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=formula_anonymous&page=3673",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=3671",
"results": [
{
"id": "jvasp-30481",
"created_at": "2022-09-04T14:37:13.167777Z",
"updated_at": "2022-09-04T14:37:13.167789Z",
"structure_string": "Ho2 H4 Cl2 O4\n1.0\n6.210321 0.000000 0.081957\n0.000000 3.585742 0.000000\n-1.855332 0.000000 6.308440\nHo H Cl O\n2 4 2 4\ndirect\n0.282219 0.249999 0.109957 Ho\n0.717782 0.750001 0.890044 Ho\n0.875273 0.249999 0.237444 H\n0.638038 0.750001 0.308990 H\n0.361961 0.249999 0.691011 H\n0.124729 0.750001 0.762557 H\n0.229258 0.750001 0.429163 Cl\n0.770742 0.249999 0.570838 Cl\n0.895683 0.249999 0.094364 O\n0.545478 0.750001 0.162083 O\n0.454524 0.249999 0.837918 O\n0.104316 0.750001 0.905637 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ho",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Ho-O",
"density": 5.519955649014302,
"density_atomic": 0.0850910415246094,
"volume": 141.0254215366426,
"volume_molar": 7.077291160266644,
"formula_full": "Ho2 H4 Cl2 O4",
"formula_reduced": "HoH2ClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.750516105694445,
"spacegroup": 11
},
{
"id": "jvasp-85184",
"created_at": "2022-09-04T14:37:08.655872Z",
"updated_at": "2022-09-04T14:37:08.655893Z",
"structure_string": "La1 Al2 B1 Ru2\n1.0\n4.234605 0.000000 0.000000\n0.000000 4.234605 0.000000\n0.000000 0.000000 5.681263\nLa Al B Ru\n1 2 1 2\ndirect\n0.000000 0.000000 0.500000 La\n0.500001 0.500001 0.745733 Al\n0.500001 0.500001 0.254266 Al\n0.000000 0.000000 0.000000 B\n0.500001 0.000000 0.000000 Ru\n0.000000 0.500001 0.000000 Ru\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Al",
"B",
"Ru"
],
"chemical_system": "Al-B-La-Ru",
"density": 6.614718291857007,
"density_atomic": 0.05889528722298426,
"volume": 101.87572355803813,
"volume_molar": 10.225165788222562,
"formula_full": "La1 Al2 B1 Ru2",
"formula_reduced": "LaAl2BRu2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.356662363888889,
"spacegroup": 123
},
{
"id": "jvasp-12389",
"created_at": "2022-09-04T14:37:28.544388Z",
"updated_at": "2022-09-04T14:37:28.544420Z",
"structure_string": "K4 Na2 In2 As4\n1.0\n6.246033 -0.000000 -2.528602\n-1.034564 6.214015 -2.555530\n0.031649 0.011291 9.056805\nK Na In As\n4 2 2 4\ndirect\n0.415069 0.675342 0.350686 K\n0.064383 0.824656 0.649314 K\n0.935617 0.175343 0.350686 K\n0.584931 0.324657 0.649314 K\n0.000000 0.250000 -0.000000 Na\n0.000000 0.749999 -0.000000 Na\n0.500000 0.749999 0.000000 In\n0.500000 0.250000 0.000000 In\n0.175073 0.396437 0.792874 As\n0.824927 0.603562 0.207126 As\n0.382198 0.103563 0.207126 As\n0.617802 0.896436 0.792874 As\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"In",
"As"
],
"chemical_system": "As-In-K-Na",
"density": 3.449490927021315,
"density_atomic": 0.03406881170908415,
"volume": 352.2283108218977,
"volume_molar": 17.67640389522083,
"formula_full": "K4 Na2 In2 As4",
"formula_reduced": "K2NaInAs2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.1999830783333331,
"spacegroup": 72
},
{
"id": "jvasp-28726",
"created_at": "2022-09-04T14:37:30.759201Z",
