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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4084",
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"results": [
{
"id": "jvasp-17491",
"created_at": "2022-09-04T14:37:32.640733Z",
"updated_at": "2022-09-04T14:37:32.640750Z",
"structure_string": "In1 Sb1\n1.0\n3.092642 0.000000 0.000000\n0.000000 3.090624 0.000000\n0.000000 0.000000 6.248070\nIn Sb\n1 1\ndirect\n0.000000 -0.122053 0.000000 In\n0.000000 0.872052 0.500000 Sb\n",
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"formula_full": "In1 Sb1",
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{
"id": "jvasp-41281",
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"updated_at": "2022-09-04T14:37:59.314422Z",
"structure_string": "Na1 Ca2 Tl1\n1.0\n0.000000 3.908817 3.908817\n3.908817 0.000000 3.908817\n3.908817 3.908817 -0.000000\nNa Ca Tl\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Na\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.750002 0.750002 0.750002 Tl\n",
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{
"id": "jvasp-28771",
"created_at": "2022-09-04T14:37:03.100510Z",
"updated_at": "2022-09-04T14:37:03.100531Z",
"structure_string": "Te2 Mo4 Se6\n1.0\n3.385287 0.000000 0.000000\n-1.692643 2.931755 -0.000099\n0.000000 -0.001233 36.107360\nTe Mo Se\n2 4 6\ndirect\n0.666695 0.333386 0.416664 Te\n0.666702 0.333402 0.520992 Te\n0.333234 0.666466 0.096464 Mo\n0.333364 0.666726 0.468828 Mo\n0.666600 0.333199 0.277264 Mo\n0.666810 0.333618 0.660361 Mo\n0.333286 0.666570 0.323099 Se\n0.333500 0.666999 0.706113 Se\n0.666545 0.333086 0.050706 Se\n0.666593 0.333181 0.142281 Se\n0.333248 0.666494 0.231459 Se\n0.333444 0.666886 0.614519 Se\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mo-Se-Te",
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"density_atomic": 0.03348592826638534,
"volume": 358.35948475246937,
"volume_molar": 17.98409383217037,
"formula_full": "Te2 Mo4 Se6",
"formula_reduced": "TeMo2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.0675199444444448,
"spacegroup": 156
},
{
"id": "jvasp-41725",
"created_at": "2022-09-04T14:37:31.431867Z",
"updated_at": "2022-09-04T14:37:31.431885Z",
"structure_string": "Ac1 Mg1 Tl2\n1.0\n0.000000 3.908913 3.908913\n3.908913 0.000000 3.908913\n3.908913 3.908913 -0.000000\nAc Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Tl"
],
"chemical_system": "Ac-Mg-Tl",
"density": 9.175761899386472,
"density_atomic": 0.03348590047349177,
"volume": 119.45326072884002,
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"formula_full": "Ac1 Mg1 Tl2",
"formula_reduced": "AcMgTl2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-91778",
"created_at": "2022-09-04T14:36:05.875352Z",
"updated_at": "2022-09-04T14:36:05.875375Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.027969 0.000000\n-5.885917 0.000000 0.688833\n-0.421169 0.000000 -10.027769\nPb S\n4 4\ndirect\n0.250000 0.761821 0.612396 Pb\n0.750000 0.238179 0.387604 Pb\n0.250000 0.234088 0.899660 Pb\n0.750000 0.765913 0.100341 Pb\n0.250000 0.741287 0.907177 S\n0.750000 0.258713 0.092824 S\n0.750000 0.068982 0.658284 S\n0.250000 0.931018 0.341717 S\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Pb-S",
"density": 6.652030337754265,
"density_atomic": 0.03348543501773366,
"volume": 238.9098423169134,
"volume_molar": 17.984358742273216,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
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"spacegroup": 11
},
{
"id": "jvasp-110697",
"created_at": "2022-09-04T14:38:36.898264Z",
"updated_at": "2022-09-04T14:38:36.898289Z",
"structure_string": "Na3 Sm1 Cl6\n1.0\n6.497689 -0.000000 3.751443\n2.165896 6.126080 3.751443\n-0.000000 -0.000000 7.502886\nNa Sm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.749013 0.250987 0.250987 Cl\n0.250987 0.250987 0.749013 Cl\n0.250987 0.749013 0.749013 Cl\n0.250987 0.749013 0.250986 Cl\n0.749013 0.250987 0.749013 Cl\n0.749014 0.749013 0.250986 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.402207221990274,
"density_atomic": 0.03348343981782346,
"volume": 298.6550979949477,
"volume_molar": 17.98543038817169,
"formula_full": "Na3 Sm1 Cl6",
"formula_reduced": "Na3SmCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36952",
"created_at": "2022-09-04T14:38:30.519149Z",
"updated_at": "2022-09-04T14:38:30.519175Z",
