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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=496",
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"results": [
{
"id": "jvasp-21074",
"created_at": "2022-09-04T14:38:31.203496Z",
"updated_at": "2022-09-04T14:38:31.203522Z",
"structure_string": "Tm1 Mn6 Ge6\n1.0\n2.583817 -4.475303 0.000000\n2.583817 4.475303 -0.000000\n0.000000 0.000000 8.108955\nTm Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.250409 Mn\n0.500001 0.500001 0.749592 Mn\n0.500000 0.000000 0.749592 Mn\n0.000000 0.500000 0.749592 Mn\n0.500001 0.500001 0.250409 Mn\n0.500000 0.000000 0.250409 Mn\n0.000000 0.000000 0.342443 Ge\n0.333334 0.666667 0.500000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.000000 Ge\n0.000000 0.000000 0.657557 Ge\n",
"nsites": 13,
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"density": 8.273780557237542,
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"volume": 187.5335961878567,
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"formula_full": "Tm1 Mn6 Ge6",
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{
"id": "jvasp-21126",
"created_at": "2022-09-04T14:37:40.140592Z",
"updated_at": "2022-09-04T14:37:40.140615Z",
"structure_string": "Tm1 Mn6 Ga2 Sn4\n1.0\n2.674262 -4.631957 0.000000\n2.674262 4.631957 0.000000\n-0.000000 0.000000 8.738650\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 -0.000000 0.234960 Mn\n-0.000000 0.500000 0.765040 Mn\n0.500000 0.500000 0.765040 Mn\n0.500000 0.500000 0.234960 Mn\n-0.000000 0.500000 0.234960 Mn\n0.500000 -0.000000 0.765040 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.330850 Sn\n0.000000 0.000000 0.669149 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 13,
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],
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"density": 8.535762468108954,
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"volume": 216.49247892623535,
"volume_molar": 10.028832165962482,
"formula_full": "Tm1 Mn6 Ga2 Sn4",
"formula_reduced": "TmMn6(GaSn2)2",
"formula_anonymous": "AB2C4D6",
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"spacegroup": 191
},
{
"id": "jvasp-106305",
"created_at": "2022-09-04T14:38:13.945417Z",
"updated_at": "2022-09-04T14:38:13.945442Z",
"structure_string": "Tm1 Mn2 Si2\n1.0\n3.643609 -0.007453 -4.538595\n-0.456562 3.614899 -4.538595\n0.006584 0.007453 5.820197\nTm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500001 Mn\n0.250000 0.750000 0.500001 Mn\n0.380765 0.380765 0.000001 Si\n0.619236 0.619236 0.000002 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tm",
"density": 7.234677690535509,
"density_atomic": 0.06503086503738092,
"volume": 76.88656758795857,
"volume_molar": 9.260434651358803,
"formula_full": "Tm1 Mn2 Si2",
"formula_reduced": "Tm(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3142251865517234,
"spacegroup": 139
},
{
"id": "jvasp-15295",
"created_at": "2022-09-04T14:36:58.544754Z",
"updated_at": "2022-09-04T14:36:58.544784Z",
"structure_string": "Tm1 Mn2 Ge2\n1.0\n3.688846 0.000000 -1.264846\n-0.433695 3.663263 -1.264846\n0.014473 0.016287 6.053780\nTm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.618228 0.618228 0.236457 Ge\n0.381771 0.381772 0.763541 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tm",
"density": 8.592431024653926,
"density_atomic": 0.061006852926061846,
"volume": 81.95800570240566,
"volume_molar": 9.871252934975391,
"formula_full": "Tm1 Mn2 Ge2",
"formula_reduced": "Tm(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.3478841265517243,
"spacegroup": 139
},
{
"id": "jvasp-37363",
"created_at": "2022-09-04T14:37:58.401204Z",
"updated_at": "2022-09-04T14:37:58.401223Z",
"structure_string": "Tm1 Mn1 Rh2\n1.0\n0.000010 3.206089 3.206122\n3.206144 0.000000 3.206133\n3.206169 3.206125 -0.000027\nTm Mn Rh\n1 1 2\ndirect\n0.749998 0.749998 0.750001 Tm\n0.250001 0.249999 0.250000 Mn\n0.000003 0.999997 -0.000001 Rh\n0.499997 0.499999 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Tm",
"density": 10.824874269815895,
"density_atomic": 0.06068555460432027,
"volume": 65.91354443542048,
"volume_molar": 9.923516064515422,
"formula_full": "Tm1 Mn1 Rh2",
"formula_reduced": "TmMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.704241872844828,
"spacegroup": 225
},
{
"id": "jvasp-104911",
"created_at": "2022-09-04T14:36:44.797622Z",
"updated_at": "2022-09-04T14:36:44.797645Z",
