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=nsites&page=3376",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3374",
"results": [
{
"id": "jvasp-23809",
"created_at": "2022-09-04T14:37:37.968401Z",
"updated_at": "2022-09-04T14:37:37.968420Z",
"structure_string": "Hf4 Cu4 Si4\n1.0\n3.907444 0.000000 0.000000\n0.000000 6.460200 0.000000\n0.000000 0.000000 7.301078\nHf Cu Si\n4 4 4\ndirect\n0.250000 0.511325 0.691645 Hf\n0.749999 0.488675 0.308355 Hf\n0.250000 0.011325 0.808356 Hf\n0.749999 0.988675 0.191645 Hf\n0.749999 0.831649 0.577001 Cu\n0.250000 0.168351 0.422999 Cu\n0.749999 0.331649 0.923000 Cu\n0.250000 0.668351 0.077001 Cu\n0.250000 0.277202 0.102612 Si\n0.749999 0.722798 0.897388 Si\n0.250000 0.777202 0.397388 Si\n0.749999 0.222798 0.602612 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Si"
],
"chemical_system": "Cu-Hf-Si",
"density": 9.735147304251539,
"density_atomic": 0.06511117486664039,
"volume": 184.30016083380767,
"volume_molar": 9.249012588598573,
"formula_full": "Hf4 Cu4 Si4",
"formula_reduced": "HfCuSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2412406833333334,
"spacegroup": 62
},
{
"id": "jvasp-10885",
"created_at": "2022-09-04T14:37:16.832175Z",
"updated_at": "2022-09-04T14:37:16.832194Z",
"structure_string": "Rb4 Si2 S6\n1.0\n6.269881 0.000000 2.733008\n2.753423 6.538569 2.241756\n-0.014946 0.007693 8.592761\nRb Si S\n4 2 6\ndirect\n0.803775 0.579265 0.813184 Rb\n0.196224 0.420734 0.186817 Rb\n0.580416 0.200891 0.638275 Rb\n0.419583 0.799109 0.361726 Rb\n0.116369 0.947720 0.819542 Si\n0.883630 0.052280 0.180460 Si\n0.238228 -0.000000 0.000000 S\n0.761772 -0.000000 0.000000 S\n0.888469 0.827342 0.395719 S\n0.111530 0.172658 0.604282 S\n0.709877 0.357509 0.222735 S\n0.290122 0.642490 0.777266 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Si",
"S"
],
"chemical_system": "Rb-S-Si",
"density": 2.7814876383600913,
"density_atomic": 0.0340438954776377,
"volume": 352.4861015944077,
"volume_molar": 17.689340997876528,
"formula_full": "Rb4 Si2 S6",
"formula_reduced": "Rb2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0786731,
"spacegroup": 12
},
{
"id": "jvasp-57501",
"created_at": "2022-09-04T14:37:17.060831Z",
"updated_at": "2022-09-04T14:37:17.060855Z",
"structure_string": "Co3 F9\n1.0\n2.683347 -4.647692 -0.000000\n2.683347 4.647692 0.000000\n-0.000000 0.000000 6.571299\nCo F\n3 9\ndirect\n0.666668 0.333334 0.333329 Co\n0.333334 0.666668 0.666671 Co\n0.000000 0.000000 0.000000 Co\n0.166708 0.833385 0.833322 F\n0.166616 0.333324 0.833322 F\n0.666678 0.833293 0.833322 F\n0.500086 0.000000 0.500000 F\n0.000000 0.500086 0.500000 F\n0.499915 0.499915 0.500000 F\n0.333324 0.166616 0.166678 F\n0.833385 0.166708 0.166678 F\n0.833293 0.666678 0.166678 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.523423201457569,
"density_atomic": 0.0732126024049847,
"volume": 163.9062074807899,
"volume_molar": 8.22555210739235,
"formula_full": "Co3 F9",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.267192936875,
"spacegroup": 221
},
{
"id": "jvasp-85231",
"created_at": "2022-09-04T14:37:17.130846Z",
"updated_at": "2022-09-04T14:37:17.130858Z",
"structure_string": "Ce2 Nd2 I8\n1.0\n7.072978 0.148373 -2.436085\n-2.709144 6.922632 -3.277391\n-0.196588 0.075967 8.832785\nCe Nd I\n2 2 8\ndirect\n0.242267 0.492310 0.984481 Ce\n0.757733 0.507690 0.015519 Ce\n0.885531 0.135593 0.271074 Nd\n0.114469 0.864407 0.728926 Nd\n0.488960 0.249064 0.121868 I\n0.132646 0.872602 0.121806 I\n0.511041 0.750936 0.878132 I\n0.708515 0.810278 0.367189 I\n0.291486 0.189721 0.632811 I\n0.867355 0.127398 0.878194 I\n0.158617 0.556760 0.367123 I\n0.841383 0.443240 0.632877 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"I"
