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_full&page=3863",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3861",
"results": [
{
"id": "jvasp-11052",
"created_at": "2022-09-04T14:37:34.696828Z",
"updated_at": "2022-09-04T14:37:34.696859Z",
"structure_string": "Ca1 Mn2 F10\n1.0\n5.053650 0.056367 -1.984187\n-2.035547 4.990701 -0.654987\n-0.269807 -0.056165 7.455273\nCa Mn F\n1 2 10\ndirect\n0.288789 0.538789 0.749999 Ca\n-0.000338 0.008406 0.007797 Mn\n0.500608 0.991865 0.492202 Mn\n0.331021 0.081022 0.250000 F\n0.669566 0.919567 0.749999 F\n0.549110 0.724334 0.374308 F\n0.850024 0.174803 0.125691 F\n0.786703 0.692707 0.022292 F\n0.170413 0.764411 0.477707 F\n0.186182 0.316504 0.965277 F\n0.851226 0.220905 0.534721 F\n0.150369 0.836251 0.876102 F\n0.460148 0.274266 0.623896 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"F"
],
"chemical_system": "Ca-F-Mn",
"density": 3.037908933146891,
"density_atomic": 0.06996311459040346,
"volume": 185.81219655682904,
"volume_molar": 8.607593866077014,
"formula_full": "Ca1 Mn2 F10",
"formula_reduced": "CaMn2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.4081298252122015,
"spacegroup": 5
},
{
"id": "jvasp-119663",
"created_at": "2022-09-04T14:38:51.886806Z",
"updated_at": "2022-09-04T14:38:51.886831Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n5.190365 -0.038025 3.656188\n0.048927 5.190273 3.656188\n0.012428 0.012221 7.339726\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500001 Mn\n0.500000 0.499999 0.000001 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500000 0.499999 0.500001 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000001 Ru\n0.871061 0.519361 0.310590 O\n0.519362 0.871060 0.310590 O\n0.175989 0.175988 0.519592 O\n0.822439 0.822437 0.870949 O\n0.177561 0.177561 0.129053 O\n0.702966 0.310820 0.817138 O\n0.310821 0.702965 0.817138 O\n0.297034 0.689179 0.182864 O\n0.128939 0.480637 0.689412 O\n0.689179 0.297033 0.182864 O\n0.824011 0.824010 0.480410 O\n0.480638 0.128938 0.689412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 6.184483617286725,
"density_atomic": 0.10138170461078377,
"volume": 197.2742525565371,
"volume_molar": 5.940066586096282,
"formula_full": "Ca1 Mn2 Cu3 Ru2 O12",
"formula_reduced": "CaMn2Cu3(RuO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.750664462637931,
"spacegroup": 12
},
{
"id": "jvasp-18532",
"created_at": "2022-09-04T14:36:59.423549Z",
"updated_at": "2022-09-04T14:36:59.423577Z",
"structure_string": "Ca1 Mn2 Bi2\n1.0\n2.276635 -3.943248 0.000000\n2.276635 3.943248 -0.000000\n0.000000 0.000000 7.750326\nCa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.385428 Mn\n0.333334 0.666668 0.614573 Mn\n0.666668 0.333334 0.751436 Bi\n0.333334 0.666668 0.248565 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ca-Mn",
"density": 6.776959446678,
"density_atomic": 0.03593126755913224,
"volume": 139.15456758577966,
"volume_molar": 16.76016786796997,
"formula_full": "Ca1 Mn2 Bi2",
"formula_reduced": "Ca(MnBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.112568700551724,
"spacegroup": 164
},
{
"id": "jvasp-73908",
"created_at": "2022-09-04T14:36:14.519591Z",
"updated_at": "2022-09-04T14:36:14.519616Z",
"structure_string": "Ca1 Mn2 Be1\n1.0\n2.883516 0.000000 0.000000\n0.000000 2.883516 -0.000000\n0.000000 0.000000 6.752751\nCa Mn Be\n1 2 1\ndirect\n0.500001 0.500001 0.750102 Ca\n0.000000 0.000000 0.079370 Mn\n0.500001 0.500001 0.250025 Mn\n0.000000 0.000000 0.420502 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Be"
],
"chemical_system": "Be-Ca-Mn",
"density": 4.7014153390322315,
"density_atomic": 0.07124174102204382,
"volume": 56.14685916732873,
"volume_molar": 8.45310722843875,
"formula_full": "Ca1 Mn2 Be1",
"formula_reduced": "CaMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5328227506896552,
"spacegroup": 99
},
{
"id": "jvasp-74151",
"created_at": "2022-09-04T14:35:57.393414Z",
"updated_at": "2022-09-04T14:35:57.393439Z",
"structure_string": "Ca1 Mn2 Be1\n1.0\n2.883555 0.000000 0.000000\n0.000000 2.883555 -0.000000\n0.000000 -0.000000 6.752304\nCa Mn Be\n1 2 1\ndirect\n0.499999 0.499999 0.750106 Ca\n0.000000 0.000000 0.079359 Mn\n0.499999 0.499999 0.250021 Mn\n0.000000 0.000000 0.420513 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Be"
],
"chemical_system": "Be-Ca-Mn",
"density": 4.701599390391426,
"density_atomic": 0.07124452999904775,
"volume": 56.14466121193394,
"volume_molar": 8.45277631851946,
"formula_full": "Ca1 Mn2 Be1",
"formula_reduced": "CaMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.532612750689655,
"spacegroup": 99
},
{
"id": "jvasp-73969",
"created_at": "2022-09-04T14:35:54.026657Z",
