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=12153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12151",
"results": [
{
"id": "mp-1179656",
"created_at": "2022-09-04T14:40:23.495741Z",
"structure_string": "Rb8\n1.0\n3.919739 11.978369 0.000000\n-3.919739 11.978369 0.000000\n0.000000 2.229886 7.689872\nRb\n8\ndirect\n0.172361 0.699431 0.559181 Rb\n0.300569 0.827639 0.940819 Rb\n0.536807 0.085571 0.686205 Rb\n0.827639 0.300569 0.440819 Rb\n0.463193 0.914429 0.313795 Rb\n0.914429 0.463193 0.813795 Rb\n0.699431 0.172361 0.059181 Rb\n0.085571 0.536807 0.186205 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.572308148984186,
"density_atomic": 0.011078629606179152,
"volume": 722.1109726006154,
"volume_molar": 54.35817401676761,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.84427258,
"energy_per_atom": -0.9805340725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.84427258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.155000Z",
"spacegroup": 15
},
{
"id": "mp-974620",
"created_at": "2022-09-04T14:41:56.812325Z",
"structure_string": "Rb8\n1.0\n9.004761 0.000000 0.000000\n0.000000 9.004761 0.000000\n0.000000 0.000000 9.004761\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250000 0.000000 Rb\n0.500000 0.750000 0.000000 Rb\n0.000000 0.500000 0.250000 Rb\n0.250000 0.000000 0.500000 Rb\n0.750000 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750000 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5549808254789264,
"density_atomic": 0.010956539671515114,
"volume": 730.1575351201852,
"volume_molar": 54.96389316835499,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.55309927,
"energy_per_atom": -0.94413740875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.55309927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8378747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.669000Z",
"spacegroup": 223
},
{
"id": "mp-1186899",
"created_at": "2022-09-04T14:43:48.575215Z",
"structure_string": "Rb29\n1.0\n-8.669277 8.669277 8.669277\n8.669277 -8.669277 8.669277\n8.669277 8.669277 -8.669277\nRb\n29\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.364538 Rb\n0.000000 0.318162 0.597454 Rb\n0.000000 0.364538 0.000000 Rb\n0.000000 0.597454 0.318162 Rb\n0.000000 0.626625 0.809752 Rb\n0.000000 0.809752 0.626625 Rb\n0.816872 0.190248 0.190248 Rb\n0.809752 0.000000 0.626625 Rb\n0.809752 0.626625 0.000000 Rb\n0.720709 0.402546 0.402546 Rb\n0.681838 0.681838 0.279291 Rb\n0.681838 0.279291 0.681838 Rb\n0.635462 0.635462 0.635462 Rb\n0.626625 0.809752 0.000000 Rb\n0.626625 0.000000 0.809752 Rb\n0.597454 0.000000 0.318162 Rb\n0.597454 0.318162 0.000000 Rb\n0.402546 0.402546 0.720709 Rb\n0.402546 0.720709 0.402546 Rb\n0.373375 0.373375 0.183128 Rb\n0.373375 0.183128 0.373375 Rb\n0.364538 0.000000 0.000000 Rb\n0.318162 0.597454 0.000000 Rb\n0.318162 0.000000 0.597454 Rb\n0.279291 0.681838 0.681838 Rb\n0.190248 0.190248 0.816872 Rb\n0.190248 0.816872 0.190248 Rb\n0.183128 0.373375 0.373375 Rb\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5792140164459703,
"density_atomic": 0.011127288991279906,
"volume": 2606.2053410068124,
"volume_molar": 54.120466941402846,
"formula_full": "Rb29",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -27.301436,
"energy_per_atom": -0.9414288275862068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.301436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.0326358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.476000Z",
"spacegroup": 217
},
{
"id": "mp-1063817",
"created_at": "2022-09-04T14:41:23.289345Z",
"structure_string": "Rb4\n1.0\n0.000000 7.671627 13.050748\n2.435135 0.000000 13.050748\n2.435135 7.671627 0.000000\nRb\n4\ndirect\n0.916997 0.916997 0.583003 Rb\n0.333003 0.333003 0.666997 Rb\n0.583003 0.583003 0.916997 Rb\n0.666997 0.666997 0.333003 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.1642217072195442,
"density_atomic": 0.008203214542958274,
"volume": 487.6137249675668,
"volume_molar": 73.41196220656535,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.19748225,
"energy_per_atom": -0.7993705625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.19748225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 70
},
{
"id": "mp-867126",
"created_at": "2022-09-04T14:41:50.511525Z",
"structure_string": "Rb3\n1.0\n12.341583 -2.537458 0.000000\n12.341583 2.537458 0.000000\n11.819876 0.000000 4.363932\nRb\n3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.777799 0.777799 0.777799 Rb\n0.222201 0.222201 0.222201 Rb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5577407321531462,
"density_atomic": 0.010975986230900474,
"volume": 273.32395803797203,
"volume_molar": 54.86651161283337,
"formula_full": "Rb3",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -2.86837605,
"energy_per_atom": -0.9561253500000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.86837605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0361494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.529000Z",
"spacegroup": 166
},
{
"id": "mp-604321",
"created_at": "2022-09-04T14:48:24.360907Z",
"structure_string": "Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5438505712149497,
"density_atomic": 0.01087811486369811,
