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=elements&page=69",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=67",
"results": [
{
"id": "mp-862289",
"created_at": "2022-09-04T14:43:09.338290Z",
"structure_string": "Ac2 Hg6\n1.0\n3.571108 -6.185341 0.000000\n3.571108 6.185341 0.000000\n0.000000 0.000000 5.209057\nAc Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.157671 0.315342 0.250000 Hg\n0.684658 0.842329 0.250000 Hg\n0.157671 0.842329 0.250000 Hg\n0.842329 0.684658 0.750000 Hg\n0.315342 0.157671 0.750000 Hg\n0.842329 0.157671 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg",
"density": 11.960721487060978,
"density_atomic": 0.03476436087750737,
"volume": 230.12072703387508,
"volume_molar": 17.32274262489416,
"formula_full": "Ac2 Hg6",
"formula_reduced": "AcHg3",
"formula_anonymous": "AB3",
"energy": -13.39503475,
"energy_per_atom": -1.67437934375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.39503475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.810000Z",
"spacegroup": 194
},
{
"id": "mp-1183111",
"created_at": "2022-09-04T14:41:48.154677Z",
"structure_string": "Ac6 Ho2\n1.0\n3.913504 -6.778388 0.000000\n3.913504 6.778388 0.000000\n0.000000 0.000000 6.337817\nAc Ho\n6 2\ndirect\n0.169737 0.339474 0.250000 Ac\n0.660526 0.830263 0.250000 Ac\n0.169737 0.830263 0.250000 Ac\n0.830263 0.660526 0.750000 Ac\n0.339474 0.169737 0.750000 Ac\n0.830263 0.169737 0.750000 Ac\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Ho"
],
"chemical_system": "Ac-Ho",
"density": 8.355102594529876,
"density_atomic": 0.02379184323639712,
"volume": 336.2496936665033,
"volume_molar": 25.31178732208204,
"formula_full": "Ac6 Ho2",
"formula_reduced": "Ac3Ho",
"formula_anonymous": "AB3",
"energy": -33.32750094,
"energy_per_atom": -4.1659376175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.32750094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.661000Z",
"spacegroup": 194
},
{
"id": "mp-861867",
"created_at": "2022-09-04T14:42:09.075695Z",
"structure_string": "Ac2 I6\n1.0\n5.797535 -10.041626 0.000000\n5.797535 10.041626 0.000000\n0.000000 0.000000 4.390259\nAc I\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.211024 0.422049 0.250000 I\n0.577951 0.788976 0.250000 I\n0.211024 0.788976 0.250000 I\n0.788976 0.577951 0.750000 I\n0.422049 0.211024 0.750000 I\n0.788976 0.211024 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 3.9483019114656055,
"density_atomic": 0.015650291397742787,
"volume": 511.1725907642733,
"volume_molar": 38.47941617795412,
"formula_full": "Ac2 I6",
"formula_reduced": "AcI3",
"formula_anonymous": "AB3",
"energy": -31.79445133,
"energy_per_atom": -3.97430641625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.52045133,
"band_gap": 2.5886,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.744000Z",
"spacegroup": 194
},
{
"id": "mp-1183107",
"created_at": "2022-09-04T14:40:27.045160Z",
"structure_string": "Ac6 I2\n1.0\n3.961811 -6.862057 0.000000\n3.961811 6.862057 0.000000\n0.000000 0.000000 6.043381\nAc I\n6 2\ndirect\n0.168776 0.337551 0.250000 Ac\n0.662449 0.831224 0.250000 Ac\n0.168776 0.831224 0.250000 Ac\n0.831224 0.662449 0.750000 Ac\n0.337551 0.168776 0.750000 Ac\n0.831224 0.168776 0.750000 Ac\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 8.165467581750958,
"density_atomic": 0.024346242404384478,
"volume": 328.5928015963273,
"volume_molar": 24.73540129919795,
"formula_full": "Ac6 I2",
"formula_reduced": "Ac3I",
"formula_anonymous": "AB3",
"energy": -29.37834729,
"energy_per_atom": -3.67229341125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.62034729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.214000Z",
"spacegroup": 194
},
{
"id": "mp-1183096",
"created_at": "2022-09-04T14:39:41.256627Z",
"structure_string": "Ac3 I1\n1.0\n-2.724877 2.724877 5.676083\n2.724877 -2.724877 5.676083\n2.724877 2.724877 -5.676083\nAc I\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"I"
],
"chemical_system": "Ac-I",
"density": 7.958048350154888,
"density_atomic": 0.023727799083017913,
"volume": 168.57863580203767,
"volume_molar": 25.38010684821616,
"formula_full": "Ac3 I1",
"formula_reduced": "Ac3I",
"formula_anonymous": "AB3",
"energy": -14.82273533,
"energy_per_atom": -3.7056838325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.44373533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.006000Z",
"spacegroup": 139
},
{
"id": "mp-985305",
"created_at": "2022-09-04T14:45:01.034407Z",
"structure_string": "Ac6 In2\n1.0\n3.859168 -6.684275 0.000000\n3.859168 6.684275 0.000000\n0.000000 0.000000 6.028339\nAc In\n6 2\ndirect\n0.175039 0.350078 0.250000 Ac\n0.649922 0.824961 0.250000 Ac\n0.175039 0.824961 0.250000 Ac\n0.824961 0.649922 0.750000 Ac\n0.350078 0.175039 0.750000 Ac\n0.824961 0.175039 0.750000 Ac\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"In"