"updated_at": "2022-09-04T14:37:30.759210Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.367773 0.000000 0.000000\n-1.683886 2.916390 0.000412\n0.000000 0.004759 35.842845\nTe Mo W S\n4 2 2 4\ndirect\n0.333214 0.666433 0.719166 Te\n0.666608 0.333214 0.407823 Te\n0.666706 0.333411 0.513405 Te\n0.333504 0.667011 0.613084 Te\n0.333307 0.666615 0.102809 Mo\n0.333361 0.666723 0.460640 Mo\n0.666698 0.333397 0.273322 W\n0.666642 0.333287 0.666182 W\n0.333277 0.666555 0.315699 S\n0.666690 0.333381 0.060636 S\n0.666610 0.333222 0.145017 S\n0.333373 0.666749 0.230962 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.651904103683583,
"density_atomic": 0.03408712465440384,
"volume": 352.03907990666136,
"volume_molar": 17.666907435156684,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.5477485722222224,
"spacegroup": 156
},
{
"id": "jvasp-28579",
"created_at": "2022-09-04T14:37:09.448278Z",
"updated_at": "2022-09-04T14:37:09.448289Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257352 -0.000008 -0.000431\n-1.628682 2.820980 0.000038\n-0.004523 -0.002253 33.754069\nMo W Se S\n2 2 4 4\ndirect\n0.333204 0.666539 0.090376 Mo\n0.666717 0.333291 0.280515 Mo\n0.333418 0.666713 0.470581 W\n0.666661 0.333450 0.661445 W\n0.666429 0.333243 0.040117 Se\n0.666599 0.333294 0.419967 Se\n0.666639 0.333128 0.140691 Se\n0.666942 0.333543 0.521193 Se\n0.333554 0.666753 0.326319 S\n0.333538 0.666914 0.707429 S\n0.333147 0.666474 0.234703 S\n0.333160 0.666657 0.615413 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.373354648454966,
"density_atomic": 0.038689314777010625,
"volume": 310.1631566535383,
"volume_molar": 15.565384899446151,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673542105555556,
"spacegroup": 156
},
{
"id": "jvasp-28913",
"created_at": "2022-09-04T14:37:30.470022Z",
"updated_at": "2022-09-04T14:37:30.470038Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.451515 0.000000 -0.000000\n-1.725757 2.989119 -0.000009\n-0.000005 -0.000112 38.810383\nTe Mo W Se\n4 2 2 4\ndirect\n0.333355 0.666713 0.329766 Te\n0.333359 0.666721 0.705386 Te\n0.333351 0.666705 0.233884 Te\n0.333353 0.666712 0.609391 Te\n0.333304 0.666613 0.469607 Mo\n0.666683 0.333373 0.281762 Mo\n0.333312 0.666626 0.093927 W\n0.666691 0.333385 0.657527 W\n0.666640 0.333283 0.051870 Se\n0.666640 0.333284 0.427579 Se\n0.666645 0.333292 0.136262 Se\n0.666646 0.333297 0.511789 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.7471000221029405,
"density_atomic": 0.029969558643553277,
"volume": 400.40629702704376,
"volume_molar": 20.094192349060226,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3796596944444453,
"spacegroup": 156
},
{
"id": "jvasp-28908",
"created_at": "2022-09-04T14:37:13.711821Z",
"updated_at": "2022-09-04T14:37:13.711845Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.347321 -0.000000 -0.000000\n-1.673661 2.898884 0.000056\n-0.000000 0.001668 36.133835\nTe W Se S\n2 4 4 2\ndirect\n0.666681 0.333362 0.415211 Te\n0.666636 0.333271 0.521012 Te\n0.333312 0.666624 0.098512 W\n0.333330 0.666661 0.468126 W\n0.666671 0.333340 0.274759 W\n0.666684 0.333369 0.661546 W\n0.333336 0.666672 0.321123 Se\n0.333351 0.666702 0.707858 Se\n0.333349 0.666700 0.228391 Se\n0.333364 0.666729 0.615158 Se\n0.666666 0.333331 0.056326 S\n0.666618 0.333235 0.140727 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.490757559018947,
"density_atomic": 0.03422464798840231,
"volume": 350.624497410943,
"volume_molar": 17.595917310941285,
"formula_full": "Te2 W4 Se4 S2",
