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=309",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=307",
"results": [
{
"id": "jvasp-81648",
"created_at": "2022-09-04T14:37:16.252093Z",
"updated_at": "2022-09-04T14:37:16.252118Z",
"structure_string": "Y2 Mg1 Tl1\n1.0\n-12.516620 3.202233 -2.024977\n-8.741980 1.904595 1.642436\n-7.690243 4.855183 -0.193668\nY Mg Tl\n2 1 1\ndirect\n0.758587 0.995452 0.995452 Y\n0.241404 0.004557 0.004551 Y\n-0.000006 0.000006 0.000013 Mg\n0.500018 -0.000014 -0.000019 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 5.877364373079979,
"density_atomic": 0.03482835479924065,
"volume": 114.8489506052468,
"volume_molar": 17.290913667077085,
"formula_full": "Y2 Mg1 Tl1",
"formula_reduced": "Y2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0444456375,
"spacegroup": 12
},
{
"id": "jvasp-109315",
"created_at": "2022-09-04T14:38:18.829014Z",
"updated_at": "2022-09-04T14:38:18.829040Z",
"structure_string": "Y2 Mg1 Tl1\n1.0\n4.603930 -0.000000 2.658080\n1.534643 4.340627 2.658080\n-0.000000 -0.000000 5.316160\nY Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.749999 0.750001 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 6.353754417531295,
"density_atomic": 0.0376513687282344,
"volume": 106.23783769646701,
"volume_molar": 15.994480316153963,
"formula_full": "Y2 Mg1 Tl1",
"formula_reduced": "Y2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0068806375,
"spacegroup": 225
},
{
"id": "jvasp-107708",
"created_at": "2022-09-04T14:36:58.353588Z",
"updated_at": "2022-09-04T14:36:58.353608Z",
"structure_string": "Y4 Mg2 Si4\n1.0\n7.161718 -0.000000 0.000000\n0.000000 7.161718 0.000000\n-0.000000 -0.000000 4.211188\nY Mg Si\n4 2 4\ndirect\n0.678728 0.178727 0.500000 Y\n0.321273 0.821273 0.500000 Y\n0.178727 0.321273 0.500000 Y\n0.821273 0.678728 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.118575 0.618575 -0.000000 Si\n0.881426 0.381425 -0.000000 Si\n0.618575 0.881426 -0.000000 Si\n0.381425 0.118575 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Y",
"density": 3.971401135293914,
"density_atomic": 0.046297862150285765,
"volume": 215.99269459871329,
"volume_molar": 13.00738410005143,
"formula_full": "Y4 Mg2 Si4",
"formula_reduced": "Y2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.24102343,
"spacegroup": 127
},
{
"id": "jvasp-11406",
"created_at": "2022-09-04T14:37:32.611249Z",
"updated_at": "2022-09-04T14:37:32.611267Z",
"structure_string": "Y4 Mg2 Se8\n1.0\n7.119376 -0.000000 4.110374\n2.373125 6.712213 4.110374\n-0.000000 -0.000000 8.220748\nY Mg Se\n4 2 8\ndirect\n0.500001 0.500000 0.499999 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500001 0.500000 -0.000001 Y\n0.875001 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.254209 0.254208 0.737374 Se\n0.745793 0.745791 0.745791 Se\n0.745793 0.745791 0.262625 Se\n0.254209 0.737374 0.254208 Se\n0.254209 0.254208 0.254208 Se\n0.262627 0.745791 0.745791 Se\n0.745792 0.262626 0.745791 Se\n0.737374 0.254208 0.254208 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.378784308221622,
"density_atomic": 0.03563764853245809,
"volume": 392.84297860587145,
"volume_molar": 16.89825509815876,
"formula_full": "Y4 Mg2 Se8",
"formula_reduced": "Y2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4585933452380953,
"spacegroup": 227
},
{
"id": "jvasp-113049",