],
"chemical_system": "Ac-In",
"density": 8.498009156620222,
"density_atomic": 0.02572256839559862,
"volume": 311.0109331605034,
"volume_molar": 23.411895217393788,
"formula_full": "Ac6 In2",
"formula_reduced": "Ac3In",
"formula_anonymous": "AB3",
"energy": -31.51158554,
"energy_per_atom": -3.9389481925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.51158554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0531801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.001000Z",
"spacegroup": 194
},
{
"id": "mp-867297",
"created_at": "2022-09-04T14:41:06.523244Z",
"structure_string": "Ac2 In6\n1.0\n3.608194 -6.249576 0.000000\n3.608194 6.249576 0.000000\n0.000000 0.000000 5.251918\nAc In\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.149322 0.298644 0.250000 In\n0.701356 0.850678 0.250000 In\n0.149322 0.850678 0.250000 In\n0.850678 0.701356 0.750000 In\n0.298644 0.149322 0.750000 In\n0.850678 0.149322 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"In"
],
"chemical_system": "Ac-In",
"density": 8.012573086796971,
"density_atomic": 0.03377548708743256,
"volume": 236.85816815286435,
"volume_molar": 17.82991535965373,
"formula_full": "Ac2 In6",
"formula_reduced": "AcIn3",
"formula_anonymous": "AB3",
"energy": -28.01234011,
"energy_per_atom": -3.50154251375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.01234011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.453000Z",
"spacegroup": 194
},
{
"id": "mp-1183049",
"created_at": "2022-09-04T14:45:32.108148Z",
"structure_string": "Ac1 La1\n1.0\n1.963389 -3.400690 0.000000\n1.963389 3.400690 0.000000\n0.000000 0.000000 6.277809\nAc La\n1 1\ndirect\n0.000000 0.000000 0.500000 Ac\n0.666667 0.333333 0.000000 La\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 7.247805121455094,
"density_atomic": 0.023857146851363028,
"volume": 83.8323212939327,
"volume_molar": 25.2425019534804,
"formula_full": "Ac1 La1",
"formula_reduced": "AcLa",
"formula_anonymous": "AB",
"energy": -8.93681605,
"energy_per_atom": -4.468408025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.93681605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0393586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.539000Z",
"spacegroup": 187
},
{
"id": "mp-985059",
"created_at": "2022-09-04T14:47:36.298434Z",
"structure_string": "Ac1 La3\n1.0\n-2.688000 2.688000 5.395620\n2.688000 -2.688000 5.395620\n2.688000 2.688000 -5.395620\nAc La\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 6.854626602945393,
"density_atomic": 0.025650752805536282,
"volume": 155.94084237312003,
"volume_molar": 23.477442575097534,
"formula_full": "Ac1 La3",
"formula_reduced": "AcLa3",
"formula_anonymous": "AB3",
"energy": -18.82254721,
"energy_per_atom": -4.7056368025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82254721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.569000Z",
"spacegroup": 139
},
{
"id": "mp-1183051",
"created_at": "2022-09-04T14:46:55.357850Z",
"structure_string": "Ac2 La6\n1.0\n3.819021 -6.614738 0.000000\n3.819021 6.614738 0.000000\n0.000000 0.000000 6.257784\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.163489 0.326978 0.250000 La\n0.673022 0.836511 0.250000 La\n0.163489 0.836511 0.250000 La\n0.836511 0.673022 0.750000 La\n0.326978 0.163489 0.750000 La\n0.836511 0.163489 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 6.761739198395909,
"density_atomic": 0.025303158109156638,
"volume": 316.16606770934976,
"volume_molar": 23.799957041017436,
"formula_full": "Ac2 La6",
"formula_reduced": "AcLa3",
"formula_anonymous": "AB3",
"energy": -37.43266397,
"energy_per_atom": -4.67908299625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.43266397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1515649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.931000Z",
"spacegroup": 194
},
{
"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
},
{
"id": "mp-1183095",
"created_at": "2022-09-04T14:40:43.729833Z",
"structure_string": "Ac3 La1\n1.0\n-2.799516 2.799516 5.478356\n2.799516 -2.799516 5.478356\n2.799516 2.799516 -5.478356\nAc La\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 7.927508775733786,
"density_atomic": 0.023290769722564362,
"volume": 171.74185514894145,
"volume_molar": 25.856340652261405,
"formula_full": "Ac3 La1",
"formula_reduced": "Ac3La",
"formula_anonymous": "AB3",
"energy": -17.14726971,
"energy_per_atom": -4.2868174275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.14726971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0581397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.559000Z",
"spacegroup": 139
}
]
}