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{
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"results": [
{
"id": "jvasp-107689",
"created_at": "2022-09-04T14:36:56.515671Z",
"updated_at": "2022-09-04T14:36:56.515718Z",
"structure_string": "Pm1 Pr1 Zn2\n1.0\n4.494769 -0.000000 2.595056\n1.498256 4.237709 2.595056\n-0.000000 -0.000000 5.190112\nPm Pr Zn\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750000 0.750000 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
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"density": 6.999775198765305,
"density_atomic": 0.040461758521357194,
"volume": 98.85877792208794,
"volume_molar": 14.883536900209847,
"formula_full": "Pm1 Pr1 Zn2",
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},
{
"id": "jvasp-79033",
"created_at": "2022-09-04T14:37:11.721114Z",
"updated_at": "2022-09-04T14:37:11.721123Z",
"structure_string": "Hg3 Rh1\n1.0\n-2.068015 2.068015 4.634913\n2.068015 -2.068015 4.634913\n2.068015 2.068015 -4.634913\nHg Rh\n3 1\ndirect\n0.750002 0.250000 0.500001 Hg\n0.250000 0.750002 0.500001 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
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"density": 14.758061737984137,
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"volume": 79.28827089902948,
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"formula_full": "Hg3 Rh1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-105605",
"created_at": "2022-09-04T14:36:32.587671Z",
"updated_at": "2022-09-04T14:36:32.587696Z",
"structure_string": "K2 Pr1 Cu1 Cl6\n1.0\n6.407125 0.000000 3.699156\n2.135708 6.040696 3.699156\n-0.000000 -0.000000 7.398310\nK Pr Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.750000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.239433 0.239433 0.760567 Cl\n0.239433 0.760568 0.760568 Cl\n0.760568 0.760568 0.239433 Cl\n0.239433 0.760568 0.239433 Cl\n0.760568 0.239433 0.760568 Cl\n0.760568 0.239433 0.239433 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Pr",
"density": 2.872728367027059,
"density_atomic": 0.03492346269156409,
"volume": 286.34044935113326,
"volume_molar": 17.24382491274175,
"formula_full": "K2 Pr1 Cu1 Cl6",
"formula_reduced": "K2PrCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr",
"density": 3.431081473147026,
"density_atomic": 0.03924171820730903,
"volume": 560.6278472256689,
"volume_molar": 15.346271863494335,
"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-64515",
"created_at": "2022-09-04T14:35:43.978087Z",
"updated_at": "2022-09-04T14:35:43.978111Z",
"structure_string": "Ba4 Mg1 In1\n1.0\n0.000000 5.125451 5.125451\n5.125451 -0.000000 5.125451\n5.125451 5.125451 -0.000000\nBa Mg In\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 4.245054421538064,
"density_atomic": 0.022280503291569158,
"volume": 269.2937372860142,
"volume_molar": 27.02874652871397,
"formula_full": "Ba4 Mg1 In1",
"formula_reduced": "Ba4MgIn",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-105687",
"created_at": "2022-09-04T14:35:56.429241Z",
"updated_at": "2022-09-04T14:35:56.429262Z",
"structure_string": "Rb3 In1 Br6\n1.0\n7.138301 0.000000 4.121300\n2.379433 6.730055 4.121300\n0.000000 0.000000 8.242600\nRb In Br\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.770014 0.229985 0.229986 Br\n0.229986 0.229985 0.770015 Br\n0.229985 0.770014 0.770015 Br\n0.229985 0.770014 0.229986 Br\n0.770014 0.229985 0.770015 Br\n0.770014 0.770014 0.229986 Br\n",
