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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3878",
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{
"id": "jvasp-94368",
"created_at": "2022-09-04T14:36:21.244611Z",
"updated_at": "2022-09-04T14:36:21.244634Z",
"structure_string": "Sr3 Mg3\n1.0\n4.020283 0.000000 0.000000\n-2.010142 3.481668 -0.000000\n-0.000000 0.000000 16.824616\nSr Mg\n3 3\ndirect\n0.333333 0.666667 0.166667 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.666667 0.333333 0.833333 Sr\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333333 0.666667 0.666667 Mg\n",
"nsites": 6,
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"elements": [
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"density": 2.367599900504568,
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"volume": 235.49904059752222,
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{
"id": "jvasp-80518",
"created_at": "2022-09-04T14:37:14.163875Z",
"updated_at": "2022-09-04T14:37:14.163904Z",
"structure_string": "Sr2 Mg2\n1.0\n5.881884 0.000000 -0.000000\n0.000000 4.145814 0.000000\n0.000000 0.000000 5.883798\nSr Mg\n2 2\ndirect\n0.250000 0.500000 0.250055 Sr\n0.749999 0.500000 0.749945 Sr\n0.749999 0.000000 0.249902 Mg\n0.250000 0.000000 0.750099 Mg\n",
"nsites": 4,
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"volume": 143.47757353576037,
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"formula_full": "Sr2 Mg2",
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},
{
"id": "jvasp-78551",
"created_at": "2022-09-04T14:37:10.022085Z",
"updated_at": "2022-09-04T14:37:10.022104Z",
"structure_string": "Sr1 Mg1\n1.0\n4.040964 0.000000 -0.000000\n-2.020483 3.499578 -0.000000\n-0.000000 -0.000000 5.541023\nSr Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.371841089955775,
"density_atomic": 0.025523450362299027,
"volume": 78.35931159817727,
"volume_molar": 23.594540215046205,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.367344705882353,
"spacegroup": 187
},
{
"id": "jvasp-8009",
"created_at": "2022-09-04T14:37:05.795489Z",
"updated_at": "2022-09-04T14:37:05.795513Z",
"structure_string": "Sr1 Mg1\n1.0\n4.153085 0.000000 0.000000\n0.000000 4.153085 0.000000\n0.000000 -0.000000 4.153085\nSr Mg\n1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.594560136420417,
"density_atomic": 0.027920136443525846,
"volume": 71.63288775631189,
"volume_molar": 21.569166655689543,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2809247058823529,
"spacegroup": 221
},
{
"id": "jvasp-40281",
"created_at": "2022-09-04T14:37:47.373263Z",
"updated_at": "2022-09-04T14:37:47.373283Z",
"structure_string": "Sr1 Mg1 Tl2\n1.0\n-0.000000 3.849278 3.849278\n3.849278 -0.000000 3.849278\n3.849278 3.849278 0.000000\nSr Mg Tl\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250001 0.250001 0.250001 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Tl"
],
"chemical_system": "Mg-Sr-Tl",
"density": 7.579871455851567,
"density_atomic": 0.03506647917163934,
"volume": 114.06905097090767,
"volume_molar": 17.173497032660517,
"formula_full": "Sr1 Mg1 Tl2",
"formula_reduced": "SrMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105254",
"created_at": "2022-09-04T14:36:57.061915Z",
"updated_at": "2022-09-04T14:36:57.061942Z",
"structure_string": "Sr2 Mg1 Tl1\n1.0\n4.999195 -0.000000 2.886287\n1.666398 4.713286 2.886287\n-0.000000 -0.000000 5.772573\nSr Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750001 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Mg-Sr-Tl",
"density": 4.931284680596331,
"density_atomic": 0.029408081072255014,
"volume": 136.01703525544858,
"volume_molar": 20.47784330165485,
"formula_full": "Sr2 Mg1 Tl1",
"formula_reduced": "Sr2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94082",
"created_at": "2022-09-04T14:35:46.684223Z",
"updated_at": "2022-09-04T14:35:46.684242Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.980569 -1.870481 0.000000\n-5.110169 8.851071 0.000000\n0.000000 0.000000 3.767534\nSr Mg V\n1 6 1\ndirect\n0.250022 0.875010 0.250000 Sr\n0.749960 0.374994 0.250000 Mg\n0.749960 0.874965 0.250000 Mg\n0.249970 0.158870 0.749999 Mg\n0.249970 0.591101 0.749999 Mg\n0.817820 0.158912 0.749999 Mg\n0.682245 0.591123 0.749999 Mg\n0.250052 0.375024 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"V"
],
"chemical_system": "Mg-Sr-V",
"density": 2.4000104604932004,
"density_atomic": 0.0406571949542998,
"volume": 196.76714069901521,
"volume_molar": 14.81199272790243,
"formula_full": "Sr1 Mg6 V1",
"formula_reduced": "SrMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-94065",
"created_at": "2022-09-04T14:35:58.487374Z",
