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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-19736",
"created_at": "2022-09-04T14:37:48.619977Z",
"updated_at": "2022-09-04T14:37:48.620003Z",
"structure_string": "Zr2 Si4\n1.0\n3.696401 0.000000 0.000000\n-0.000000 3.609009 -0.918927\n-0.000000 0.041597 7.709880\nZr Si\n2 4\ndirect\n0.750000 0.105975 0.211950 Zr\n0.250000 0.894026 0.788050 Zr\n0.250000 0.552782 0.105563 Si\n0.750000 0.447219 0.894436 Si\n0.750000 0.749665 0.499330 Si\n0.250000 0.250336 0.500670 Si\n",
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"elements": [
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"volume": 102.99374854671,
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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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"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": [
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],
"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": [
"Y",
"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,
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"elements": [
"Yb",
"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",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4280137399999999,
"spacegroup": 139
},
{
"id": "jvasp-14669",
"created_at": "2022-09-04T14:35:53.699118Z",
"updated_at": "2022-09-04T14:35:53.699145Z",
"structure_string": "Yb3 Si5\n1.0\n3.449933 -5.975460 -0.000000\n3.449933 5.975460 -0.000000\n0.000000 -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,
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"elements": [
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"Si"
],
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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-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,
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"elements": [
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"Si"
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"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-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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"elements": [
"Yb",
"Si"
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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-98477",
"created_at": "2022-09-04T14:35:49.683364Z",
"updated_at": "2022-09-04T14:35:49.683391Z",
"structure_string": "Yb20 Si16\n1.0\n7.434637 -0.000000 0.000000\n-0.000000 7.797421 0.000000\n0.000000 0.000000 15.335237\nYb Si\n20 16\ndirect\n0.817213 0.318878 0.622675 Yb\n0.317212 0.181122 0.622675 Yb\n0.817213 0.318878 0.877325 Yb\n0.182788 0.681122 0.377325 Yb\n0.682788 0.818878 0.122675 Yb\n0.970100 0.820796 0.597413 Yb\n0.470100 0.679204 0.902588 Yb\n0.682788 0.818878 0.377325 Yb\n0.529900 0.320796 0.402588 Yb\n0.029900 0.179204 0.402588 Yb\n0.529900 0.320796 0.097413 Yb\n0.470100 0.679204 0.597413 Yb\n0.970100 0.820796 0.902588 Yb\n0.359423 0.008693 0.250000 Yb\n0.859424 0.491307 0.250000 Yb\n0.029900 0.179204 0.097413 Yb\n0.182788 0.681122 0.122675 Yb\n0.640577 0.991307 0.750000 Yb\n0.317212 0.181122 0.877325 Yb\n0.140577 0.508693 0.750000 Yb\n0.360297 0.974486 0.037055 Si\n0.639703 0.025514 0.537055 Si\n0.139703 0.474486 0.962945 Si\n0.139703 0.474486 0.537055 Si\n0.639703 0.025514 0.962945 Si\n0.360297 0.974486 0.462945 Si\n0.860297 0.525514 0.037055 Si\n0.973556 0.904476 0.250000 Si\n0.526445 0.404476 0.750000 Si\n0.026445 0.095524 0.750000 Si\n0.251148 0.378097 0.250000 Si\n0.751148 0.121903 0.250000 Si\n0.248852 0.878097 0.750000 Si\n0.748853 0.621903 0.750000 Si\n0.473556 0.595524 0.250000 Si\n0.860297 0.525514 0.462945 Si\n",
"nsites": 36,
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"elements": [
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],
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"density": 7.3037057877483385,
"density_atomic": 0.04049498630727107,
"volume": 888.9989424082364,
"volume_molar": 14.871324351870925,
"formula_full": "Yb20 Si16",
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"formula_anonymous": "A4B5",
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"spacegroup": 62
},
{
"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": [
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"density": 8.940368512195072,
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"volume": 203.27039293043407,
"volume_molar": 15.301536482094788,
"formula_full": "Yb6 Si2",
"formula_reduced": "Yb3Si",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"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",
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"formula_full": "Yb3 Si5",
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"spacegroup": 189
}
]
}