"nsites": 10,
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"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.5671384047968875,
"density_atomic": 0.02525354230036673,
"volume": 395.9840517048882,
"volume_molar": 23.846716980819544,
"formula_full": "Rb3 In1 Br6",
"formula_reduced": "Rb3InBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102416",
"created_at": "2022-09-04T14:36:47.280964Z",
"updated_at": "2022-09-04T14:36:47.280987Z",
"structure_string": "Rb2 Na1 Nd1 I6\n1.0\n7.508271 -0.000000 4.334902\n2.502757 7.078866 4.334902\n-0.000000 -0.000000 8.669805\nRb Na Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748807 0.251193 0.251193 I\n0.251193 0.251193 0.748806 I\n0.251193 0.748807 0.748806 I\n0.251193 0.748807 0.251192 I\n0.748807 0.251193 0.748806 I\n0.748807 0.748807 0.251192 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Nd",
"I"
],
"chemical_system": "I-Na-Nd-Rb",
"density": 3.9624935956802294,
"density_atomic": 0.021701364407587753,
"volume": 460.800519828309,
"volume_molar": 27.75005592687248,
"formula_full": "Rb2 Na1 Nd1 I6",
"formula_reduced": "Rb2NaNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105899",
"created_at": "2022-09-04T14:35:55.587692Z",
"updated_at": "2022-09-04T14:35:55.587733Z",
"structure_string": "Ho3 Cd3 Au3\n1.0\n7.772379 -0.000000 0.000000\n-3.886190 6.731078 0.000000\n0.000000 -0.000000 3.848801\nHo Cd Au\n3 3 3\ndirect\n0.599081 0.000000 0.000000 Ho\n0.000000 0.599081 0.000000 Ho\n0.400919 0.400919 0.000000 Ho\n0.265761 0.000000 0.500000 Cd\n0.000000 0.265761 0.500000 Cd\n0.734239 0.734239 0.500000 Cd\n0.333333 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Ho",
"density": 11.734555699344522,
"density_atomic": 0.04469700874104626,
"volume": 201.35575631339952,
"volume_molar": 13.473252303950561,
"formula_full": "Ho3 Cd3 Au3",
"formula_reduced": "HoCdAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-99381",
"created_at": "2022-09-04T14:36:14.431412Z",
"updated_at": "2022-09-04T14:36:14.431451Z",
"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Nd-Rb",
"density": 4.131505784545889,
"density_atomic": 0.027569354003743673,
"volume": 362.7215929195181,
"volume_molar": 21.843604892527573,
"formula_full": "Rb2 Nd1 Ag1 Br6",
"formula_reduced": "Rb2NdAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-87141",
"created_at": "2022-09-04T14:36:19.629719Z",
"updated_at": "2022-09-04T14:36:19.629746Z",
"structure_string": "Rb2 Cd26\n1.0\n8.603444 0.000000 4.967201\n2.867814 8.111404 4.967201\n-0.000000 -0.000000 9.934401\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.802125 0.197874 0.557916 Cd\n0.557915 0.442084 0.802126 Cd\n0.442084 0.557915 0.197874 Cd\n0.302126 0.057915 0.697874 Cd\n0.057915 0.697874 0.302126 Cd\n0.697874 0.302126 0.057916 Cd\n0.302126 0.697874 0.942085 Cd\n0.302125 0.942084 0.057916 Cd\n0.942084 0.697874 0.057916 Cd\n0.197874 0.557915 0.802126 Cd\n0.197874 0.442084 0.557916 Cd\n0.442084 0.802126 0.557916 Cd\n0.557915 0.802126 0.197874 Cd\n0.802125 0.557915 0.442085 Cd\n0.557915 0.197874 0.442085 Cd\n0.802125 0.442084 0.197874 Cd\n0.442084 0.197874 0.802126 Cd\n0.942084 0.057915 0.302126 Cd\n0.057915 0.942084 0.697874 Cd\n0.057915 0.302126 0.942085 Cd\n0.697873 0.942084 0.302126 Cd\n0.942084 0.302126 0.697874 Cd\n0.697874 0.057915 0.942085 Cd\n0.197874 0.802126 0.442085 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 28,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Rb",