"structure_string": "Tm1 Mn1 In1\n1.0\n4.704067 0.000000 0.000000\n-2.352034 4.073841 0.000000\n-0.000000 -0.000000 3.436297\nTm Mn In\n1 1 1\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666666 0.500000 In\n",
"nsites": 3,
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"elements": [
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"Mn",
"In"
],
"chemical_system": "In-Mn-Tm",
"density": 8.540504622543775,
"density_atomic": 0.045556776662643975,
"volume": 65.85189339042867,
"volume_molar": 13.218979043655839,
"formula_full": "Tm1 Mn1 In1",
"formula_reduced": "TmMnIn",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-37589",
"created_at": "2022-09-04T14:38:11.416353Z",
"updated_at": "2022-09-04T14:38:11.416369Z",
"structure_string": "Tm1 Mn12\n1.0\n-4.116774 4.116774 2.277606\n4.116774 -4.116774 2.277606\n4.116774 4.116774 -2.277606\nTm Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.500001 Mn\n0.500002 1.000000 0.000000 Mn\n1.000000 0.500002 0.000000 Mn\n-0.000000 0.364349 0.364349 Mn\n0.000000 0.635650 0.635650 Mn\n0.635650 0.000000 0.635650 Mn\n0.364349 -0.000000 0.364349 Mn\n0.499999 0.275532 0.775532 Mn\n0.500001 0.724467 0.224466 Mn\n0.724467 0.500001 0.224466 Mn\n0.275532 0.499999 0.775532 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tm",
"Mn"
],
"chemical_system": "Mn-Tm",
"density": 8.906905230348231,
"density_atomic": 0.08419585484041656,
"volume": 154.40190048120525,
"volume_molar": 7.152538294687153,
"formula_full": "Tm1 Mn12",
"formula_reduced": "TmMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.931567011273209,
"spacegroup": 139
},
{
"id": "jvasp-37386",
"created_at": "2022-09-04T14:37:56.161076Z",
"updated_at": "2022-09-04T14:37:56.161101Z",
"structure_string": "Tm1 Mg5\n1.0\n1.623426 -2.811855 0.000000\n1.623426 2.811855 -0.000000\n0.000000 -0.000000 15.877038\nTm Mg\n1 5\ndirect\n0.666668 0.333335 0.000000 Tm\n0.000000 0.000000 0.824491 Mg\n0.666668 0.333335 0.661853 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333335 0.338147 Mg\n0.000000 0.000000 0.175509 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Tm",
"density": 3.327433240035235,
"density_atomic": 0.0413929474253955,
"volume": 144.9522291403406,
"volume_molar": 14.548712122648414,
"formula_full": "Tm1 Mg5",
"formula_reduced": "TmMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0517016349999998,
"spacegroup": 187
},
{
"id": "jvasp-102573",
"created_at": "2022-09-04T14:36:52.273914Z",
"updated_at": "2022-09-04T14:36:52.273940Z",
"structure_string": "Tm1 Mg3\n1.0\n4.615481 -0.000000 0.000000\n0.000000 4.615481 -0.000000\n0.000000 -0.000000 4.564782\nTm Mg\n1 3\ndirect\n0.500000 0.500000 -0.000000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 4.129902452070725,
"density_atomic": 0.04113448028221203,
"volume": 97.24202111117319,
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"formula_full": "Tm1 Mg3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-37384",
"created_at": "2022-09-04T14:37:58.904429Z",
"updated_at": "2022-09-04T14:37:58.904444Z",
"structure_string": "Tm1 Mg2 Sc1\n1.0\n0.000000 3.652277 3.652277\n3.652277 0.000000 3.652277\n3.652277 3.652277 -0.000000\nTm Mg Sc\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.249999 0.249999 0.249999 Sc\n",
"nsites": 4,
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"elements": [
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"density": 4.4736034673330645,
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"formula_full": "Tm1 Mg2 Sc1",
"formula_reduced": "TmMg2Sc",
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"spacegroup": 225
},
{
"id": "jvasp-37611",
"created_at": "2022-09-04T14:37:47.740605Z",
"updated_at": "2022-09-04T14:37:47.740620Z",
"structure_string": "Tm1 Mg2\n1.0\n-1.874982 -0.000000 -2.643232\n0.000000 -5.173226 -0.000000\n-3.653369 2.586611 2.592923\nTm Mg\n1 2\ndirect\n0.666666 0.416667 0.666667 Tm\n0.166579 0.083333 0.000000 Mg\n0.166753 0.750000 0.333334 Mg\n",
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"volume": 75.10689090373297,
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"formula_full": "Tm1 Mg2",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-41419",
"created_at": "2022-09-04T14:38:02.265241Z",
"updated_at": "2022-09-04T14:38:02.265262Z",
"structure_string": "Tm1 Mg1 Zn2\n1.0\n-0.000000 3.370444 3.370444\n3.370444 0.000000 3.370444\n3.370444 3.370444 -0.000000\nTm Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"spacegroup": 225
}
]
}