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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1276",
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"results": [
{
"id": "jvasp-100522",
"created_at": "2022-09-04T14:36:31.254187Z",
"updated_at": "2022-09-04T14:36:31.254219Z",
"structure_string": "Er3 Mg3 In3\n1.0\n7.447301 0.000000 -0.000000\n-3.723651 6.449551 0.000000\n-0.000000 0.000000 4.621467\nEr Mg In\n3 3 3\ndirect\n0.565627 -0.000000 0.000000 Er\n0.000000 0.565627 0.000000 Er\n0.434373 0.434373 0.000000 Er\n0.242377 -0.000000 0.500000 Mg\n0.000000 0.242377 0.500000 Mg\n0.757623 0.757623 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"In"
],
"chemical_system": "Er-In-Mg",
"density": 6.875833541670471,
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"volume": 221.9771365404982,
"volume_molar": 14.853084019429106,
"formula_full": "Er3 Mg3 In3",
"formula_reduced": "ErMgIn",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-104845",
"created_at": "2022-09-04T14:36:42.839264Z",
"updated_at": "2022-09-04T14:36:42.839285Z",
"structure_string": "Er1 Mg1 Pd2\n1.0\n4.091478 -0.000000 2.362216\n1.363826 3.857482 2.362216\n-0.000000 -0.000000 4.724432\nEr Mg Pd\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750000 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Pd"
],
"chemical_system": "Er-Mg-Pd",
"density": 9.005976493684194,
"density_atomic": 0.05364463076028923,
"volume": 74.5647783069657,
"volume_molar": 11.22598976756855,
"formula_full": "Er1 Mg1 Pd2",
"formula_reduced": "ErMgPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100970",
"created_at": "2022-09-04T14:36:43.422076Z",
"updated_at": "2022-09-04T14:36:43.422097Z",
"structure_string": "Er1 Mg1 Rh2\n1.0\n3.981626 -0.000000 2.298793\n1.327209 3.753913 2.298793\n-0.000000 -0.000000 4.597586\nEr Mg Rh\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750001 0.749999 0.749999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Rh"
],
"chemical_system": "Er-Mg-Rh",
"density": 9.602296450532526,
"density_atomic": 0.05820837331421333,
"volume": 68.71863569194227,
"volume_molar": 10.345832424300909,
"formula_full": "Er1 Mg1 Rh2",
"formula_reduced": "ErMgRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3710212625000002,
"spacegroup": 225
},
{
"id": "jvasp-40898",
"created_at": "2022-09-04T14:37:36.285012Z",
"updated_at": "2022-09-04T14:37:36.285036Z",
"structure_string": "Er2 Mg2 Sn2\n1.0\n4.352634 -0.000000 0.000000\n-0.000000 4.352634 0.000000\n-2.176318 -2.176318 7.874905\nEr Mg Sn\n2 2 2\ndirect\n0.666897 0.666897 0.333798 Er\n0.333101 0.333101 0.666202 Er\n0.499999 -0.000000 -0.000000 Mg\n-0.000000 0.499999 -0.000000 Mg\n0.137501 0.137501 0.275003 Sn\n0.862496 0.862496 0.724997 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Sn"
],
"chemical_system": "Er-Mg-Sn",
"density": 6.9067677750669905,
"density_atomic": 0.040216255070478935,
"volume": 149.1934042462434,
"volume_molar": 14.974394680574324,
"formula_full": "Er2 Mg2 Sn2",
"formula_reduced": "ErMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0871302499999999,
"spacegroup": 139
},
{
"id": "jvasp-110903",
"created_at": "2022-09-04T14:38:38.210338Z",
"updated_at": "2022-09-04T14:38:38.210367Z",
"structure_string": "Er3 Mg3 Tl3\n1.0\n7.469553 -0.000000 0.000000\n-3.734776 6.468822 0.000000\n-0.000000 -0.000000 4.601357\nEr Mg Tl\n3 3 3\ndirect\n0.569779 0.000000 -0.000000 Er\n-0.000000 0.569779 -0.000000 Er\n0.430221 0.430221 -0.000000 Er\n0.243620 0.000000 0.500000 Mg\n-0.000000 0.243620 0.500000 Mg\n0.756379 0.756380 0.500000 Mg\n0.333333 0.666666 0.500000 Tl\n0.666666 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Tl"
],
"chemical_system": "Er-Mg-Tl",
"density": 8.87160085727129,
"density_atomic": 0.04047965157041399,
"volume": 222.33392953851344,
"volume_molar": 14.87695799338722,
"formula_full": "Er3 Mg3 Tl3",
"formula_reduced": "ErMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155815083333332,
"spacegroup": 189
},
{
"id": "jvasp-107920",
"created_at": "2022-09-04T14:36:21.571008Z",
"updated_at": "2022-09-04T14:36:21.571038Z",
"structure_string": "Er1 Mg1 Tl2\n1.0\n4.522604 -0.000000 2.611126\n1.507535 4.263952 2.611126\n-0.000000 -0.000000 5.222253\nEr Mg Tl\n1 1 2\ndirect\n0.499999 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.749999 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Er-Mg-Tl",
