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=-density&page=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10",
"results": [
{
"id": "mp-1219694",
"created_at": "2022-09-04T14:39:28.330499Z",
"structure_string": "Pu1 Np1\n1.0\n-1.920439 -1.535713 1.535713\n-1.920439 1.535713 -1.535713\n0.000000 -3.547963 -3.547963\nPu Np\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Np\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Np"
],
"chemical_system": "Np-Pu",
"density": 19.082906515667162,
"density_atomic": 0.04778376265571005,
"volume": 41.855222126610926,
"volume_molar": 12.602901959375878,
"formula_full": "Pu1 Np1",
"formula_reduced": "PuNp",
"formula_anonymous": "AB",
"energy": -25.55633672,
"energy_per_atom": -12.77816836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.55633672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0446485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.583000Z",
"spacegroup": 65
},
{
"id": "mp-30852",
"created_at": "2022-09-04T14:46:15.115717Z",
"structure_string": "Ti1 Pt8\n1.0\n-4.214430 4.214430 1.970165\n4.214430 -4.214430 1.970165\n4.214430 4.214430 -1.970165\nTi Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.338116 0.661884 0.000000 Pt\n0.661884 0.338116 0.000000 Pt\n0.338116 0.338116 0.676232 Pt\n0.671028 0.000000 0.671028 Pt\n0.000000 0.671028 0.671028 Pt\n0.000000 0.328972 0.328972 Pt\n0.328972 0.000000 0.328972 Pt\n0.661884 0.661884 0.323768 Pt\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 19.082725895430062,
"density_atomic": 0.06429870542140498,
"volume": 139.97171390956044,
"volume_molar": 9.365881817575808,
"formula_full": "Ti1 Pt8",
"formula_reduced": "TiPt8",
"formula_anonymous": "AB8",
"energy": -60.37475542,
"energy_per_atom": -6.708306157777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.37475542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.788000Z",
"spacegroup": 139
},
{
"id": "mp-1186212",
"created_at": "2022-09-04T14:48:05.107805Z",
"structure_string": "Np6 Au2\n1.0\n6.668029 0.000000 0.000000\n-3.334013 5.774680 0.000000\n0.000000 0.000000 4.106795\nNp Au\n6 2\ndirect\n0.150005 0.300010 0.250000 Np\n0.699991 0.849995 0.250000 Np\n0.150005 0.849995 0.250000 Np\n0.849997 0.699989 0.749999 Np\n0.300012 0.150006 0.749999 Np\n0.849994 0.150006 0.749999 Np\n0.333333 0.666667 0.749999 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Au"
],
"chemical_system": "Au-Np",
"density": 19.068675302342648,
"density_atomic": 0.05058963655175161,
"volume": 158.13515465398237,
"volume_molar": 11.903902005383136,
"formula_full": "Np6 Au2",
"formula_reduced": "Np3Au",
"formula_anonymous": "AB3",
"energy": -80.18148172,
"energy_per_atom": -10.022685215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.18148172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7772822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.570000Z",
"spacegroup": 194
},
{
"id": "mp-1186823",
"created_at": "2022-09-04T14:40:05.860789Z",
"structure_string": "Pu2 Pt6\n1.0\n2.936290 -5.085804 0.000000\n2.936290 5.085804 0.000000\n0.000000 0.000000 4.836290\nPu Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.161413 0.322826 0.250000 Pt\n0.677174 0.838587 0.250000 Pt\n0.161413 0.838587 0.250000 Pt\n0.838587 0.677174 0.750000 Pt\n0.322826 0.161413 0.750000 Pt\n0.838587 0.161413 0.750000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Pt"
],
"chemical_system": "Pt-Pu",
"density": 19.06622550361493,
"density_atomic": 0.055384608675939355,
"volume": 144.4444619408393,
"volume_molar": 10.873311022627462,
"formula_full": "Pu2 Pt6",
"formula_reduced": "PuPt3",
"formula_anonymous": "AB3",
"energy": -70.39134266,
"energy_per_atom": -8.7989178325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.39134266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6539239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.632000Z",
"spacegroup": 194
},
{
"id": "mp-1105856",
"created_at": "2022-09-04T14:39:38.952157Z",