"volume": 367.7107706730139,
"volume_molar": 55.36015049902424,
"formula_full": "Rb4",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -3.91319338,
"energy_per_atom": -0.978298345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.91319338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:57.601000Z",
"spacegroup": 194
},
{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 0.27117934564032864,
"density_atomic": 0.0019107549173081662,
"volume": 4186.826854419531,
"volume_molar": 315.17075818828056,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -4.22407837,
"energy_per_atom": -0.52800979625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.22407837,
"band_gap": 0.1102999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.8808979,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.898000Z",
"spacegroup": 139
},
{
"id": "mp-1055423",
"created_at": "2022-09-04T14:42:49.865549Z",
"structure_string": "Pu4\n1.0\n-0.018661 0.198357 3.522173\n4.535293 -0.273562 -0.014382\n1.969982 4.375312 0.246116\nPu\n4\ndirect\n0.857106 0.340361 0.247748 Pu\n0.581779 0.841192 0.251814 Pu\n0.418545 0.158791 0.748301 Pu\n0.142573 0.659657 0.752137 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.647044571012607,
"density_atomic": 0.05589495502121435,
"volume": 71.56280917449243,
"volume_molar": 10.774032750745322,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.71455862,
"energy_per_atom": -14.178639655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71455862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.550000Z",
"spacegroup": 2
},
{
"id": "mp-613989",
"created_at": "2022-09-04T14:39:45.717111Z",
"structure_string": "Pu16\n1.0\n4.554934 0.000000 0.000000\n0.000000 5.881363 -1.252694\n0.000000 0.018066 10.952282\nPu\n16\ndirect\n0.750000 0.350332 0.536696 Pu\n0.750000 0.665489 0.842916 Pu\n0.250000 0.018433 0.618295 Pu\n0.250000 0.649668 0.463304 Pu\n0.250000 0.301776 0.927292 Pu\n0.250000 0.865565 0.890918 Pu\n0.750000 0.556764 0.363431 Pu\n0.250000 0.748974 0.170070 Pu\n0.750000 0.698224 0.072708 Pu\n0.750000 0.892052 0.673413 Pu\n0.750000 0.981567 0.381705 Pu\n0.250000 0.443236 0.636569 Pu\n0.750000 0.251026 0.829930 Pu\n0.250000 0.334511 0.157084 Pu\n0.750000 0.134435 0.109082 Pu\n0.250000 0.107948 0.326587 Pu\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.08725057973736,
"density_atomic": 0.0545133328026788,
"volume": 293.50617871622325,
"volume_molar": 11.047097013492579,
"formula_full": "Pu16",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -228.15433862,
"energy_per_atom": -14.25964616375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.15433862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9691554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.703000Z",
"spacegroup": 11
},
{
"id": "mp-542606",
"created_at": "2022-09-04T14:39:41.157603Z",
"structure_string": "Pu17\n1.0\n5.168143 5.826663 0.000000\n-5.168143 5.826663 0.000000\n0.000000 4.625207 6.288572\nPu\n17\ndirect\n0.000000 0.000000 0.000000 Pu\n0.731364 0.268636 0.500000 Pu\n0.268636 0.731364 0.500000 Pu\n0.868015 0.868015 0.758336 Pu\n0.131985 0.131985 0.241664 Pu\n0.682516 0.682516 0.242862 Pu\n0.317484 0.317484 0.757138 Pu\n0.593645 0.593645 0.729164 Pu\n0.406355 0.406355 0.270836 Pu\n0.145150 0.575429 0.025474 Pu\n0.424571 0.854850 0.974526 Pu\n0.854850 0.424571 0.974526 Pu\n0.575429 0.145150 0.025474 Pu\n0.990939 0.690284 0.416690 Pu\n0.309716 0.009061 0.583310 Pu\n0.009061 0.309716 0.583310 Pu\n0.690284 0.990939 0.416690 Pu\n",
"nsites": 17,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 18.186594755543936,
"density_atomic": 0.04488616131180817,
"volume": 378.73588436104075,
"volume_molar": 13.416475332266293,
"formula_full": "Pu17",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -229.10815608,
"energy_per_atom": -13.476950357647057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.10815608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.4777296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.685000Z",
"spacegroup": 12
},
{
"id": "mp-114",
"created_at": "2022-09-04T14:44:17.216199Z",
"structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 14.76070055473347,
"density_atomic": 0.036430744462104044,
"volume": 27.449342986669382,
"volume_molar": 16.530380723524182,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.99062127,
"energy_per_atom": -13.99062127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99062127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7357689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.375000Z",
"spacegroup": 225
},
{
"id": "mp-107",
"created_at": "2022-09-04T14:39:07.630165Z",
"structure_string": "Pu1\n1.0\n-1.603259 1.603259 1.603259\n1.603259 -1.603259 1.603259\n1.603259 1.603259 -1.603259\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 24.57920732542739,
"density_atomic": 0.06066370751397509,
"volume": 16.48432054321161,
"volume_molar": 9.927089864417997,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.72209501,
"energy_per_atom": -13.72209501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.72209501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.072000Z",
"spacegroup": 229
}
]
}