"density": 7.409795697528645,
"density_atomic": 0.04038759348738243,
"volume": 693.2822082788254,
"volume_molar": 14.910868016638299,
"formula_full": "Rb2 Cd26",
"formula_reduced": "RbCd13",
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"spacegroup": 226
},
{
"id": "jvasp-5266",
"created_at": "2022-09-04T14:36:08.769338Z",
"updated_at": "2022-09-04T14:36:08.769358Z",
"structure_string": "Sr4 In2 I10\n1.0\n8.062741 -0.000000 -4.207665\n-2.195834 7.757970 -4.207665\n0.022533 0.029796 9.871935\nSr In I\n4 2 10\ndirect\n0.845332 0.345332 0.000001 Sr\n0.654669 0.845332 0.000001 Sr\n0.154669 0.654668 0.000001 Sr\n0.345332 0.154668 0.000000 Sr\n0.750000 0.750000 0.500001 In\n0.250000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.509986 0.009987 0.718374 I\n0.708387 0.509987 0.718374 I\n0.009986 0.208387 0.718374 I\n0.291613 0.490014 0.281627 I\n0.990014 0.791613 0.281628 I\n0.791613 0.291613 0.281628 I\n0.490014 0.990014 0.281628 I\n0.208387 0.708387 0.718374 I\n",
"nsites": 16,
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"elements": [
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"I"
],
"chemical_system": "I-In-Sr",
"density": 4.956454257023396,
"density_atomic": 0.02582660573879694,
"volume": 619.5161749793806,
"volume_molar": 23.31758505514137,
"formula_full": "Sr4 In2 I10",
"formula_reduced": "Sr2InI5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-22788",
"created_at": "2022-09-04T14:37:53.509481Z",
"updated_at": "2022-09-04T14:37:53.509498Z",
"structure_string": "Rb8 Cd12 Se16\n1.0\n6.854575 -0.000000 0.000000\n-0.000000 11.087291 0.000000\n0.000000 0.000000 14.645786\nRb Cd Se\n8 12 16\ndirect\n0.021978 0.250000 0.538747 Rb\n0.521978 0.750000 0.961254 Rb\n0.978021 0.750000 0.461254 Rb\n0.478022 0.250000 0.038747 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.746673 0.250000 0.795706 Cd\n0.246674 0.750000 0.704294 Cd\n0.753326 0.250000 0.295706 Cd\n0.310681 0.093595 0.745469 Cd\n0.810681 0.906405 0.754531 Cd\n0.253326 0.750000 0.204294 Cd\n0.189318 0.406405 0.245469 Cd\n0.689318 0.906405 0.254531 Cd\n0.189318 0.093595 0.245469 Cd\n0.310681 0.406405 0.745469 Cd\n0.810681 0.593595 0.754531 Cd\n0.689318 0.593595 0.254531 Cd\n0.609449 0.750000 0.647411 Se\n0.890550 0.750000 0.147411 Se\n0.541292 0.250000 0.639465 Se\n0.041293 0.750000 0.860536 Se\n0.458707 0.750000 0.360536 Se\n0.958707 0.250000 0.139465 Se\n0.591123 0.036098 0.865266 Se\n0.908876 0.463902 0.365266 Se\n0.408877 0.536098 0.134734 Se\n0.408877 0.963902 0.134734 Se\n0.908876 0.036098 0.365266 Se\n0.591123 0.463902 0.865266 Se\n0.091123 0.536098 0.634734 Se\n0.109449 0.250000 0.852589 Se\n0.091123 0.963902 0.634734 Se\n0.390551 0.250000 0.352589 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
"chemical_system": "Cd-Rb-Se",
"density": 4.917248654154916,
"density_atomic": 0.03234326340978405,
"volume": 1113.0602235119466,
"volume_molar": 18.619459278738898,
"formula_full": "Rb8 Cd12 Se16",
"formula_reduced": "Rb2Cd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}