HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=79",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=77",
"results": [
{
"id": "mp-985569",
"created_at": "2022-09-04T14:39:16.880608Z",
"structure_string": "Sr2 Y1 Cu3 O7\n1.0\n3.730950 0.000000 0.000000\n0.000000 3.896947 0.000000\n0.000000 0.000000 11.543733\nSr Y Cu O\n2 1 3 7\ndirect\n0.500000 0.000000 0.821284 Sr\n0.500000 0.000000 0.178716 Sr\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.652823 Cu\n0.000000 0.500000 0.347177 Cu\n0.500000 0.500000 0.622607 O\n0.500000 0.500000 0.377393 O\n0.000000 0.500000 0.837456 O\n0.000000 0.500000 0.162544 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.628533 O\n0.000000 0.000000 0.371467 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr-Y",
"density": 5.607549871810852,
"density_atomic": 0.07745565857201361,
"volume": 167.83796354805222,
"volume_molar": 7.774952625831689,
"formula_full": "Sr2 Y1 Cu3 O7",
"formula_reduced": "Sr2YCu3O7",
"formula_anonymous": "AB2C3D7",
"energy": -85.60405433,
"energy_per_atom": -6.584927256153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.79505433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.009414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.026000Z",
"spacegroup": 47
},
{
"id": "mp-985564",
"created_at": "2022-09-04T14:43:00.152269Z",
"structure_string": "In1 Tc3\n1.0\n-1.937955 1.937955 4.230447\n1.937955 -1.937955 4.230447\n1.937955 1.937955 -4.230447\nIn Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Tc\n0.250000 0.750000 0.500000 Tc\n0.500000 0.500000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Tc"
],
"chemical_system": "In-Tc",
"density": 10.68182552973597,
"density_atomic": 0.06293994583023427,
"volume": 63.552644465075666,
"volume_molar": 9.568074265973014,
"formula_full": "In1 Tc3",
"formula_reduced": "InTc3",
"formula_anonymous": "AB3",
"energy": -32.52373671,
"energy_per_atom": -8.1309341775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.52373671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.730000Z",
"spacegroup": 139
},
{
"id": "mp-985562",
"created_at": "2022-09-04T14:43:09.036014Z",
"structure_string": "Nd11 In9 Ni4\n1.0\n7.367036 -11.066813 0.000000\n7.367036 11.066813 0.000000\n0.000000 0.000000 3.744136\nNd In Ni\n11 9 4\ndirect\n0.078464 0.416200 0.000000 Nd\n0.921536 0.583800 0.000000 Nd\n0.416200 0.078464 0.000000 Nd\n0.583800 0.921536 0.000000 Nd\n0.625478 0.374522 0.000000 Nd\n0.374522 0.625478 0.000000 Nd\n0.837521 0.162479 0.000000 Nd\n0.162479 0.837521 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.312730 0.312730 0.000000 Nd\n0.687270 0.687270 0.000000 Nd\n0.837904 0.368167 0.500000 In\n0.162096 0.631833 0.500000 In\n0.368167 0.837904 0.500000 In\n0.631833 0.162096 0.500000 In\n0.080176 0.220172 0.500000 In\n0.919824 0.779828 0.500000 In\n0.220172 0.080176 0.500000 In\n0.779828 0.919824 0.500000 In\n0.500000 0.500000 0.500000 In\n0.246171 0.448664 0.500000 Ni\n0.753829 0.551336 0.500000 Ni\n0.448664 0.246171 0.500000 Ni\n0.551336 0.753829 0.500000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"In",
"Ni"
],
"chemical_system": "In-Nd-Ni",
"density": 7.764749432684325,
"density_atomic": 0.039311015869634654,
"volume": 610.5158940585538,
"volume_molar": 15.319219375991077,
"formula_full": "Nd11 In9 Ni4",
"formula_reduced": "Nd11In9Ni4",
"formula_anonymous": "A4B9C11",
"energy": -111.81507679,
"energy_per_atom": -4.658961532916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.81507679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.545000Z",
"spacegroup": 65
},
{
"id": "mp-985561",
"created_at": "2022-09-04T14:44:05.087805Z",
"structure_string": "Ac6 Sc2\n1.0\n3.862675 -6.690349 0.000000\n3.862675 6.690349 0.000000\n0.000000 0.000000 6.154291\nAc Sc\n6 2\ndirect\n0.656715 0.828357 0.250000 Ac\n0.171643 0.343285 0.250000 Ac\n0.343285 0.171643 0.750000 Ac\n0.828357 0.656715 0.750000 Ac\n0.171643 0.828357 0.250000 Ac\n0.828357 0.171643 0.750000 Ac\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Sc"
],
"chemical_system": "Ac-Sc",
"density": 7.579566615941284,
"density_atomic": 0.025150407247744422,
"volume": 318.0863005992664,
"volume_molar": 23.944505950455685,
"formula_full": "Ac6 Sc2",
"formula_reduced": "Ac3Sc",