"structure_string": "Np4 Pt12\n1.0\n2.899680 -5.022392 0.000000\n2.899680 5.022392 0.000000\n0.000000 0.000000 9.841795\nNp Pt\n4 12\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.333333 0.666667 0.250000 Np\n0.666667 0.333333 0.750000 Np\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.830287 0.660573 0.250000 Pt\n0.339427 0.169713 0.250000 Pt\n0.830287 0.169713 0.250000 Pt\n0.169713 0.339427 0.750000 Pt\n0.660573 0.830287 0.750000 Pt\n0.169713 0.830287 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Np",
"Pt"
],
"chemical_system": "Np-Pt",
"density": 19.052371330182083,
"density_atomic": 0.055815522249527044,
"volume": 286.65860956152886,
"volume_molar": 10.789365605283805,
"formula_full": "Np4 Pt12",
"formula_reduced": "NpPt3",
"formula_anonymous": "AB3",
"energy": -134.42039514,
"energy_per_atom": -8.40127469625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.42039514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.5589029,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.181000Z",
"spacegroup": 194
},
{
"id": "mp-567490",
"created_at": "2022-09-04T14:42:24.186614Z",
"structure_string": "Hf5 Re24\n1.0\n-4.892353 4.892353 4.892353\n4.892353 -4.892353 4.892353\n4.892353 4.892353 -4.892353\nHf Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Hf\n0.629511 0.000000 0.000000 Hf\n0.000000 0.629511 0.000000 Hf\n0.000000 0.000000 0.629511 Hf\n0.370489 0.370489 0.370489 Hf\n0.395487 0.677337 0.000000 Re\n0.718151 0.322663 0.322663 Re\n0.395487 0.000000 0.677337 Re\n0.677337 0.395487 0.000000 Re\n0.000000 0.395487 0.677337 Re\n0.322663 0.718151 0.322663 Re\n0.322663 0.322663 0.718151 Re\n0.000000 0.677337 0.395487 Re\n0.677337 0.000000 0.395487 Re\n0.604513 0.604513 0.281849 Re\n0.281849 0.604513 0.604513 Re\n0.604513 0.281849 0.604513 Re\n0.375870 0.194003 0.000000 Re\n0.181867 0.805997 0.805997 Re\n0.375870 0.000000 0.194003 Re\n0.194003 0.375870 0.000000 Re\n0.000000 0.375870 0.194003 Re\n0.805997 0.181867 0.805997 Re\n0.805997 0.805997 0.181867 Re\n0.000000 0.194003 0.375870 Re\n0.194003 0.000000 0.375870 Re\n0.624130 0.624130 0.818133 Re\n0.818133 0.624130 0.624130 Re\n0.624130 0.818133 0.624130 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Hf",
"Re"
],
"chemical_system": "Hf-Re",
"density": 19.007080682059826,
"density_atomic": 0.06191339949551253,
"volume": 468.39618299592667,
"volume_molar": 9.726716363614445,
"formula_full": "Hf5 Re24",
"formula_reduced": "Hf5Re24",
"formula_anonymous": "A5B24",
"energy": -356.02834639,
"energy_per_atom": -12.276839530689656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -356.02834639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.040000Z",
"spacegroup": 217
},
{
"id": "mp-1103797",
"created_at": "2022-09-04T14:43:43.858307Z",
"structure_string": "Pu4 Re8\n1.0\n-2.779590 -4.871018 0.000000\n-2.779590 4.871018 0.000000\n0.000000 0.000000 -7.957041\nPu Re\n4 8\ndirect\n0.666660 0.333340 0.603352 Pu\n0.333340 0.666660 0.396648 Pu\n0.333340 0.666660 0.103352 Pu\n0.666660 0.333340 0.896648 Pu\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.173466 0.346831 0.750000 Re\n0.172479 0.827521 0.750000 Re\n0.653169 0.826534 0.750000 Re\n0.826534 0.653169 0.250000 Re\n0.827521 0.172479 0.250000 Re\n0.346831 0.173466 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pu",
"Re"
],
"chemical_system": "Pu-Re",
"density": 19.00200885510092,
"density_atomic": 0.05569281623441212,
"volume": 215.46764576407435,
"volume_molar": 10.813137433475614,
"formula_full": "Pu4 Re8",
"formula_reduced": "PuRe2",
"formula_anonymous": "AB2",
"energy": -152.754737,
"energy_per_atom": -12.729561416666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.754737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0432502,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.887000Z",
"spacegroup": 194
},
{
"id": "mp-973866",
"created_at": "2022-09-04T14:42:05.872835Z",
"structure_string": "Lu2 Os6\n1.0\n2.863162 -4.959142 0.000000\n2.863162 4.959142 0.000000\n0.000000 0.000000 4.594799\nLu Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.162713 0.325427 0.250000 Os\n0.674573 0.837287 0.250000 Os\n0.162713 0.837287 0.250000 Os\n0.837287 0.674573 0.750000 Os\n0.325427 0.162713 0.750000 Os\n0.837287 0.162713 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Os"
