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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3872",
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{
"id": "jvasp-16693",
"created_at": "2022-09-04T14:38:32.576984Z",
"updated_at": "2022-09-04T14:38:32.576998Z",
"structure_string": "Sm3 Mg3 Tl3\n1.0\n3.816989 -6.611220 -0.000000\n3.816989 6.611220 0.000000\n-0.000000 0.000000 4.685360\nSm Mg Tl\n3 3 3\ndirect\n0.573543 0.573543 0.000000 Sm\n0.000000 0.426457 0.000000 Sm\n0.426457 0.000000 0.000000 Sm\n0.756311 0.000000 0.500000 Mg\n0.243689 0.243689 0.500000 Mg\n0.000000 0.756311 0.500000 Mg\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.500000 Tl\n",
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"volume_molar": 15.822819426993934,
"formula_full": "Sm3 Mg3 Tl3",
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{
"id": "jvasp-37272",
"created_at": "2022-09-04T14:38:00.860197Z",
"updated_at": "2022-09-04T14:38:00.860224Z",
"structure_string": "Sm2 Mg1 Tl1\n1.0\n0.000000 3.821542 3.821542\n3.821542 -0.000000 3.821542\n3.821542 3.821542 -0.000000\nSm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Tl\n",
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"volume": 111.6209993904839,
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"formula_full": "Sm2 Mg1 Tl1",
"formula_reduced": "Sm2MgTl",
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"spacegroup": 225
},
{
"id": "jvasp-37227",
"created_at": "2022-09-04T14:37:57.814839Z",
"updated_at": "2022-09-04T14:37:57.814859Z",
"structure_string": "Sm1 Tm1 Mg2\n1.0\n-0.000000 3.768914 3.768914\n3.768914 -0.000000 3.768914\n3.768914 3.768914 -0.000000\nSm Tm Mg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Sm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg"
],
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"density_atomic": 0.03735780170058488,
"volume": 107.07268141897589,
"volume_molar": 16.120168976392733,
"formula_full": "Sm1 Tm1 Mg2",
"formula_reduced": "SmTmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2757803062499999,
"spacegroup": 225
},
{
"id": "jvasp-40574",
"created_at": "2022-09-04T14:37:49.484322Z",
"updated_at": "2022-09-04T14:37:49.484349Z",
"structure_string": "Sm1 Y1 Mg2\n1.0\n-0.000000 3.798687 3.798687\n3.798687 0.000000 3.798687\n3.798687 3.798687 -0.000000\nSm Y Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750001 0.750001 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
"Sm",
"Y",
"Mg"
],
"chemical_system": "Mg-Sm-Y",
"density": 4.360374624364196,
"density_atomic": 0.036486269707344726,
"volume": 109.63028098196608,
"volume_molar": 16.50522459079377,
"formula_full": "Sm1 Y1 Mg2",
"formula_reduced": "SmYMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6581381062499999,
"spacegroup": 225
},
{
"id": "jvasp-40582",
"created_at": "2022-09-04T14:37:48.560564Z",
"updated_at": "2022-09-04T14:37:48.560574Z",
"structure_string": "Sm1 Mg1 Zn2\n1.0\n0.000000 3.446646 3.446646\n3.446646 0.000000 3.446646\n3.446646 3.446646 -0.000000\nSm Mg Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Mg-Sm-Zn",
"density": 6.19464051904652,
"density_atomic": 0.04884723166420313,
"volume": 81.88795687538078,
"volume_molar": 12.328520071308821,
"formula_full": "Sm1 Mg1 Zn2",
"formula_reduced": "SmMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56535",
"created_at": "2022-09-04T14:37:33.618321Z",
"updated_at": "2022-09-04T14:37:33.618350Z",
"structure_string": "Mg4 Sn2\n1.0\n5.103401 -0.000000 2.946451\n1.701134 4.811535 2.946451\n-0.000000 -0.000000 5.892901\nMg Sn\n4 2\ndirect\n0.500000 0.000000 0.500000 Mg\n-0.000001 0.500000 0.500000 Mg\n0.499999 0.500000 0.500000 Mg\n0.499999 0.500000 -0.000000 Mg\n0.874999 0.875001 0.875000 Sn\n0.125000 0.125000 0.125000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.8402054559883765,
"density_atomic": 0.04146472234868623,
"volume": 144.70131861838223,