"formula_anonymous": "AB3",
"energy": -36.43716683,
"energy_per_atom": -4.55464585375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.43716683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.456000Z",
"spacegroup": 194
},
{
"id": "mp-985558",
"created_at": "2022-09-04T14:45:54.309359Z",
"structure_string": "Ce8 U4 S20\n1.0\n7.432891 0.000000 0.000000\n0.000000 8.078900 0.000000\n0.000000 0.000000 11.785060\nCe U S\n8 4 20\ndirect\n0.968910 0.001272 0.323566 Ce\n0.468910 0.998728 0.176434 Ce\n0.531090 0.498728 0.823566 Ce\n0.031090 0.501272 0.676434 Ce\n0.031090 0.998728 0.676434 Ce\n0.531090 0.001272 0.823566 Ce\n0.468910 0.501272 0.176434 Ce\n0.968910 0.498728 0.323566 Ce\n0.432304 0.250000 0.492592 U\n0.932304 0.750000 0.007408 U\n0.067696 0.250000 0.992592 U\n0.567696 0.750000 0.507408 U\n0.047399 0.250000 0.499010 S\n0.547399 0.750000 0.000990 S\n0.452601 0.250000 0.999010 S\n0.952601 0.750000 0.500990 S\n0.663638 0.250000 0.310356 S\n0.163638 0.750000 0.189644 S\n0.836362 0.250000 0.810356 S\n0.336362 0.750000 0.689644 S\n0.667303 0.459500 0.592945 S\n0.167303 0.540500 0.907055 S\n0.832697 0.040500 0.092945 S\n0.332697 0.959500 0.407055 S\n0.332697 0.540500 0.407055 S\n0.832697 0.459500 0.092945 S\n0.167303 0.959500 0.907055 S\n0.667303 0.040500 0.592945 S\n0.311008 0.250000 0.714623 S\n0.811008 0.750000 0.785377 S\n0.188992 0.250000 0.214623 S\n0.688992 0.750000 0.285377 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ce",
"U",
"S"
],
"chemical_system": "Ce-S-U",
"density": 6.369012951703694,
"density_atomic": 0.04521767038832555,
"volume": 707.6879398073075,
"volume_molar": 13.318113711481292,
"formula_full": "Ce8 U4 S20",
"formula_reduced": "Ce2US5",
"formula_anonymous": "AB2C5",
"energy": -243.81128109,
"energy_per_atom": -7.6191025340625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.75128109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.529000Z",
"spacegroup": 62
},
{
"id": "mp-985557",
"created_at": "2022-09-04T14:47:04.442647Z",
"structure_string": "Ce3 Dy1\n1.0\n-2.427191 2.427192 4.907063\n2.427191 -2.427192 4.907063\n2.427192 2.427192 -4.907063\nCe Dy\n3 1\ndirect\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Dy"
],
"chemical_system": "Ce-Dy",
"density": 8.369790901670346,
"density_atomic": 0.03459156346700663,
"volume": 115.63513178047569,
"volume_molar": 17.409276009579347,
"formula_full": "Ce3 Dy1",
"formula_reduced": "Ce3Dy",
"formula_anonymous": "AB3",
"energy": -22.02589264,
"energy_per_atom": -5.50647316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.02589264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2424371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.196000Z",
"spacegroup": 139
},
{
"id": "mp-985556",
"created_at": "2022-09-04T14:41:02.415667Z",
"structure_string": "Cd12 Ni12\n1.0\n0.000000 5.725264 5.725264\n5.725264 0.000000 5.725264\n5.725264 5.725264 0.000000\nCd Ni\n12 12\ndirect\n0.800649 0.800649 0.199351 Cd\n0.199351 0.199351 0.800649 Cd\n0.800649 0.199351 0.800649 Cd\n0.199351 0.800649 0.199351 Cd\n0.199351 0.800649 0.800649 Cd\n0.800649 0.199351 0.199351 Cd\n0.449351 0.449351 0.050649 Cd\n0.050649 0.050649 0.449351 Cd\n0.449351 0.050649 0.449351 Cd\n0.050649 0.449351 0.050649 Cd\n0.050649 0.449351 0.449351 Cd\n0.449351 0.050649 0.050649 Cd\n0.125000 0.625000 0.625000 Ni\n0.625000 0.125000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.625000 0.625000 Ni\n0.734160 0.421947 0.421947 Ni\n0.421947 0.734160 0.421947 Ni\n0.421947 0.421947 0.734160 Ni\n0.421947 0.421947 0.421947 Ni\n0.515840 0.828053 0.828053 Ni\n0.828053 0.515840 0.828053 Ni\n0.828053 0.828053 0.515840 Ni\n0.828053 0.828053 0.828053 Ni\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni",
"density": 9.08395498283246,
"density_atomic": 0.06394324819586787,
"volume": 375.3328252340944,
"volume_molar": 9.417946272534152,
"formula_full": "Cd12 Ni12",
"formula_reduced": "CdNi",
"formula_anonymous": "AB",
"energy": -80.7360508,
"energy_per_atom": -3.3640021166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.7360508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4186651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.586000Z",
"spacegroup": 227
},
{
"id": "mp-985554",
"created_at": "2022-09-04T14:45:24.396200Z",