"updated_at": "2022-09-04T14:35:58.487403Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.510345 0.001589 0.000000\n-3.253797 5.638918 0.000000\n0.000000 0.000000 5.107095\nSr Mg V\n1 6 1\ndirect\n0.416652 0.083349 0.750001 Sr\n0.067089 0.908452 0.250000 Mg\n0.591549 0.432911 0.250000 Mg\n0.591541 0.908460 0.250000 Mg\n0.392644 0.571339 0.750001 Mg\n0.928662 0.107357 0.750001 Mg\n0.928542 0.571459 0.750001 Mg\n0.083323 0.416677 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"V"
],
"chemical_system": "Mg-Sr-V",
"density": 2.5184354850158286,
"density_atomic": 0.042663365089281126,
"volume": 187.5145100077899,
"volume_molar": 14.115484672616743,
"formula_full": "Sr1 Mg6 V1",
"formula_reduced": "SrMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0143112500000001,
"spacegroup": 187
},
{
"id": "jvasp-91898",
"created_at": "2022-09-04T14:35:42.604627Z",
"updated_at": "2022-09-04T14:35:42.604655Z",
"structure_string": "Sr1 Mg6 W1\n1.0\n6.303723 -1.689685 0.000000\n-4.615171 7.993711 0.000000\n0.000000 0.000000 4.332377\nSr Mg W\n1 6 1\ndirect\n0.249944 0.374972 0.250000 Sr\n0.750032 0.375039 0.250000 Mg\n0.750032 0.874992 0.250000 Mg\n0.250038 0.092728 0.750001 Mg\n0.250038 0.657311 0.750001 Mg\n0.685357 0.092680 0.750001 Mg\n0.814578 0.657290 0.750001 Mg\n0.249982 0.874990 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"W"
],
"chemical_system": "Mg-Sr-W",
"density": 3.7552016373253863,
"density_atomic": 0.04335469884247594,
"volume": 184.52440481865722,
"volume_molar": 13.8903992434147,
"formula_full": "Sr1 Mg6 W1",
"formula_reduced": "SrMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3576375762499999,
"spacegroup": 123
},
{
"id": "jvasp-11180",
"created_at": "2022-09-04T14:37:04.064381Z",
"updated_at": "2022-09-04T14:37:04.064405Z",
"structure_string": "Mg2 Sc4 S8\n1.0\n6.526797 -0.000000 3.768248\n2.175599 6.153524 3.768248\n0.000000 -0.000000 7.536497\nMg Sc S\n2 4 8\ndirect\n0.875001 0.874999 0.875001 Mg\n0.125000 0.125000 0.125000 Mg\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.257652 0.257652 0.727045 S\n0.742349 0.742348 0.742349 S\n0.742349 0.742348 0.272955 S\n0.257652 0.727045 0.257652 S\n0.257652 0.257652 0.257652 S\n0.272955 0.742348 0.742349 S\n0.742348 0.272955 0.742348 S\n0.727045 0.257652 0.257652 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.6604542400883453,
"density_atomic": 0.04625242430353389,
"volume": 302.68683665367,
"volume_molar": 13.020162403768058,
"formula_full": "Mg2 Sc4 S8",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6650870785714285,
"spacegroup": 227
},
{
"id": "jvasp-112987",
"created_at": "2022-09-04T14:38:46.262482Z",
"updated_at": "2022-09-04T14:38:46.262508Z",
"structure_string": "Mg8 Si4 S16\n1.0\n5.943260 -0.000000 0.000000\n0.000000 7.427712 0.000000\n-0.000000 -0.000000 12.710147\nMg Si S\n8 4 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.491886 0.750000 0.230501 Mg\n0.008114 0.750000 0.730501 Mg\n0.508114 0.250000 0.769499 Mg\n0.991886 0.250000 0.269499 Mg\n0.407250 0.250000 0.089617 Si\n0.092750 0.250000 0.589617 Si\n0.592750 0.750000 0.910383 Si\n0.907250 0.750000 0.410383 Si\n0.251930 0.022862 0.166753 S\n0.248070 0.477138 0.666753 S\n0.251930 0.477138 0.166753 S\n0.248070 0.022862 0.666753 S\n0.748070 0.977137 0.833248 S\n0.751930 0.522862 0.333248 S\n0.260145 0.250000 0.934062 S\n0.236487 0.750000 0.907589 S\n0.739855 0.750000 0.065939 S\n0.760145 0.750000 0.565939 S\n0.763513 0.250000 0.092411 S\n0.736487 0.250000 0.592412 S\n0.751930 0.977137 0.333248 S\n0.263513 0.750000 0.407589 S\n0.239855 0.250000 0.434062 S\n0.748070 0.522862 0.833248 S\n",
"nsites": 28,
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"elements": [
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"Si",
"S"
],
"chemical_system": "Mg-S-Si",
"density": 2.426265408818871,
"density_atomic": 0.049903116884654874,
"volume": 561.0871975135075,
"volume_molar": 12.067664578786658,
"formula_full": "Mg8 Si4 S16",
"formula_reduced": "Mg2SiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2857152428571426,
"spacegroup": 62
},
{
"id": "jvasp-119239",
"created_at": "2022-09-04T14:38:49.137264Z",
"updated_at": "2022-09-04T14:38:49.137288Z",
"structure_string": "Sm3 Mg2 Ti1 S8\n1.0\n6.838787 -0.000031 3.948211\n2.279701 6.306787 3.948293\n-0.000008 0.000045 7.896613\nSm Mg Ti S\n3 2 1 8\ndirect\n0.500002 0.500010 0.499989 Sm\n0.499996 0.499994 -0.000000 Sm\n0.000001 0.499995 0.500007 Sm\n0.875540 0.873386 0.875538 Mg\n0.124460 0.126614 0.124462 Mg\n0.500003 0.999999 0.500003 Ti\n0.732001 0.771133 0.732007 S\n0.268005 0.228863 0.735142 S\n0.252386 0.742832 0.252385 S\n0.735143 0.228866 0.267996 S\n0.747608 0.257169 0.747605 S\n0.264857 0.771137 0.731999 S\n0.267996 0.228858 0.268005 S\n0.732006 0.771140 0.264857 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.9202946392255216,
"density_atomic": 0.041105506816819,
"volume": 340.5869695850987,
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"formula_full": "Sm3 Mg2 Ti1 S8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
}
]
}