.354817233545406,
"formula_full": "Er10 Sb2 Au4",
"formula_reduced": "Er5SbAu2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.251942655,
"spacegroup": 140
},
{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.589273700884197,
"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
"volume_molar": 17.54775020894547,
"formula_full": "Sr4 Ge2 Se8",
"formula_reduced": "Sr2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6581988623809525,
"spacegroup": 40
},
{
"id": "jvasp-63374",
"created_at": "2022-09-04T14:36:11.363404Z",
"updated_at": "2022-09-04T14:36:11.363429Z",
"structure_string": "Zr12 As8\n1.0\n3.771715 0.000000 0.000000\n0.000000 10.190909 0.000000\n0.000000 0.000000 10.613143\nZr As\n12 8\ndirect\n0.750001 0.124785 0.044995 Zr\n0.750001 0.705274 0.715304 Zr\n0.250000 0.205274 0.784696 Zr\n0.750001 0.794726 0.215304 Zr\n0.250000 0.932703 0.623650 Zr\n0.750001 0.432703 0.876350 Zr\n0.250000 0.294726 0.284696 Zr\n0.250000 0.567297 0.123650 Zr\n0.750001 0.375215 0.544995 Zr\n0.250000 0.875215 0.955004 Zr\n0.250000 0.624785 0.455004 Zr\n0.750001 0.067297 0.376350 Zr\n0.750001 0.000885 0.805713 As\n0.750001 0.680119 0.972148 As\n0.250000 0.180119 0.527851 As\n0.250000 0.319881 0.027851 As\n0.750001 0.819881 0.472149 As\n0.250000 0.999115 0.194286 As\n0.750001 0.499115 0.305713 As\n0.250000 0.500885 0.694286 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.895762291278173,
"density_atomic": 0.04902687221134944,
"volume": 407.93954616933763,
"volume_molar": 12.283346843011351,
"formula_full": "Zr12 As8",
"formula_reduced": "Zr3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.531211400000001,
"spacegroup": 62
},
{
"id": "jvasp-106206",
"created_at": "2022-09-04T14:36:52.666287Z",
"updated_at": "2022-09-04T14:36:52.666310Z",
"structure_string": "K2 In1 Ag1 I6\n1.0\n7.209311 -0.000000 4.162298\n2.403104 6.797004 4.162298\n-0.000000 -0.000000 8.324596\nK In Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 Ag\n0.749864 0.250135 0.250136 I\n0.250135 0.250135 0.749865 I\n0.250135 0.749864 0.749866 I\n0.250135 0.749864 0.250136 I\n0.749864 0.250135 0.749865 I\n0.749864 0.749864 0.250136 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Ag",
"I"
],
"chemical_system": "Ag-I-In-K",
"density": 4.324399012602104,
"density_atomic": 0.02451464156494647,
"volume": 407.9194865446868,
"volume_molar": 24.5654856671903,
"formula_full": "K2 In1 Ag1 I6",
"formula_reduced": "K2InAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112055",
"created_at": "2022-09-04T14:38:43.039837Z",
"updated_at": "2022-09-04T14:38:43.039857Z",
"structure_string": "H14 C22 S2 N2 O2\n1.0\n3.816128 -0.006858 0.305261\n0.562246 9.661233 3.580738\n0.009086 0.033981 11.075707\nH C S N O\n14 22 2 2 2\ndirect\n0.178533 0.227534 0.666049 H\n0.103380 0.832839 0.432324 H\n0.624469 0.082110 0.723569 H\n0.625694 0.582376 0.723478 H\n0.542484 0.186216 0.492372 H\n0.543803 0.686479 0.492279 H\n0.930090 0.644470 0.891256 H\n0.102098 0.332549 0.432397 H\n0.507321 0.370559 0.057361 H\n0.507096 0.870467 0.057354 H\n0.458518 0.274413 0.306746 H\n0.458068 0.774265 0.306733 H\n0.179644 0.727760 0.665980 H\n0.929822 0.144497 0.891260 H\n0.914094 0.899584 0.711494 C\n0.825103 0.519883 0.441816 C\n0.825132 0.019916 0.441822 C\n0.962118 0.358144 0.852213 C\n0.040177 0.828684 0.628344 C\n0.039611 0.328568 0.628377 C\n0.998068 0.388613 0.495745 C\n0.998700 0.888763 0.495711 C\n0.914167 0.399601 0.711487 C\n0.962021 0.858133 0.852220 C\n0.683446 0.085984 0.528402 C\n0.792441 0.593645 0.304189 C\n0.730308 0.028311 0.658759 C\n0.730985 0.528452 0.658708 C\n0.792533 0.093705 0.304196 C\n0.842637 0.189029 0.062627 C\n0.842656 0.688990 0.062624 C\n0.611186 0.220364 0.250321 C\n0.610975 0.720275 0.250311 C\n0.636455 0.273788 0.115201 C\n0.636317 0.773717 0.115192 C\n0.684112 0.586113 0.528352 C\n0.999054 0.539949 0.181802 S\n0.998980 0.039972 0.181805 S\n0.929389 0.221569 0.930042 N\n0.929487 0.721547 0.930042 N\n0.003414 0.450188 0.898188 O\n0.003092 0.950197 0.898195 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6385025372191964,
"density_atomic": 0.1029659319089469,
"volume": 407.90190717781036,
"volume_molar": 5.848673098326734,
"formula_full": "H14 C22 S2 N2 O2",
"formula_reduced": "H7C11SNO",
"formula_anonymous": "ABCD7E11",
"energy_above_hull": 5.661766035714286,
"spacegroup": 1
},
{
"id": "jvasp-57498",
"created_at": "2022-09-04T14:37:10.499720Z",
"updated_at": "2022-09-04T14:37:10.499747Z",
"structure_string": "Sr4 Ho8 O16\n1.0\n3.404186 0.000000 0.000000\n0.000000 10.060488 0.000000\n0.000000 0.000000 11.909238\nSr Ho O\n4 8 16\ndirect\n0.250000 0.747882 0.149965 Sr\n0.250000 0.247882 0.350035 Sr\n0.750001 0.752118 0.649965 Sr\n0.750001 0.252118 0.850036 Sr\n0.250000 0.577777 0.388386 Ho\n0.250000 0.576772 0.889532 Ho\n0.750001 0.923229 0.389532 Ho\n0.750001 0.922223 0.888386 Ho\n0.750001 0.422223 0.611614 Ho\n0.250000 0.077777 0.111614 Ho\n0.750001 0.423228 0.110468 Ho\n0.250000 0.076772 0.610468 Ho\n0.750001 0.211895 0.174509 O\n0.750001 0.425707 0.422293 O\n0.250000 0.985467 0.283375 O\n0.250000 0.788106 0.825491 O\n0.750001 0.711895 0.325491 O\n0.250000 0.874090 0.519554 O\n0.750001 0.925708 0.077707 O\n0.750001 0.125910 0.480446 O\n0.750001 0.625911 0.019554 O\n0.750001 0.014534 0.716625 O\n0.750001 0.514534 0.783376 O\n0.250000 0.485466 0.216625 O\n0.250000 0.074293 0.922293 O\n0.250000 0.574293 0.577707 O\n0.250000 0.288105 0.674509 O\n0.250000 0.374090 0.980446 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Ho",
"O"
],
"chemical_system": "Ho-O-Sr",
"density": 7.84096382028674,
"density_atomic": 0.06865018756674544,
"volume": 407.864872514396,
"volume_molar": 8.772213119075529,
"formula_full": "Sr4 Ho8 O16",
"formula_reduced": "SrHo2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4159159204761904,
"spacegroup": 62
}
]
}