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_molar&page=573",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=571",
"results": [
{
"id": "jvasp-85014",
"created_at": "2022-09-04T14:37:11.768082Z",
"updated_at": "2022-09-04T14:37:11.768111Z",
"structure_string": "Tl3 V1 Se4\n1.0\n-3.903118 -3.903118 3.903118\n-3.903118 3.903118 -3.903118\n3.903118 -3.903118 -3.903118\nTl V Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 V\n0.340055 0.000000 0.000000 Se\n0.000000 0.340055 0.000000 Se\n0.000000 0.000000 0.340055 Se\n0.659946 0.659946 0.659946 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.841474879004856,
"density_atomic": 0.03363527262549944,
"volume": 237.84555246729508,
"volume_molar": 17.904242451225205,
"formula_full": "Tl3 V1 Se4",
"formula_reduced": "Tl3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0929769333333337,
"spacegroup": 217
},
{
"id": "jvasp-56537",
"created_at": "2022-09-04T14:37:35.610495Z",
"updated_at": "2022-09-04T14:37:35.610518Z",
"structure_string": "Ag3 Bi3 Te6\n1.0\n2.168844 -3.756548 -0.000000\n2.168844 3.756548 0.000000\n0.000000 -0.000000 21.894435\nAg Bi Te\n3 3 6\ndirect\n0.666666 0.333332 0.360278 Ag\n0.333332 0.666666 0.639723 Ag\n-0.000000 -0.000000 0.500000 Ag\n0.333332 0.666666 0.192464 Bi\n0.666666 0.333332 0.807536 Bi\n0.000000 0.000000 0.000000 Bi\n0.666666 0.333332 0.091462 Te\n0.333332 0.666666 0.908538 Te\n0.666666 0.333332 0.574754 Te\n0.333332 0.666666 0.425246 Te\n-0.000000 -0.000000 0.278826 Te\n-0.000000 -0.000000 0.721174 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.987709894491007,
"density_atomic": 0.03363568294812225,
"volume": 356.76397647427325,
"volume_molar": 17.90402403687835,
"formula_full": "Ag3 Bi3 Te6",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5943992733333334,
"spacegroup": 164
},
{
"id": "jvasp-28604",
"created_at": "2022-09-04T14:37:46.763933Z",
"updated_at": "2022-09-04T14:37:46.763949Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.314476 -0.000006 -0.000000\n-1.657243 2.870358 0.000006\n-0.000003 0.000062 37.499004\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333355 0.666707 0.333231 Te\n0.333359 0.666716 0.230368 Te\n0.333300 0.666597 0.093917 Mo\n0.333317 0.666634 0.469722 Mo\n0.666696 0.333389 0.281804 W\n0.666690 0.333380 0.657492 W\n0.333353 0.666702 0.702412 Se\n0.333363 0.666724 0.612501 Se\n0.666651 0.333297 0.053262 S\n0.666643 0.333281 0.428943 S\n0.666648 0.333292 0.134643 S\n0.666640 0.333274 0.510454 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.124394122376614,
"density_atomic": 0.03363651722201007,
"volume": 356.75512779152405,
"volume_molar": 17.903579970102882,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.616847838888889,
"spacegroup": 156
},
{
"id": "jvasp-56263",
"created_at": "2022-09-04T14:37:37.821406Z",
"updated_at": "2022-09-04T14:37:37.821427Z",
"structure_string": "Yb8 Tl4\n1.0\n5.209060 -0.000000 0.000000\n-0.000000 7.066256 0.000000\n0.000000 0.000000 9.692008\nYb Tl\n8 4\ndirect\n0.250000 0.672135 0.568434 Yb\n0.750000 0.327866 0.431566 Yb\n0.750000 0.969331 0.699643 Yb\n0.250000 0.030670 0.300357 Yb\n0.250000 0.172134 0.931566 Yb\n0.750000 0.827866 0.068434 Yb\n0.750000 0.469330 0.800357 Yb\n0.250000 0.530670 0.199643 Yb\n0.250000 0.226124 0.609362 Tl\n0.750000 0.273876 0.109362 Tl\n0.250000 0.726124 0.890638 Tl\n0.750000 0.773877 0.390638 Tl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Tl"
],
"chemical_system": "Tl-Yb",
"density": 10.248845993524185,
"density_atomic": 0.03363711616481632,
"volume": 356.7487754063689,
"volume_molar": 17.90326117878983,
"formula_full": "Yb8 Tl4",
"formula_reduced": "Yb2Tl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-109667",
"created_at": "2022-09-04T14:37:59.376242Z",
"updated_at": "2022-09-04T14:37:59.376272Z",
"structure_string": "U2 Sb1 Te1\n1.0\n4.295261 -0.004626 5.748309\n1.907100 3.848670 5.748309\n-0.007464 -0.004626 7.175812\nU Sb Te\n2 1 1\ndirect\n0.250863 0.250862 0.250863 U\n0.749138 0.749136 0.749137 U\n0.000000 0.000000 0.000000 Sb\n0.500001 0.499999 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-U",
"density": 10.129728207113466,
"density_atomic": 0.033637248748513475,
"volume": 118.91578975158518,
"volume_molar": 17.903190611765282,
"formula_full": "U2 Sb1 Te1",
"formula_reduced": "U2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.519811466666666,
"spacegroup": 166
},
{
"id": "jvasp-102510",
"created_at": "2022-09-04T14:36:45.697377Z",
"updated_at": "2022-09-04T14:36:45.697398Z",