"structure_string": "Ac6 Nd2\n1.0\n3.942543 -6.828684 0.000000\n3.942543 6.828684 0.000000\n0.000000 0.000000 6.351256\nAc Nd\n6 2\ndirect\n0.831754 0.168246 0.750000 Ac\n0.336491 0.168246 0.750000 Ac\n0.831754 0.663509 0.750000 Ac\n0.168246 0.831754 0.250000 Ac\n0.663509 0.831754 0.250000 Ac\n0.168246 0.336491 0.250000 Ac\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Nd"
],
"chemical_system": "Ac-Nd",
"density": 8.014147796707542,
"density_atomic": 0.023393053732066526,
"volume": 341.9818588726546,
"volume_molar": 25.743286143719757,
"formula_full": "Ac6 Nd2",
"formula_reduced": "Ac3Nd",
"formula_anonymous": "AB3",
"energy": -33.90167802,
"energy_per_atom": -4.2377097525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.90167802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1839628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.373000Z",
"spacegroup": 194
},
{
"id": "mp-985551",
"created_at": "2022-09-04T14:43:10.731917Z",
"structure_string": "Ce1 Y3\n1.0\n-2.511085 2.511085 4.983969\n2.511085 -2.511085 4.983969\n2.511085 2.511085 -4.983969\nCe Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Y"
],
"chemical_system": "Ce-Y",
"density": 5.374124291901422,
"density_atomic": 0.03182012197248718,
"volume": 125.70662059242083,
"volume_molar": 18.92557409178682,
"formula_full": "Ce1 Y3",
"formula_reduced": "CeY3",
"formula_anonymous": "AB3",
"energy": -24.96421583,
"energy_per_atom": -6.2410539575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.96421583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7506277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.296000Z",
"spacegroup": 139
},
{
"id": "mp-985547",
"created_at": "2022-09-04T14:40:36.610897Z",
"structure_string": "Ac6 Sm2\n1.0\n3.931020 -6.808726 0.000000\n3.931020 6.808726 0.000000\n0.000000 0.000000 6.319018\nAc Sm\n6 2\ndirect\n0.168548 0.337096 0.250000 Ac\n0.662904 0.831452 0.250000 Ac\n0.168548 0.831452 0.250000 Ac\n0.831452 0.662904 0.750000 Ac\n0.337096 0.168548 0.750000 Ac\n0.831452 0.168548 0.750000 Ac\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Sm"
],
"chemical_system": "Ac-Sm",
"density": 8.162393338404065,
"density_atomic": 0.0236504434369431,
"volume": 338.2600424101827,
"volume_molar": 25.46311986097112,
"formula_full": "Ac6 Sm2",
"formula_reduced": "Ac3Sm",
"formula_anonymous": "AB3",
"energy": -33.73668209,
"energy_per_atom": -4.21708526125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.73668209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0266922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.577000Z",
"spacegroup": 194
},
{
"id": "mp-985545",
"created_at": "2022-09-04T14:42:20.170893Z",
"structure_string": "Co1 Te1 O3\n1.0\n3.779381 0.000000 0.000000\n0.000000 3.779381 0.000000\n0.000000 0.000000 3.779381\nCo Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 7.214198003818167,
"density_atomic": 0.0926206827544723,
"volume": 53.98362278600855,
"volume_molar": 6.501939503041736,
"formula_full": "Co1 Te1 O3",
"formula_reduced": "CoTeO3",
"formula_anonymous": "ABC3",
"energy": -28.790391210000003,
"energy_per_atom": -5.758078242000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.09139121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3665543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.467000Z",
"spacegroup": 221
},
{
"id": "mp-985540",
"created_at": "2022-09-04T14:39:31.539657Z",
"structure_string": "Ac6 La2\n1.0\n3.958102 -6.855633 0.000000\n3.958102 6.855633 0.000000\n0.000000 0.000000 6.392177\nAc La\n6 2\ndirect\n0.832043 0.167957 0.750000 Ac\n0.335915 0.167957 0.750000 Ac\n0.832043 0.664085 0.750000 Ac\n0.167957 0.832043 0.250000 Ac\n0.664085 0.832043 0.250000 Ac\n0.167957 0.335915 0.250000 Ac\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 7.849275034225276,
"density_atomic": 0.02306092146763882,
"volume": 346.9072131929475,
"volume_molar": 26.11405085634074,
"formula_full": "Ac6 La2",
"formula_reduced": "Ac3La",
"formula_anonymous": "AB3",
"energy": -34.29546389,
"energy_per_atom": -4.28693298625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.29546389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5002934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.108000Z",
"spacegroup": 194
}
]
}