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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=81",
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"results": [
{
"id": "jvasp-101044",
"created_at": "2022-09-04T14:36:34.581437Z",
"updated_at": "2022-09-04T14:36:34.581451Z",
"structure_string": "Zr6 Si2\n1.0\n6.078656 0.000000 0.000000\n-3.039328 5.264270 0.000000\n-0.000000 -0.000000 4.984060\nZr Si\n6 2\ndirect\n0.171662 0.343324 0.250000 Zr\n0.656676 0.828338 0.250000 Zr\n0.171662 0.828338 0.250000 Zr\n0.828338 0.656676 0.750000 Zr\n0.343325 0.171662 0.750000 Zr\n0.828338 0.171662 0.750000 Zr\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"formula_full": "Zr6 Si2",
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{
"id": "jvasp-112563",
"created_at": "2022-09-04T14:38:41.460994Z",
"updated_at": "2022-09-04T14:38:41.461025Z",
"structure_string": "Zr5 Zn4 Si4\n1.0\n7.877349 -0.002620 -0.464261\n-7.002009 3.608946 -0.464261\n0.000636 0.002620 7.891018\nZr Zn Si\n5 4 4\ndirect\n0.371460 0.299130 0.670590 Zr\n0.628541 0.700871 0.329411 Zr\n0.700871 0.371460 0.072330 Zr\n0.299131 0.628541 0.927671 Zr\n0.000000 0.000000 0.000000 Zr\n0.105068 0.412445 0.517514 Zn\n0.894934 0.587556 0.482487 Zn\n0.587556 0.105068 0.692623 Zn\n0.412446 0.894934 0.307378 Zn\n0.243516 0.060484 0.303998 Si\n0.756486 0.939517 0.696003 Si\n0.939517 0.243516 0.183032 Si\n0.060485 0.756485 0.816969 Si\n",
"nsites": 13,
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"elements": [
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"density_atomic": 0.057981983037509885,
"volume": 224.20757826771808,
"volume_molar": 10.386227659899347,
"formula_full": "Zr5 Zn4 Si4",
"formula_reduced": "Zr5(ZnSi)4",
"formula_anonymous": "A4B4C5",
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"spacegroup": 87
},
{
"id": "jvasp-78988",
"created_at": "2022-09-04T14:37:11.844838Z",
"updated_at": "2022-09-04T14:37:11.844855Z",
"structure_string": "Zn1 Si3\n1.0\n3.994014 0.000000 -0.000000\n-0.000000 3.994014 -0.000000\n0.000000 0.000000 3.994014\nZn Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499999 0.499999 Si\n0.499999 0.000000 0.499999 Si\n0.499999 0.499999 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Si"
],
"chemical_system": "Si-Zn",
"density": 3.9006955047036493,
"density_atomic": 0.06278143566644938,
"volume": 63.71310177186047,
"volume_molar": 9.592231678158731,
"formula_full": "Zn1 Si3",
"formula_reduced": "ZnSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2131957333333334,
"spacegroup": 221
},
{
"id": "jvasp-110484",
"created_at": "2022-09-04T14:38:40.043776Z",
"updated_at": "2022-09-04T14:38:40.043803Z",
"structure_string": "Zn3 Si1\n1.0\n3.618156 0.000228 -3.259684\n-0.716518 3.546499 -3.259684\n-0.000186 -0.000228 4.869969\nZn Si\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000001 Zn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Si-Zn",
"density": 5.961026475653514,
"density_atomic": 0.06401451639632709,
"volume": 62.48582704640263,
"volume_molar": 9.407461149461293,
"formula_full": "Zn3 Si1",
"formula_reduced": "Zn3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-110521",
"created_at": "2022-09-04T14:38:37.459324Z",
"updated_at": "2022-09-04T14:38:37.459340Z",
"structure_string": "Y1 Zn1 Si1\n1.0\n4.117229 -0.000000 0.000000\n-2.058614 3.565624 -0.000000\n0.000000 0.000000 4.049378\nY Zn Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666666 0.500000 Zn\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Zn",
"Si"
],
"chemical_system": "Si-Y-Zn",
"density": 5.0950198268971105,
"density_atomic": 0.05046524293923,
"volume": 59.446855405265474,
"volume_molar": 11.933244366329184,
"formula_full": "Y1 Zn1 Si1",
"formula_reduced": "YZnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1031848166666665,
"spacegroup": 187
},
{
"id": "jvasp-99549",
"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Zn",
"Si"
],
"chemical_system": "Si-Yb-Zn",
"density": 6.6210628588202605,
"density_atomic": 0.05537466777732192,
"volume": 90.29399544402675,
"volume_molar": 10.875263006934556,
"formula_full": "Yb1 Zn2 Si2",
"formula_reduced": "Yb(ZnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4280137399999999,
"spacegroup": 139
},
{
"id": "jvasp-14269",
"created_at": "2022-09-04T14:36:33.866615Z",
"updated_at": "2022-09-04T14:36:33.866631Z",
"structure_string": "Yb2 Si2\n1.0\n3.876533 -0.000000 0.000000\n-0.000000 4.180944 -1.694275\n-0.000000 -0.097518 5.765127\nYb Si\n2 2\ndirect\n0.250000 0.860942 0.721886 Yb\n0.749999 0.139057 0.278113 Yb\n0.250000 0.570912 0.141825 Si\n0.749999 0.429086 0.858174 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Si"