"structure_string": "K2 Ag2 Br6\n1.0\n6.490062 -0.059417 3.537791\n2.073834 6.150093 3.537791\n-0.083544 -0.059417 7.391204\nK Ag Br\n2 2 6\ndirect\n0.255551 0.255550 0.255551 K\n0.755551 0.755550 0.755551 K\n0.005749 0.005749 0.005749 Ag\n0.505749 0.505748 0.505748 Ag\n0.255712 0.819125 0.692363 Br\n0.819125 0.692363 0.255712 Br\n0.692364 0.255711 0.819125 Br\n0.192364 0.319125 0.755711 Br\n0.755712 0.192363 0.319126 Br\n0.319125 0.755711 0.192364 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ag",
"Br"
],
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"density": 4.29939922610736,
"density_atomic": 0.03347947627292592,
"volume": 298.6904549664885,
"volume_molar": 17.987559634766352,
"formula_full": "K2 Ag2 Br6",
"formula_reduced": "KAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-116351",
"created_at": "2022-09-04T14:38:42.629699Z",
"updated_at": "2022-09-04T14:38:42.629726Z",
"structure_string": "Na1 Ge1\n1.0\n5.125562 -0.000000 0.000000\n-2.562781 4.438866 -0.000000\n-0.000000 -0.000000 2.625807\nNa Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.000000 Ge\n",
"nsites": 2,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Na",
"density": 2.658066718414382,
"density_atomic": 0.033477550042865595,
"volume": 59.74152820141091,
"volume_molar": 17.988594602320305,
"formula_full": "Na1 Ge1",
"formula_reduced": "NaGe",
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"energy_above_hull": 0.40703865,
"spacegroup": 187
},
{
"id": "jvasp-103252",
"created_at": "2022-09-04T14:36:41.338922Z",
"updated_at": "2022-09-04T14:36:41.338946Z",
"structure_string": "Eu3 Mg1\n1.0\n3.626766 0.000000 0.000000\n0.000000 5.626567 0.000000\n0.000000 0.000000 5.855300\nEu Mg\n3 1\ndirect\n0.000000 0.000000 0.983061 Eu\n0.500001 0.000000 0.473031 Eu\n0.500001 0.500000 0.859248 Eu\n0.000000 0.500000 0.351325 Mg\n",
"nsites": 4,
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"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 6.673541388163607,
"density_atomic": 0.03347709845842061,
"volume": 119.48466815211299,
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"formula_full": "Eu3 Mg1",
"formula_reduced": "Eu3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-173",
"created_at": "2022-09-04T14:36:45.754861Z",
"updated_at": "2022-09-04T14:36:45.754886Z",
"structure_string": "B2 Br6\n1.0\n3.201310 -5.544831 0.000000\n3.201309 5.544831 0.000000\n0.000000 0.000000 6.731259\nB Br\n2 6\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.044689 0.361042 0.250000 Br\n0.683647 0.044689 0.750000 Br\n0.361042 0.316353 0.750000 Br\n0.638958 0.683647 0.250000 Br\n0.316353 0.955311 0.250000 Br\n0.955311 0.638958 0.750000 Br\n",
"nsites": 8,
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"elements": [
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"Br"
],
"chemical_system": "B-Br",
"density": 3.48164448384603,
"density_atomic": 0.03347709099003935,
"volume": 238.96938961573127,
"volume_molar": 17.988841269965203,
"formula_full": "B2 Br6",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
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"spacegroup": 176
},
{
"id": "jvasp-35484",
"created_at": "2022-09-04T14:37:50.404796Z",
"updated_at": "2022-09-04T14:37:50.404828Z",
"structure_string": "Rb2 Cr1 Br2 Cl2\n1.0\n0.000000 -3.539714 -3.539628\n0.000000 -3.539714 3.539628\n-8.344537 3.539714 -0.000000\nRb Cr Br Cl\n2 1 2 2\ndirect\n0.636877 0.636877 0.273755 Rb\n0.363123 0.363123 0.726245 Rb\n0.000000 0.000000 0.000000 Cr\n0.842088 0.842088 0.684179 Br\n0.157911 0.157911 0.315821 Br\n0.500000 -0.000000 0.000000 Cl\n-0.000000 0.500000 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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],
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"volume": 209.1019273201343,
"volume_molar": 17.989160564416263,
"formula_full": "Rb2 Cr1 Br2 Cl2",
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"formula_anonymous": "AB2C2D2",
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"spacegroup": 139
},
{
"id": "jvasp-100034",
"created_at": "2022-09-04T14:38:40.127039Z",
"updated_at": "2022-09-04T14:38:40.127067Z",
"structure_string": "Ba1 Mg1 In3\n1.0\n4.580466 0.014654 -5.567113\n-0.577509 4.543937 -5.567113\n-0.012868 -0.014654 7.209247\nBa Mg In\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.386012 0.386012 0.000000 In\n0.613989 0.613988 0.000001 In\n0.250000 0.750001 0.500001 In\n",
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}
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}