],
"chemical_system": "Ce-I-Nd",
"density": 6.045380576386441,
"density_atomic": 0.02758124360404784,
"volume": 435.07827900257814,
"volume_molar": 21.83418864810065,
"formula_full": "Ce2 Nd2 I8",
"formula_reduced": "CeNdI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2620303500000002,
"spacegroup": 15
},
{
"id": "jvasp-29188",
"created_at": "2022-09-04T14:37:16.978614Z",
"updated_at": "2022-09-04T14:37:16.978638Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384419 -0.000002 0.000028\n-1.692211 2.930995 -0.000040\n0.000281 -0.000434 35.959869\nTe Mo W Se\n2 3 1 6\ndirect\n0.333328 0.666661 0.334178 Te\n0.333322 0.666622 0.229413 Te\n0.333384 0.666640 0.089407 Mo\n0.666659 0.333309 0.281798 Mo\n0.666639 0.333355 0.656865 Mo\n0.333315 0.666700 0.474844 W\n0.333307 0.666698 0.702820 Se\n0.666728 0.333299 0.043457 Se\n0.666652 0.333356 0.428599 Se\n0.666718 0.333315 0.135448 Se\n0.666648 0.333388 0.521063 Se\n0.333308 0.666678 0.610858 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.589043840951803,
"density_atomic": 0.0336406277446529,
"volume": 356.7115361545943,
"volume_molar": 17.9013923453233,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.626023619444444,
"spacegroup": 156
},
{
"id": "jvasp-58415",
"created_at": "2022-09-04T14:37:17.022153Z",
"updated_at": "2022-09-04T14:37:17.022171Z",
"structure_string": "Ru4 O8\n1.0\n4.872799 -0.000000 -0.000000\n0.000000 4.872799 0.000000\n0.000000 0.000000 4.872799\nRu O\n4 8\ndirect\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.351004 0.148996 0.851005 O\n0.148996 0.851005 0.351004 O\n0.851005 0.351004 0.148996 O\n0.648996 0.648996 0.648996 O\n0.351004 0.351004 0.351004 O\n0.148996 0.648996 0.851005 O\n0.851005 0.148996 0.648996 O\n0.648996 0.851005 0.148996 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ru",
"O"
],
"chemical_system": "O-Ru",
"density": 7.639234420638219,
"density_atomic": 0.10371599878172477,
"volume": 115.70056829182707,
"volume_molar": 5.806375902211462,
"formula_full": "Ru4 O8",
"formula_reduced": "RuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3613525000000006,
"spacegroup": 205
},
{
"id": "jvasp-28580",
"created_at": "2022-09-04T14:37:17.050494Z",
"updated_at": "2022-09-04T14:37:17.050514Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258389 0.000000 0.000000\n-1.629194 2.821861 -0.005459\n0.000000 0.047129 25.720266\nMo W Se S\n2 2 4 4\ndirect\n0.333069 0.666136 0.005658 Mo\n0.666604 0.333208 0.254921 Mo\n0.333377 0.666752 0.495909 W\n0.666951 0.333899 0.746429 W\n0.333648 0.667296 0.812861 Se\n0.666391 0.332779 0.939638 Se\n0.666422 0.332842 0.071664 Se\n0.333600 0.667200 0.680015 Se\n0.333289 0.666578 0.315006 S\n0.666669 0.333334 0.435529 S\n0.666747 0.333491 0.556310 S\n0.333242 0.666485 0.194808 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 7.047257978707252,
"density_atomic": 0.05074178052464904,
"volume": 236.49150415939212,
"volume_molar": 11.86820938826654,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.670342105555556,
"spacegroup": 156
},
{
"id": "jvasp-9135",
"created_at": "2022-09-04T14:37:17.086432Z",
"updated_at": "2022-09-04T14:37:17.086441Z",
"structure_string": "Sb8 Rh4\n1.0\n0.000000 6.721460 -0.006895\n6.660640 0.000000 0.000000\n0.000000 -3.014076 -6.083928\nSb Rh\n8 4\ndirect\n0.344684 0.638458 0.173577 Sb\n0.655316 0.138458 0.326422 Sb\n0.655315 0.361542 0.826422 Sb\n0.344683 0.861542 0.673577 Sb\n0.150372 0.362855 0.371279 Sb\n0.849628 0.862855 0.128720 Sb\n0.849627 0.637145 0.628720 Sb\n0.150372 0.137145 0.871279 Sb\n0.270629 0.000399 0.285255 Rh\n0.729370 0.500399 0.214745 Rh\n0.729370 0.999601 0.714745 Rh\n0.270629 0.499601 0.785255 Rh\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb",