"formula_reduced": "TeW2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.90732075,
"spacegroup": 156
},
{
"id": "jvasp-29196",
"created_at": "2022-09-04T14:37:29.475557Z",
"updated_at": "2022-09-04T14:37:29.475591Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.444139 0.000000 0.000015\n-1.722069 2.982695 0.000006\n0.000161 0.000160 37.431270\nTe Mo W Se\n4 2 2 4\ndirect\n0.333321 0.666634 0.328118 Te\n0.666676 0.333351 0.422629 Te\n0.666669 0.333356 0.522471 Te\n0.333337 0.666648 0.228772 Te\n0.333329 0.666638 0.095359 Mo\n0.666660 0.333305 0.278440 Mo\n0.333342 0.666692 0.472563 W\n0.666670 0.333367 0.656554 W\n0.333330 0.666696 0.700371 Se\n0.666671 0.333316 0.051725 Se\n0.666647 0.333284 0.139082 Se\n0.333343 0.666703 0.612667 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.984468360528291,
"density_atomic": 0.031207369767633608,
"volume": 384.5245558773643,
"volume_molar": 19.297175009749775,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3786230277777785,
"spacegroup": 156
},
{
"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-35356",
"created_at": "2022-09-04T14:37:29.226051Z",
"updated_at": "2022-09-04T14:37:29.226084Z",
"structure_string": "U1 B2 Rh2 C1\n1.0\n3.784198 -0.000000 -0.000000\n-0.000000 3.784198 -0.000000\n-1.892098 -1.892098 5.147784\nU B Rh C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 U\n0.145537 0.145537 0.291074 B\n0.854463 0.854463 0.708925 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"U",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Rh-U",
"density": 10.755473674088579,
"density_atomic": 0.08139228312369907,
"volume": 73.7170622291215,
"volume_molar": 7.39890875262415,
"formula_full": "U1 B2 Rh2 C1",
"formula_reduced": "UB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.866836194444445,
"spacegroup": 139
},
{
"id": "jvasp-102809",
"created_at": "2022-09-04T14:37:13.488419Z",
"updated_at": "2022-09-04T14:37:13.488456Z",
"structure_string": "Al2 Cr1 B2 Mo1\n1.0\n7.115743 -0.000650 0.000000\n-6.423147 3.062186 0.000000\n-0.000000 0.000000 3.046673\nAl Cr B Mo\n2 1 2 1\ndirect\n0.307702 0.692299 0.500000 Al\n0.699825 0.300176 -0.000000 Al\n0.912604 0.087396 -0.000000 Cr\n0.464014 0.535987 0.500000 B\n0.528283 0.471718 -0.000000 B\n0.087575 0.912427 0.500000 Mo\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Al",
"Cr",
"B",
"Mo"
],
"chemical_system": "Al-B-Cr-Mo",
"density": 5.592079414420438,
"density_atomic": 0.09039758060036575,
"volume": 66.37345778672005,
"volume_molar": 6.66183842532577,
"formula_full": "Al2 Cr1 B2 Mo1",
"formula_reduced": "Al2CrB2Mo",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.211395677777778,
"spacegroup": 38
},
{
"id": "jvasp-56958",
"created_at": "2022-09-04T14:37:30.412877Z",
"updated_at": "2022-09-04T14:37:30.412897Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n3.578223 -0.000000 -1.231417\n-0.423782 3.553039 -1.231417\n0.000498 0.000561 5.815917\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.643874 0.643874 0.287747 B\n0.356126 0.356125 0.712252 B\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.080666591238762,
"density_atomic": 0.0811403053430097,
"volume": 73.94598744281043,
"volume_molar": 7.421885750296615,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.995879455555556,
"spacegroup": 139
}
]
}