"density": 9.898760132418657,
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"volume": 100.70679568349564,
"volume_molar": 15.16176247736428,
"formula_full": "Er1 Mg1 Tl2",
"formula_reduced": "ErMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38824",
"created_at": "2022-09-04T14:38:02.309303Z",
"updated_at": "2022-09-04T14:38:02.309321Z",
"structure_string": "Er1 Mg1 Zn2\n1.0\n0.000000 3.379283 3.379283\n3.379283 -0.000000 3.379283\n3.379283 3.379283 0.000000\nEr Mg Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.749998 0.749998 0.749998 Mg\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Zn"
],
"chemical_system": "Er-Mg-Zn",
"density": 6.936113584131692,
"density_atomic": 0.0518270279921634,
"volume": 77.17980665618772,
"volume_molar": 11.619691487828685,
"formula_full": "Er1 Mg1 Zn2",
"formula_reduced": "ErMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23808",
"created_at": "2022-09-04T14:37:39.071200Z",
"updated_at": "2022-09-04T14:37:39.071227Z",
"structure_string": "Er1 Mn12\n1.0\n4.242114 0.000000 1.664899\n2.121057 5.827723 0.832449\n-0.008040 0.000000 6.257328\nEr Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.725061 0.774939 0.774940 Mn\n0.499999 -0.000000 0.500000 Mn\n0.000001 0.500000 -0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.364444 0.635556 0.635556 Mn\n0.000000 0.364444 0.635556 Mn\n0.000001 0.635556 0.364444 Mn\n0.635556 0.364444 0.364444 Mn\n0.274939 0.225061 0.225061 Mn\n0.500000 0.774939 0.225061 Mn\n0.500000 0.225061 0.774939 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Er",
"Mn"
],
"chemical_system": "Er-Mn",
"density": 8.867700419442825,
"density_atomic": 0.08399515659488464,
"volume": 154.77082878361713,
"volume_molar": 7.169628588283091,
"formula_full": "Er1 Mn12",
"formula_reduced": "ErMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.933388222811671,
"spacegroup": 139
},
{
"id": "jvasp-98185",
"created_at": "2022-09-04T14:38:11.167609Z",
"updated_at": "2022-09-04T14:38:11.167633Z",
"structure_string": "Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Er",
"Mn"
],
"chemical_system": "Er-Mn",
"density": 10.152069306550963,
"density_atomic": 0.06618128767864061,
"volume": 181.32013475272538,
"volume_molar": 9.099461450859001,
"formula_full": "Er4 Mn8",
"formula_reduced": "ErMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.9197914942528733,
"spacegroup": 194
},
{
"id": "jvasp-54868",
"created_at": "2022-09-04T14:37:55.490607Z",
"updated_at": "2022-09-04T14:37:55.490628Z",
"structure_string": "Er2 Mn4\n1.0\n4.376444 -0.000000 2.526741\n1.458815 4.126151 2.526741\n-0.000000 0.000000 5.053482\nEr Mn\n2 4\ndirect\n0.125000 0.125000 0.125000 Er\n0.874998 0.875000 0.875000 Er\n0.499999 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000001 0.500000 0.500000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Mn"
],
"chemical_system": "Er-Mn",
"density": 10.085870678212105,
"density_atomic": 0.06574973916042882,
"volume": 91.25511487368868,
"volume_molar": 9.159185780655381,
"formula_full": "Er2 Mn4",
"formula_reduced": "ErMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.926834827586207,
"spacegroup": 227
},
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.81256958029276,
"density_atomic": 0.07415471803881017,
"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.941244616551724,
"spacegroup": 63
},
{
"id": "jvasp-105516",
"created_at": "2022-09-04T14:38:45.613074Z",
"updated_at": "2022-09-04T14:38:45.613100Z",
"structure_string": "Er2 Mn2 Al2\n1.0\n4.627220 0.015635 -2.447817\n-1.637119 4.222951 -2.624831\n0.099222 -0.015635 5.233844\nEr Mn Al\n2 2 2\ndirect\n0.137315 0.887315 0.250000 Er\n0.862684 0.112684 0.749999 Er\n0.500000 -0.000001 -0.000001 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 0.500000 0.500000 Al\n0.500000 0.499999 -0.000001 Al\n",
"nsites": 6,
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"elements": [
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"Mn",
"Al"
],
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"density": 8.02075237131493,
"density_atomic": 0.058153593017519434,
"volume": 103.17505228253792,
"volume_molar": 10.355578129430041,
"formula_full": "Er2 Mn2 Al2",
"formula_reduced": "ErMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0837100137931035,
"spacegroup": 74
}
]
}