"structure_string": "La1 Nd1 Mg2\n1.0\n4.780181 -0.000000 2.759839\n1.593394 4.506798 2.759839\n-0.000000 -0.000000 5.519677\nLa Nd Mg\n1 1 2\ndirect\n0.499999 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750001 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Nd",
"Mg"
],
"chemical_system": "La-Mg-Nd",
"density": 4.632801677256315,
"density_atomic": 0.03363828862481143,
"volume": 118.9121136516327,
"volume_molar": 17.902637161981243,
"formula_full": "La1 Nd1 Mg2",
"formula_reduced": "LaNdMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.41835865,
"spacegroup": 225
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cu-Rb",
"density": 3.712175628308957,
"density_atomic": 0.03363890569272459,
"volume": 416.1847631989977,
"volume_molar": 17.902308758225942,
"formula_full": "Rb4 Cu2 Br4 Cl4",
"formula_reduced": "Rb2Cu(BrCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-107851",
"created_at": "2022-09-04T14:36:46.198141Z",
"updated_at": "2022-09-04T14:36:46.198170Z",
"structure_string": "Rb2 Er1 Au1 Cl6\n1.0\n6.487659 -0.000000 3.745652\n2.162553 6.116623 3.745652\n-0.000000 -0.000000 7.491303\nRb Er Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Au\n0.755421 0.244579 0.244579 Cl\n0.244579 0.244579 0.755420 Cl\n0.244579 0.755420 0.755420 Cl\n0.244579 0.755420 0.244579 Cl\n0.755421 0.244579 0.755420 Cl\n0.755421 0.755420 0.244579 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Er",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Er-Rb",
"density": 4.177567182449738,
"density_atomic": 0.033638986962829756,
"volume": 297.2741126553469,
"volume_molar": 17.902265507145966,
"formula_full": "Rb2 Er1 Au1 Cl6",
"formula_reduced": "Rb2ErAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-1654",
"created_at": "2022-09-04T14:36:54.438063Z",
"updated_at": "2022-09-04T14:36:54.438099Z",
"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"S"
],
"chemical_system": "Pr-Rb-S",
"density": 4.05703004088719,
"density_atomic": 0.03364068520189813,
"volume": 118.90364230079076,
"volume_molar": 17.901361770301307,
"formula_full": "Rb1 Pr1 S2",
"formula_reduced": "RbPrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6389849624999999,
"spacegroup": 166
},
{
"id": "jvasp-15751",
"created_at": "2022-09-04T14:36:32.324788Z",
"updated_at": "2022-09-04T14:36:32.324811Z",
"structure_string": "Pr1 Te1\n1.0\n3.902788 -0.000000 0.000000\n-0.000000 3.902788 0.000000\n-0.000000 -0.000000 3.902788\nPr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Te"
],
"chemical_system": "Pr-Te",
"density": 7.5003387421098155,
"density_atomic": 0.03364380543219218,
"volume": 59.446307405115775,
"volume_molar": 17.899701542791878,
"formula_full": "Pr1 Te1",
"formula_reduced": "PrTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1722688083333332,
"spacegroup": 221
},
{
"id": "jvasp-26074",
"created_at": "2022-09-04T14:37:11.854150Z",
"updated_at": "2022-09-04T14:37:11.854160Z",
"structure_string": "Rb12 Fe8 Se16\n1.0\n7.611369 0.000000 0.000000\n-0.000000 11.199298 0.000000\n0.000000 0.000000 12.552353\nRb Fe Se\n12 8 16\ndirect\n0.093521 0.250000 0.763467 Rb\n0.593521 0.250000 0.736533 Rb\n0.906479 0.750000 0.236533 Rb\n0.406479 0.750000 0.263467 Rb\n0.081915 0.435754 0.133891 Rb\n0.581915 0.064246 0.366109 Rb\n0.918085 0.935754 0.866108 Rb\n0.418085 0.564246 0.633891 Rb\n0.918085 0.564246 0.866108 Rb\n0.418085 0.935754 0.633891 Rb\n0.081915 0.064246 0.133891 Rb\n0.581915 0.435754 0.366109 Rb\n0.555621 0.366091 0.029439 Fe\n0.055621 0.133909 0.470561 Fe\n0.944380 0.633909 0.529439 Fe\n0.444379 0.866091 0.970560 Fe\n0.944380 0.866091 0.529439 Fe\n0.555621 0.133909 0.029439 Fe\n0.055621 0.366091 0.470561 Fe\n0.444379 0.633909 0.970560 Fe\n0.354750 0.055329 0.893961 Se\n0.854750 0.444672 0.606038 Se\n0.354750 0.444672 0.893961 Se\n0.854750 0.055329 0.606038 Se\n0.645250 0.944672 0.106039 Se\n0.145250 0.555329 0.393961 Se\n0.074780 0.750000 0.667897 Se\n0.925220 0.250000 0.332103 Se\n0.425220 0.250000 0.167897 Se\n0.191707 0.750000 0.030126 Se\n0.691707 0.750000 0.469874 Se\n0.808294 0.250000 0.969874 Se\n0.308293 0.250000 0.530126 Se\n0.145250 0.944672 0.393961 Se\n0.574780 0.750000 0.832102 Se\n0.645250 0.555329 0.106039 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"Se"
],
"chemical_system": "Fe-Rb-Se",
"density": 4.245649908334544,
"density_atomic": 0.033645251477785264,
"volume": 1069.9875441195466,
"volume_molar": 17.898932228151722,
"formula_full": "Rb12 Fe8 Se16",
"formula_reduced": "Rb3(FeSe2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.1765416074074078,
"spacegroup": 62
}
]
}