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_reduced&page=858",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=856",
"results": [
{
"id": "jvasp-110026",
"created_at": "2022-09-04T14:38:17.657201Z",
"updated_at": "2022-09-04T14:38:17.657220Z",
"structure_string": "Ta2 Mo1 W1\n1.0\n3.960996 -0.000000 2.286882\n1.320332 3.734462 2.286882\n-0.000000 -0.000000 4.573764\nTa Mo W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750000 0.749999 Ta\n0.500000 0.500000 0.499999 Mo\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"W"
],
"chemical_system": "Mo-Ta-W",
"density": 15.749201183739757,
"density_atomic": 0.05912263627899266,
"volume": 67.65598173133684,
"volume_molar": 10.185846131052473,
"formula_full": "Ta2 Mo1 W1",
"formula_reduced": "Ta2MoW",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.810831074999999,
"spacegroup": 225
},
{
"id": "jvasp-105990",
"created_at": "2022-09-04T14:36:22.354498Z",
"updated_at": "2022-09-04T14:36:22.354522Z",
"structure_string": "Ta2 Mo1 S6\n1.0\n5.656142 0.000144 0.816453\n-3.005088 4.791803 0.816453\n0.037903 0.068512 6.405377\nTa Mo S\n2 1 6\ndirect\n0.833400 0.500027 0.499803 Ta\n0.500027 0.833400 0.499803 Ta\n0.166769 0.166769 0.499798 Mo\n0.580296 0.251676 0.245059 S\n0.251676 0.580296 0.245059 S\n0.923028 0.923028 0.245177 S\n0.753234 0.753234 0.755192 S\n0.409993 0.081470 0.755205 S\n0.081470 0.409994 0.755205 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"S"
],
"chemical_system": "Mo-S-Ta",
"density": 6.242063443045171,
"density_atomic": 0.052030430522889304,
"volume": 172.9756972900831,
"volume_molar": 11.574266634889234,
"formula_full": "Ta2 Mo1 S6",
"formula_reduced": "Ta2MoS6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.928678255555556,
"spacegroup": 8
},
{
"id": "jvasp-41103",
"created_at": "2022-09-04T14:38:07.190775Z",
"updated_at": "2022-09-04T14:38:07.190806Z",
"structure_string": "Ta2 Mo1 Ru1\n1.0\n-0.000000 3.195745 3.195745\n3.195745 -0.000000 3.195745\n3.195745 3.195745 -0.000000\nTa Mo Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ta\n0.250000 0.250000 0.250000 Mo\n0.749999 0.749999 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Ru"
],
"chemical_system": "Mo-Ru-Ta",
"density": 14.218092420440307,
"density_atomic": 0.06127927822691985,
"volume": 65.27492026240624,
"volume_molar": 9.827368947949664,
"formula_full": "Ta2 Mo1 Ru1",
"formula_reduced": "Ta2MoRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.880466199999999,
"spacegroup": 225
},
{
"id": "jvasp-79901",
"created_at": "2022-09-04T14:37:03.238173Z",
"updated_at": "2022-09-04T14:37:03.238199Z",
"structure_string": "Ta2 Mo1 Os1\n1.0\n-0.000000 3.204998 3.204998\n3.204998 -0.000000 3.204998\n3.204998 3.204998 -0.000000\nTa Mo Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500001 Ta\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Os"
],
"chemical_system": "Mo-Os-Ta",
"density": 16.343869642982376,
"density_atomic": 0.06075005943047781,
"volume": 65.84355698577691,
"volume_molar": 9.912979207685748,
"formula_full": "Ta2 Mo1 Os1",
"formula_reduced": "Ta2MoOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.237087324999999,
"spacegroup": 225
},
{
"id": "jvasp-30660",
"created_at": "2022-09-04T14:37:42.272183Z",
"updated_at": "2022-09-04T14:37:42.272211Z",