"volume_molar": 14.523528481291775,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-38927",
"created_at": "2022-09-04T14:37:47.668249Z",
"updated_at": "2022-09-04T14:37:47.668268Z",
"structure_string": "Mg2 Sn6\n1.0\n3.314753 -5.741321 0.000000\n3.314753 5.741321 -0.000000\n0.000000 0.000000 5.540512\nMg Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.831188 0.662376 0.750000 Sn\n0.831188 0.168811 0.750000 Sn\n0.337623 0.168812 0.750000 Sn\n0.662376 0.831188 0.250000 Sn\n0.168811 0.831188 0.250000 Sn\n0.168812 0.337623 0.250000 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.03793561158413754,
"volume": 210.88364378301296,
"volume_molar": 15.874637335537535,
"formula_full": "Mg2 Sn6",
"formula_reduced": "MgSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3292922857142857,
"spacegroup": 194
},
{
"id": "jvasp-94354",
"created_at": "2022-09-04T14:35:49.376923Z",
"updated_at": "2022-09-04T14:35:49.376938Z",
"structure_string": "Mg5 Sn1\n1.0\n3.278038 -0.000000 0.000000\n-1.639020 2.838866 -0.000000\n-0.000000 -0.000000 15.267986\nMg Sn\n5 1\ndirect\n0.000000 0.000000 0.167316 Mg\n0.666668 0.333333 0.333097 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.666903 Mg\n0.000000 0.000000 0.832684 Mg\n0.666668 0.333333 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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"density": 2.8076615049469216,
"density_atomic": 0.04222898277536634,
"volume": 142.0825131383466,
"volume_molar": 14.260681560894543,
"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
"formula_anonymous": "AB5",
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"spacegroup": 187
},
{
"id": "jvasp-94357",
"created_at": "2022-09-04T14:35:56.757601Z",
"updated_at": "2022-09-04T14:35:56.757627Z",
"structure_string": "Mg2 Sn4\n1.0\n3.385193 -0.000000 0.000000\n-1.692596 2.931663 -0.000000\n-0.000000 -0.000000 15.773928\nMg Sn\n2 4\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.666666 0.333333 0.907229 Sn\n0.666666 0.333333 0.592772 Sn\n0.333332 0.666666 0.407228 Sn\n0.333332 0.666666 0.092772 Sn\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.03832780216441173,
"volume": 156.54432712479252,
"volume_molar": 15.712199552083112,
"formula_full": "Mg2 Sn4",
"formula_reduced": "MgSn2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-94355",
"created_at": "2022-09-04T14:35:51.900119Z",
"updated_at": "2022-09-04T14:35:51.900145Z",
"structure_string": "Mg4 Sn2\n1.0\n3.300639 -0.000000 0.000000\n-1.650319 2.858437 0.000000\n0.000000 -0.000000 15.687464\nMg Sn\n4 2\ndirect\n0.333333 0.666668 0.919253 Mg\n0.666667 0.333333 0.758681 Mg\n0.333333 0.666668 0.241319 Mg\n0.666667 0.333333 0.080747 Mg\n0.333333 0.666668 0.596460 Sn\n0.666667 0.333333 0.403540 Sn\n",
"nsites": 6,
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"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
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"spacegroup": 164
},
{
"id": "jvasp-94356",
"created_at": "2022-09-04T14:35:54.300162Z",
"updated_at": "2022-09-04T14:35:54.300185Z",
"structure_string": "Mg1 Sn5\n1.0\n5.800138 0.000000 -0.000000\n-2.900069 5.023067 -0.000000\n-0.000000 0.000000 5.534509\nMg Sn\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.674500 0.000000 0.000000 Sn\n0.325500 0.325500 0.000000 Sn\n0.000000 0.674501 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 6,
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"formula_full": "Mg1 Sn5",
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"formula_anonymous": "AB5",
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"spacegroup": 189
},
{
"id": "jvasp-110450",
"created_at": "2022-09-04T14:38:38.802311Z",
"updated_at": "2022-09-04T14:38:38.802336Z",
"structure_string": "Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n",
"nsites": 4,
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"volume": 97.19183266704239,
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"spacegroup": 12
}
]
}