"density": 8.443735884636682,
"density_atomic": 0.044034892975647874,
"volume": 272.51116533055335,
"volume_molar": 13.675838302435203,
"formula_full": "Sb8 Rh4",
"formula_reduced": "Sb2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 1.668605066666667,
"spacegroup": 14
},
{
"id": "jvasp-34584",
"created_at": "2022-09-04T14:37:17.061284Z",
"updated_at": "2022-09-04T14:37:17.061305Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.73172863490787,
"density_atomic": 0.08213886670838925,
"volume": 146.09405365431442,
"volume_molar": 7.331657960877282,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5195852000000003,
"spacegroup": 3
},
{
"id": "jvasp-10186",
"created_at": "2022-09-04T14:37:17.150475Z",
"updated_at": "2022-09-04T14:37:17.150494Z",
"structure_string": "Mg2 U2 O8\n1.0\n5.440017 0.023073 -2.040610\n-2.868347 4.769570 -1.667990\n-0.003970 -0.023073 5.810151\nMg U O\n2 2 8\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.034616 0.250000 0.284616 U\n0.965383 0.750000 0.715383 U\n0.807833 0.475138 0.282972 O\n0.192167 0.524862 0.717028 O\n0.807833 0.024861 0.832695 O\n0.192166 0.975139 0.167304 O\n0.731617 0.948738 0.282880 O\n0.665858 0.448738 0.717120 O\n0.334142 0.551261 0.282880 O\n0.268382 0.051262 0.717120 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"U",
"O"
],
"chemical_system": "Mg-O-U",
"density": 7.188967485409969,
"density_atomic": 0.0795993757351165,
"volume": 150.75495114349263,
"volume_molar": 7.565562800441963,
"formula_full": "Mg2 U2 O8",
"formula_reduced": "MgUO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.189703175,
"spacegroup": 74
},
{
"id": "jvasp-28848",
"created_at": "2022-09-04T14:37:17.230543Z",
"updated_at": "2022-09-04T14:37:17.230567Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353236 0.000001 -0.000000\n-1.676617 2.903980 -0.000037\n-0.000000 -0.000479 37.877392\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333356 0.666713 0.707789 Te\n0.333354 0.666709 0.607086 Te\n0.666690 0.333380 0.281774 Mo\n0.333314 0.666627 0.093898 W\n0.333313 0.666626 0.469630 W\n0.666688 0.333375 0.657564 W\n0.333356 0.666713 0.325823 Se\n0.666644 0.333287 0.049892 Se\n0.666643 0.333284 0.138167 Se\n0.333353 0.666707 0.237809 Se\n0.666645 0.333287 0.429378 S\n0.666644 0.333287 0.509935 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.774476346739394,
"density_atomic": 0.032534441939489255,
"volume": 368.8398904250079,
"volume_molar": 18.510047817019778,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124567908333334,
"spacegroup": 156
},
{
"id": "jvasp-11192",
"created_at": "2022-09-04T14:37:17.296153Z",
"updated_at": "2022-09-04T14:37:17.296176Z",
"structure_string": "Na2 Ge4 N6\n1.0\n5.185183 0.000000 0.000000\n0.000000 5.035242 -2.817152\n-0.000000 0.002093 5.769749\nNa Ge N\n2 4 6\ndirect\n0.494092 0.661935 0.661936 Na\n0.994092 0.338064 0.338065 Na\n0.024935 0.010640 0.675368 Ge\n0.524935 0.989359 0.324633 Ge\n0.524935 0.324632 0.989359 Ge\n0.024935 0.675367 0.010641 Ge\n0.951241 0.738619 0.738620 N\n0.451241 0.261380 0.261380 N\n0.381398 0.659212 0.073382 N\n0.381398 0.073381 0.659212 N\n0.881398 0.926618 0.340788 N\n0.881398 0.340787 0.926619 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ge",
"N"
],
"chemical_system": "Ge-N-Na",
"density": 4.63519440028765,
"density_atomic": 0.07964376001672817,
"volume": 150.67093765386707,
"volume_molar": 7.561346624939764,
"formula_full": "Na2 Ge4 N6",
"formula_reduced": "NaGe2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9755934416666663,
"spacegroup": 36
}
]
}