"created_at": "2022-09-04T14:38:44.867021Z",
"updated_at": "2022-09-04T14:38:44.867043Z",
"structure_string": "Y4 Mg2 S8\n1.0\n6.513809 0.000040 0.000000\n-5.416674 3.617919 0.000000\n-0.000000 -0.000000 12.824237\nY Mg S\n4 2 8\ndirect\n0.381684 0.618317 0.784785 Y\n0.618317 0.381683 0.284784 Y\n0.138629 0.861372 0.582767 Y\n0.861372 0.138628 0.082767 Y\n0.125343 0.874658 0.946448 Mg\n0.874658 0.125342 0.446448 Mg\n0.790636 0.209365 0.635191 S\n0.209365 0.790635 0.135191 S\n0.487330 0.512671 0.995482 S\n0.512671 0.487329 0.495482 S\n0.760490 0.239511 0.895325 S\n0.239511 0.760489 0.395325 S\n0.037467 0.962534 0.768003 S\n0.962534 0.037466 0.268003 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.6304387695771796,
"density_atomic": 0.04632321016874755,
"volume": 302.2243050298196,
"volume_molar": 13.000266471305354,
"formula_full": "Y4 Mg2 S8",
"formula_reduced": "Y2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7462871357142855,
"spacegroup": 36
},
{
"id": "jvasp-35954",
"created_at": "2022-09-04T14:38:18.561356Z",
"updated_at": "2022-09-04T14:38:18.561407Z",
"structure_string": "Y4 Mg2 S8\n1.0\n0.000000 5.566515 5.566515\n5.566523 -0.000000 5.566515\n5.566523 5.566515 -0.000000\nY Mg S\n4 2 8\ndirect\n0.624999 0.125000 0.625000 Y\n0.624999 0.625000 0.125000 Y\n0.125000 0.625000 0.625000 Y\n0.624999 0.625000 0.625000 Y\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379312 0.379317 0.379317 S\n0.862051 0.379317 0.379317 S\n0.379317 0.862052 0.379312 S\n0.379317 0.379312 0.862052 S\n0.870682 0.870687 0.387948 S\n0.870682 0.387948 0.870687 S\n0.387947 0.870682 0.870682 S\n0.870687 0.870682 0.870682 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.180590321830453,
"density_atomic": 0.04058329124663791,
"volume": 344.9695569271952,
"volume_molar": 14.83896592664573,
"formula_full": "Y4 Mg2 S8",
"formula_reduced": "Y2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7481899928571425,
"spacegroup": 227
},
{
"id": "jvasp-41555",
"created_at": "2022-09-04T14:37:49.453784Z",
"updated_at": "2022-09-04T14:37:49.453807Z",
"structure_string": "Y2 Mg1 Ru1\n1.0\n-0.000000 3.544811 3.544811\n3.544811 -0.000000 3.544811\n3.544811 3.544811 0.000000\nY Mg Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ru"
],
"chemical_system": "Mg-Ru-Y",
"density": 5.651321226803392,
"density_atomic": 0.044900454959992654,
"volume": 89.08595700342218,
"volume_molar": 13.412204320347906,
"formula_full": "Y2 Mg1 Ru1",
"formula_reduced": "Y2MgRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3040001125,
"spacegroup": 225
},
{
"id": "jvasp-50950",
"created_at": "2022-09-04T14:36:32.218930Z",
"updated_at": "2022-09-04T14:36:32.218953Z",
"structure_string": "Y4 Mg2 Ni4\n1.0\n7.356540 0.000142 0.000000\n0.000141 7.356637 0.000000\n0.000000 0.000000 3.723050\nY Mg Ni\n4 2 4\ndirect\n0.172083 0.672082 0.500000 Y\n0.327925 0.172077 0.500000 Y\n0.672078 0.827919 0.500000 Y\n0.827921 0.327915 0.500000 Y\n0.000003 -0.000003 0.000000 Mg\n0.500001 0.499997 0.000000 Mg\n0.122121 0.377879 0.000000 Ni\n0.377877 0.877872 0.000000 Ni\n0.622130 0.122124 0.000000 Ni\n0.877878 0.622122 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Y",
"density": 5.2662675169067,
"density_atomic": 0.0496304489271441,
"volume": 201.48921108248845,
"volume_molar": 12.133963907600975,
"formula_full": "Y4 Mg2 Ni4",