],
"chemical_system": "Si-Yb",
"density": 7.197914817890622,
"density_atomic": 0.04310428685254415,
"volume": 92.79819461307031,
"volume_molar": 13.971094755844577,
"formula_full": "Yb2 Si2",
"formula_reduced": "YbSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.4857046499999997,
"spacegroup": 63
},
{
"id": "jvasp-110485",
"created_at": "2022-09-04T14:38:38.470240Z",
"updated_at": "2022-09-04T14:38:38.470260Z",
"structure_string": "Yb6 Si2\n1.0\n6.693849 -0.000000 -0.000000\n-3.346924 5.797043 -0.000000\n0.000000 0.000000 5.238316\nYb Si\n6 2\ndirect\n0.175824 0.351648 0.250000 Yb\n0.648352 0.824176 0.250000 Yb\n0.175824 0.824176 0.250000 Yb\n0.824177 0.648352 0.750001 Yb\n0.351648 0.175823 0.750001 Yb\n0.824177 0.175823 0.750001 Yb\n0.333333 0.666667 0.750001 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
"Yb",
"Si"
],
"chemical_system": "Si-Yb",
"density": 8.940368512195072,
"density_atomic": 0.039356444805702065,
"volume": 203.27039293043407,
"volume_molar": 15.301536482094788,
"formula_full": "Yb6 Si2",
"formula_reduced": "Yb3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1120901749999999,
"spacegroup": 194
},
{
"id": "jvasp-93889",
"created_at": "2022-09-04T14:35:55.311758Z",
"updated_at": "2022-09-04T14:35:55.311785Z",
"structure_string": "Yb2 Si4\n1.0\n4.236293 -0.000000 0.000000\n-0.000000 4.236293 0.000000\n-2.118147 -2.118147 6.777414\nYb Si\n2 4\ndirect\n0.125000 0.874999 0.250000 Yb\n0.874999 0.124999 0.750000 Yb\n0.459720 0.709720 0.919443 Si\n0.709721 0.459721 0.419443 Si\n0.540278 0.290278 0.080557 Si\n0.290278 0.540277 0.580556 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
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],
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"density": 6.258619563748273,
"density_atomic": 0.04933047016400634,
"volume": 121.62868061164075,
"volume_molar": 12.207750584939724,
"formula_full": "Yb2 Si4",
"formula_reduced": "YbSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.482972633333333,
"spacegroup": 141
},
{
"id": "jvasp-14057",
"created_at": "2022-09-04T14:35:56.725515Z",
"updated_at": "2022-09-04T14:35:56.725535Z",
"structure_string": "Yb3 Si5\n1.0\n3.449933 -5.975460 -0.000000\n3.449933 5.975460 0.000000\n-0.000000 -0.000000 4.235485\nYb Si\n3 5\ndirect\n-0.000000 0.337171 0.000000 Yb\n0.337171 -0.000000 0.000000 Yb\n0.662829 0.662829 0.000000 Yb\n0.666667 0.333333 0.499999 Si\n0.333333 0.666667 0.499999 Si\n-0.000000 0.687563 0.499999 Si\n0.312437 0.312437 0.499999 Si\n0.687563 -0.000000 0.499999 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 6.271624208879776,
"density_atomic": 0.04581153447507532,
"volume": 174.62850986474945,
"volume_molar": 13.14546833893212,
"formula_full": "Yb3 Si5",
"formula_reduced": "Yb3Si5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.8831468875,
"spacegroup": 189
},
{
"id": "jvasp-19805",
"created_at": "2022-09-04T14:38:14.345948Z",
"updated_at": "2022-09-04T14:38:14.345967Z",
"structure_string": "Yb1 Si2\n1.0\n2.045923 -3.543643 0.000000\n2.045923 3.543643 -0.000000\n-0.000000 0.000000 4.149993\nYb Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333332 0.666666 0.500000 Si\n0.666666 0.333332 0.500000 Si\n",
"nsites": 3,
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"density": 6.325108007641023,
"density_atomic": 0.04985453240557486,
"volume": 60.17507045486866,
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"formula_full": "Yb1 Si2",
"formula_reduced": "YbSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5056493,
"spacegroup": 191
},
{
"id": "jvasp-16289",
"created_at": "2022-09-04T14:37:49.272995Z",
"updated_at": "2022-09-04T14:37:49.273017Z",
"structure_string": "Yb2 Si2\n1.0\n3.876540 -0.000000 0.000000\n-0.000000 4.180965 -1.694284\n0.000000 -0.097541 5.765101\nYb Si\n2 2\ndirect\n0.250000 0.860946 0.721891 Yb\n0.750000 0.139055 0.278110 Yb\n0.250000 0.570914 0.141828 Si\n0.750000 0.429087 0.858173 Si\n",
"nsites": 4,
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],
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"density": 7.1979100842562245,
"density_atomic": 0.04310425850545474,
"volume": 92.79825564088546,
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"formula_full": "Yb2 Si2",
"formula_reduced": "YbSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.4857046499999997,
"spacegroup": 63
}
]
}