"structure_string": "Ta4 Mo2 O16\n1.0\n5.064156 0.003567 -0.016369\n-0.008447 5.674927 -1.742749\n-0.006029 -0.018475 10.045464\nTa Mo O\n4 2 16\ndirect\n0.755996 0.324642 0.277013 Ta\n0.743402 0.048041 0.722515 Ta\n0.243506 0.672465 0.722479 Ta\n0.256101 0.949065 0.276976 Ta\n0.749785 0.668240 0.999538 Mo\n0.249723 0.328864 0.999952 Mo\n0.880566 0.587523 0.385108 O\n0.618884 0.202754 0.614314 O\n0.118932 0.409587 0.614384 O\n0.380615 0.794356 0.385178 O\n0.079602 0.921026 0.661734 O\n0.419786 0.258417 0.337730 O\n0.069949 0.667037 0.107883 O\n0.569534 0.437947 0.108038 O\n0.929553 0.330070 0.891609 O\n0.919901 0.076079 0.337757 O\n0.580606 0.905054 0.118527 O\n0.919118 0.786941 0.881039 O\n0.418897 0.092043 0.880965 O\n0.080385 0.210169 0.118453 O\n0.429966 0.559155 0.891454 O\n0.579717 0.738690 0.661761 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"O"
],
"chemical_system": "Mo-O-Ta",
"density": 6.743102272464757,
"density_atomic": 0.0762484491493605,
"volume": 288.5304585920816,
"volume_molar": 7.898050159949395,
"formula_full": "Ta4 Mo2 O16",
"formula_reduced": "Ta2MoO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 4.0376293,
"spacegroup": 15
},
{
"id": "jvasp-99603",
"created_at": "2022-09-04T14:36:39.117373Z",
"updated_at": "2022-09-04T14:36:39.117391Z",
"structure_string": "Ta2 Mo1 Ir1\n1.0\n3.929904 -0.000000 2.268931\n1.309968 3.705149 2.268931\n-0.000000 -0.000000 4.537862\nTa Mo Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.749999 Ta\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo-Ta",
"density": 16.336491851416827,
"density_atomic": 0.0605370268639877,
"volume": 66.0752634744856,
"volume_molar": 9.947863434935973,
"formula_full": "Ta2 Mo1 Ir1",
"formula_reduced": "Ta2MoIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.903638849999999,
"spacegroup": 225
},
{
"id": "jvasp-106729",
"created_at": "2022-09-04T14:36:49.613349Z",
"updated_at": "2022-09-04T14:36:49.613372Z",
"structure_string": "Ta2 Mn1 V3\n1.0\n4.318070 -0.005555 2.385182\n1.404822 4.083165 2.385182\n-0.007797 -0.005555 4.933027\nTa Mn V\n2 1 3\ndirect\n0.625594 0.625592 0.625595 Ta\n0.374406 0.374405 0.374407 Ta\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 V\n0.500000 -0.000001 0.000000 V\n-0.000000 -0.000001 0.500001 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"V"
],
"chemical_system": "Mn-Ta-V",
"density": 10.856740558470804,
"density_atomic": 0.06886319671281516,
"volume": 87.12926913663631,
"volume_molar": 8.745078717612461,
"formula_full": "Ta2 Mn1 V3",
"formula_reduced": "Ta2MnV3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.646596373563218,
"spacegroup": 166
},
{
"id": "jvasp-41088",
"created_at": "2022-09-04T14:38:15.298835Z",
"updated_at": "2022-09-04T14:38:15.298855Z",
"structure_string": "Ta2 Mn1 Os1\n1.0\n0.000000 3.133623 3.133623\n3.133623 -0.000000 3.133623\n3.133623 3.133623 -0.000000\nTa Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.249999 0.249999 0.249999 Mn\n0.749999 0.749999 0.749999 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Os"
],
"chemical_system": "Mn-Os-Ta",
"density": 16.37997380855245,
"density_atomic": 0.06499646801001742,
"volume": 61.54180561601455,
"volume_molar": 9.265335401104952,
"formula_full": "Ta2 Mn1 Os1",
"formula_reduced": "Ta2MnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.829557660344827,
"spacegroup": 225
},
{
"id": "jvasp-75619",
"created_at": "2022-09-04T14:35:50.415824Z",