],
"chemical_system": "Lu-Os",
"density": 18.97882028278055,
"density_atomic": 0.06131136822487805,
"volume": 130.4815115307421,
"volume_molar": 9.82222536269615,
"formula_full": "Lu2 Os6",
"formula_reduced": "LuOs3",
"formula_anonymous": "AB3",
"energy": -74.32891054,
"energy_per_atom": -9.2911138175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.32891054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.268000Z",
"spacegroup": 194
},
{
"id": "mp-1206445",
"created_at": "2022-09-04T14:46:25.056933Z",
"structure_string": "Re2 W6\n1.0\n5.054812 0.000000 0.000000\n0.000000 5.054812 0.000000\n0.000000 0.000000 5.054812\nRe W\n2 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.250000 0.000000 0.500000 W\n0.750000 0.000000 0.500000 W\n0.500000 0.250000 0.000000 W\n0.500000 0.750000 0.000000 W\n0.000000 0.500000 0.250000 W\n0.000000 0.500000 0.750000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"W"
],
"chemical_system": "Re-W",
"density": 18.969668786751097,
"density_atomic": 0.0619405366179477,
"volume": 129.1561300048851,
"volume_molar": 9.722454936328472,
"formula_full": "Re2 W6",
"formula_reduced": "ReW3",
"formula_anonymous": "AB3",
"energy": -102.48461362,
"energy_per_atom": -12.8105767025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.48461362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.625000Z",
"spacegroup": 223
},
{
"id": "mp-11482",
"created_at": "2022-09-04T14:47:55.299811Z",
"structure_string": "Mo2 Ir6\n1.0\n2.773342 -4.803570 0.000000\n2.773342 4.803570 0.000000\n0.000000 0.000000 4.423083\nMo Ir\n2 6\ndirect\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n0.833622 0.667245 0.250000 Ir\n0.166378 0.833622 0.750000 Ir\n0.667245 0.833622 0.750000 Ir\n0.332755 0.166378 0.250000 Ir\n0.833622 0.166378 0.250000 Ir\n0.166378 0.332755 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo",
"density": 18.954289409768677,
"density_atomic": 0.06788398826083042,
"volume": 117.84811418653877,
"volume_molar": 8.871224149148615,
"formula_full": "Mo2 Ir6",
"formula_reduced": "MoIr3",
"formula_anonymous": "AB3",
"energy": -77.45417496,
"energy_per_atom": -9.68177187,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.45417496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.620000Z",
"spacegroup": 194
},
{
"id": "mp-977310",
"created_at": "2022-09-04T14:41:33.455737Z",
"structure_string": "Os1 Au3\n1.0\n4.090436 0.000000 0.000000\n0.000000 4.090436 0.000000\n0.000000 0.000000 4.090436\nOs Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Os\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Os",
"Au"
],
"chemical_system": "Au-Os",
"density": 18.952366503878817,
"density_atomic": 0.05844551440720435,
"volume": 68.43981168736083,
"volume_molar": 10.3038544892295,
"formula_full": "Os1 Au3",
"formula_reduced": "OsAu3",
"formula_anonymous": "AB3",
"energy": -18.29296488,
"energy_per_atom": -4.57324122,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.29296488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0214272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.441000Z",
"spacegroup": 221
},
{
"id": "mp-974435",
"created_at": "2022-09-04T14:44:26.024456Z",
"structure_string": "Re3 N1\n1.0\n1.418685 -2.457235 0.000000\n1.418685 2.457235 0.000000\n0.000000 0.000000 7.196886\nRe N\n3 1\ndirect\n0.333333 0.666667 0.198467 Re\n0.333333 0.666667 0.801533 Re\n0.666667 0.333333 0.500000 Re\n0.666667 0.333333 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 18.95021586172163,
"density_atomic": 0.07971732236572565,
"volume": 50.17730000574874,
"volume_molar": 7.554369089784194,
"formula_full": "Re3 N1",
"formula_reduced": "Re3N",
"formula_anonymous": "AB3",
"energy": -46.15737764,
"energy_per_atom": -11.53934441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.79637764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.335000Z",
"spacegroup": 187
}
]
}