"updated_at": "2022-09-04T14:35:54.026690Z",
"structure_string": "Ca1 Mn2 Be1\n1.0\n2.883505 0.000000 0.000000\n0.000000 2.883505 0.000000\n0.000000 0.000000 6.752883\nCa Mn Be\n1 2 1\ndirect\n0.499999 0.499999 0.750124 Ca\n0.000000 0.000000 0.079373 Mn\n0.499999 0.499999 0.250015 Mn\n0.000000 0.000000 0.420488 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Be"
],
"chemical_system": "Be-Ca-Mn",
"density": 4.701359308797139,
"density_atomic": 0.07124089198165705,
"volume": 56.147528318846874,
"volume_molar": 8.453207971554551,
"formula_full": "Ca1 Mn2 Be1",
"formula_reduced": "CaMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.532817750689655,
"spacegroup": 99
},
{
"id": "jvasp-68154",
"created_at": "2022-09-04T14:35:51.756799Z",
"updated_at": "2022-09-04T14:35:51.756816Z",
"structure_string": "Ca1 Mn2 Be1\n1.0\n-1.997828 1.997828 4.030562\n1.997828 -1.997828 4.030562\n1.997828 1.997828 -4.030562\nCa Mn Be\n1 2 1\ndirect\n0.750000 0.250000 0.500001 Ca\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500001 Mn\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Be"
],
"chemical_system": "Be-Ca-Mn",
"density": 4.102157193828374,
"density_atomic": 0.0621610301068598,
"volume": 64.34899796743521,
"volume_molar": 9.687968088121218,
"formula_full": "Ca1 Mn2 Be1",
"formula_reduced": "CaMn2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.625450250689655,
"spacegroup": 119
},
{
"id": "jvasp-15586",
"created_at": "2022-09-04T14:36:49.967298Z",
"updated_at": "2022-09-04T14:36:49.967320Z",
"structure_string": "Ca1 Mn2 As2\n1.0\n1.987726 -3.442843 -0.000000\n1.987726 3.442843 0.000000\n-0.000000 -0.000000 6.977058\nCa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.385178 Mn\n0.666668 0.333334 0.614822 Mn\n0.666668 0.333334 0.269000 As\n0.333334 0.666668 0.731000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"As"
],
"chemical_system": "As-Ca-Mn",
"density": 5.213156158881378,
"density_atomic": 0.0523593128601893,
"volume": 95.4939957548924,
"volume_molar": 11.50156568341609,
"formula_full": "Ca1 Mn2 As2",
"formula_reduced": "Ca(MnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6061996805517245,
"spacegroup": 164
},
{
"id": "jvasp-116963",
"created_at": "2022-09-04T14:38:47.717465Z",
"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ca",
"Mn"
],
"chemical_system": "Ca-Mn",
"density": 8.126210290296271,
"density_atomic": 0.08991569328731767,
"volume": 322.52434408010464,
"volume_molar": 6.697541374403665,
"formula_full": "Ca1 Mn28",
"formula_reduced": "CaMn28",
"formula_anonymous": "AB28",
"energy_above_hull": 5.241543213055886,
"spacegroup": 217
},
{
"id": "jvasp-102793",
"created_at": "2022-09-04T14:36:57.741463Z",
"updated_at": "2022-09-04T14:36:57.741491Z",
"structure_string": "Ca1 Mn1 Se2\n1.0\n3.858846 0.001652 5.743913\n1.751492 3.438455 5.743913\n0.002694 0.001652 6.919770\nCa Mn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500000 Mn\n0.242264 0.242263 0.242264 Se\n0.757737 0.757734 0.757737 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Se"
],
"chemical_system": "Ca-Mn-Se",
"density": 4.579187649594004,
"density_atomic": 0.0436102534960385,
"volume": 91.72154893260034,
"volume_molar": 13.809001959933678,
"formula_full": "Ca1 Mn1 Se2",
"formula_reduced": "CaMnSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3407785986781608,
"spacegroup": 166
},
{
"id": "jvasp-102346",
"created_at": "2022-09-04T14:36:39.375486Z",
"updated_at": "2022-09-04T14:36:39.375516Z",
"structure_string": "Ca1 Mn1 S2\n1.0\n3.467762 -0.031012 5.044002\n1.543809 3.105316 5.044002\n-0.050555 -0.031012 6.120847\nCa Mn S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500001 0.499999 Mn\n0.231657 0.231657 0.231656 S\n0.768343 0.768345 0.768342 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"S"
],
"chemical_system": "Ca-Mn-S",
"density": 3.926364676668208,
"density_atomic": 0.059429992787213996,
"volume": 67.30608254188743,
"volume_molar": 10.133167576785619,
"formula_full": "Ca1 Mn1 S2",
"formula_reduced": "CaMnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6155519153448274,
"spacegroup": 166
},
{
"id": "jvasp-36644",
"created_at": "2022-09-04T14:37:17.448923Z",
"updated_at": "2022-09-04T14:37:17.448944Z",
"structure_string": "Ca1 Mn1 O3\n1.0\n3.758618 -0.000000 0.000000\n-0.000000 3.758618 -0.000000\n0.000000 -0.000000 3.758618\nCa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.472432836578658,
"density_atomic": 0.09416411662639075,
"volume": 53.098783051703194,
"volume_molar": 6.39536691444118,
"formula_full": "Ca1 Mn1 O3",
"formula_reduced": "CaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.861191632275862,
"spacegroup": 221
}
]
}