"updated_at": "2022-09-04T14:35:50.415856Z",
"structure_string": "Ta2 Mn1 As1\n1.0\n-0.000000 3.165817 3.165817\n3.165817 -0.000000 3.165817\n3.165817 3.165817 -0.000000\nTa Mn As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750001 0.750001 Mn\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"As"
],
"chemical_system": "As-Mn-Ta",
"density": 12.86799321547632,
"density_atomic": 0.06303366729165145,
"volume": 63.45815136365679,
"volume_molar": 9.553847997033179,
"formula_full": "Ta2 Mn1 As1",
"formula_reduced": "Ta2MnAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.062926847844827,
"spacegroup": 216
},
{
"id": "jvasp-46384",
"created_at": "2022-09-04T14:38:08.763221Z",
"updated_at": "2022-09-04T14:38:08.763252Z",
"structure_string": "Ta4 Mn4 O14\n1.0\n-0.000000 5.157425 5.157425\n5.157425 -0.000000 5.157425\n5.157425 5.157425 0.000000\nTa Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.823040 0.426959 0.823040 O\n0.823040 0.823040 0.426959 O\n0.426959 0.426959 0.823040 O\n0.426959 0.823040 0.426959 O\n0.176959 0.573041 0.573041 O\n0.823040 0.426959 0.426959 O\n0.573041 0.176959 0.573041 O\n0.176959 0.573041 0.176959 O\n0.176959 0.176959 0.573041 O\n0.426959 0.823040 0.823040 O\n0.573041 0.176959 0.176959 O\n0.125000 0.125000 0.125000 O\n0.573041 0.573041 0.176959 O\n0.874999 0.874999 0.874999 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 7.066272130452937,
"density_atomic": 0.080185145538699,
"volume": 274.3650317300023,
"volume_molar": 7.510294730454272,
"formula_full": "Ta4 Mn4 O14",
"formula_reduced": "Ta2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 4.048799762068965,
"spacegroup": 227
},
{
"id": "jvasp-100640",
"created_at": "2022-09-04T14:36:32.340446Z",
"updated_at": "2022-09-04T14:36:32.340472Z",
"structure_string": "Ta2 In1 S4\n1.0\n5.469224 0.002661 -6.746296\n-0.227722 3.297445 -8.031185\n-0.004094 -0.002661 8.684751\nTa In S\n2 1 4\ndirect\n0.746773 0.750388 0.996387 Ta\n0.246000 0.249614 0.996387 Ta\n0.518530 0.500001 0.018530 In\n0.482013 0.152905 0.329108 S\n0.983315 0.652290 0.331026 S\n0.678736 0.347711 0.331026 S\n0.176205 0.847097 0.329110 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"In",
"S"
],
"chemical_system": "In-S-Ta",
"density": 6.42241697533231,
"density_atomic": 0.044751840709192615,
"volume": 156.41814703192998,
"volume_molar": 13.456744269209405,
"formula_full": "Ta2 In1 S4",
"formula_reduced": "Ta2InS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1939983385714283,
"spacegroup": 44
},
{
"id": "jvasp-14308",
"created_at": "2022-09-04T14:37:03.945414Z",
"updated_at": "2022-09-04T14:37:03.945436Z",
"structure_string": "Ta2 In1 Cu1 Te4\n1.0\n5.955384 0.000000 -2.659242\n-1.187425 5.835805 -2.659242\n-0.116476 -0.142563 7.737325\nTa In Cu Te\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Cu\n0.424929 0.424929 0.276499 Te\n0.851571 0.851570 0.276499 Te\n0.148429 0.575071 0.723502 Te\n0.575071 0.148429 0.723502 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ta",
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Ta-Te",
"density": 6.598791535495644,
"density_atomic": 0.03025820765145451,
"volume": 264.39107339576475,
"volume_molar": 19.90250324595983,
"formula_full": "Ta2 In1 Cu1 Te4",
"formula_reduced": "Ta2InCuTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.396058735833333,
"spacegroup": 121
}
]
}