"formula_reduced": "Y2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4099109500000004,
"spacegroup": 127
},
{
"id": "jvasp-58075",
"created_at": "2022-09-04T14:36:49.384864Z",
"updated_at": "2022-09-04T14:36:49.384902Z",
"structure_string": "Y2 Mg1 Mn2 S2 O5\n1.0\n-3.899011 -0.000054 -0.001046\n-0.000072 -3.939350 -0.001011\n1.947103 1.966597 11.074481\nY Mg Mn S O\n2 1 2 2 5\ndirect\n0.662690 0.663965 0.325498 Y\n0.336971 0.338151 0.673856 Y\n0.998323 0.501063 0.999671 Mg\n0.907819 0.908957 0.815459 Mn\n0.091901 0.093161 0.183890 Mn\n0.795274 0.796440 0.590456 S\n0.204428 0.205662 0.408901 S\n0.396960 0.898154 0.793843 O\n0.602674 0.103972 0.205513 O\n0.907402 0.408728 0.814989 O\n0.091943 0.593399 0.184355 O\n0.999429 0.001057 -0.000331 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Y",
"Mg",
"Mn",
"S",
"O"
],
"chemical_system": "Mg-Mn-O-S-Y",
"density": 4.453135197209114,
"density_atomic": 0.07055358941607291,
"volume": 170.08347979622795,
"volume_molar": 8.535555469029173,
"formula_full": "Y2 Mg1 Mn2 S2 O5",
"formula_reduced": "Y2MgMn2S2O5",
"formula_anonymous": "AB2C2D2E5",
"energy_above_hull": 2.779901827729885,
"spacegroup": 71
},
{
"id": "jvasp-105881",
"created_at": "2022-09-04T14:36:20.350650Z",
"updated_at": "2022-09-04T14:36:20.350672Z",
"structure_string": "Y2 Mg1 Hg1\n1.0\n4.566192 0.000000 2.636292\n1.522064 4.305046 2.636292\n-0.000000 -0.000000 5.272583\nY Mg Hg\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Y",
"density": 6.451824754346802,
"density_atomic": 0.03859265002837639,
"volume": 103.64667876030491,
"volume_molar": 15.604372220026463,
"formula_full": "Y2 Mg1 Hg1",
"formula_reduced": "Y2MgHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.969473175,
"spacegroup": 225
},
{
"id": "jvasp-39710",
"created_at": "2022-09-04T14:37:39.366671Z",
"updated_at": "2022-09-04T14:37:39.366699Z",
"structure_string": "Y4 Mg2 Ge4\n1.0\n7.261402 0.000000 -0.000000\n0.000000 7.261402 0.000000\n0.000000 -0.000000 4.238309\nY Mg Ge\n4 2 4\ndirect\n0.177385 0.322614 0.500000 Y\n0.322614 0.822614 0.500000 Y\n0.677385 0.177385 0.500000 Y\n0.822614 0.677385 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.124140 0.624140 0.000000 Ge\n0.375860 0.124140 0.000000 Ge\n0.624140 0.875859 0.000000 Ge\n0.875859 0.375860 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Y",
"density": 5.162632421094151,
"density_atomic": 0.0447472574476278,
"volume": 223.4773832050825,
"volume_molar": 13.458122583374667,
"formula_full": "Y4 Mg2 Ge4",
"formula_reduced": "Y2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.23419037,
"spacegroup": 127
},
{
"id": "jvasp-81395",
"created_at": "2022-09-04T14:37:18.531979Z",
"updated_at": "2022-09-04T14:37:18.532000Z",
"structure_string": "Y2 Mg1 Ga1\n1.0\n-11.443634 2.459060 -2.509282\n-7.850643 0.449554 0.980096\n-6.505104 4.316937 -1.401174\nY Mg Ga\n2 1 1\ndirect\n0.724990 0.015818 0.015735 Y\n0.275009 -0.015817 -0.015734 Y\n0.000001 -0.000001 -0.000001 Mg\n0.499998 0.000001 0.000001 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Y",
"density": 4.982244861278727,
"density_atomic": 0.044149224511027395,
"volume": 90.60181790964184,
"volume_molar": 13.640422514093803,
"formula_full": "Y2 Mg1 Ga1",
"formula_reduced": "Y2MgGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.11042056875,
"spacegroup": 12
}
]
}