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=-energy_per_atom&page=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12175",
"results": [
{
"id": "mp-1183703",
"created_at": "2022-09-04T14:48:19.850510Z",
"structure_string": "Cr1 Re3\n1.0\n3.863548 0.000000 0.000000\n0.000000 3.863548 0.000000\n0.000000 0.000000 3.863548\nCr Re\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Re"
],
"chemical_system": "Cr-Re",
"density": 17.581629471017795,
"density_atomic": 0.06935871759976787,
"volume": 57.67119315962363,
"volume_molar": 8.682601075110066,
"formula_full": "Cr1 Re3",
"formula_reduced": "CrRe3",
"formula_anonymous": "AB3",
"energy": -46.45422933,
"energy_per_atom": -11.6135573325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.45422933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.278000Z",
"spacegroup": 221
},
{
"id": "mp-867166",
"created_at": "2022-09-04T14:47:08.992212Z",
"structure_string": "Pu2 O4\n1.0\n5.079813 0.000000 0.000000\n0.000000 5.079813 0.000000\n0.000000 0.000000 3.545839\nPu O\n2 4\ndirect\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.500000 Pu\n0.810694 0.810694 0.000000 O\n0.189306 0.189306 0.000000 O\n0.689306 0.310694 0.500000 O\n0.310694 0.689306 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 10.017787710265948,
"density_atomic": 0.06557477175538576,
"volume": 91.49860288316155,
"volume_molar": 9.183624431762347,
"formula_full": "Pu2 O4",
"formula_reduced": "PuO2",
"formula_anonymous": "AB2",
"energy": -69.68857703,
"energy_per_atom": -11.614762838333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.94057703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.972000Z",
"spacegroup": 136
},
{
"id": "mp-11558",
"created_at": "2022-09-04T14:46:30.457068Z",
"structure_string": "Sc5 Re24\n1.0\n-4.881270 4.881270 4.881270\n4.881270 -4.881270 4.881270\n4.881270 4.881270 -4.881270\nSc Re\n5 24\ndirect\n0.366470 0.366470 0.366470 Sc\n0.000000 0.633530 0.000000 Sc\n0.633530 0.000000 0.000000 Sc\n0.000000 0.000000 0.633530 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.397902 0.677549 Re\n0.279648 0.602098 0.602098 Re\n0.720352 0.322451 0.322451 Re\n0.322451 0.720352 0.322451 Re\n0.677549 0.000000 0.397902 Re\n0.000000 0.677549 0.397902 Re\n0.602098 0.602098 0.279648 Re\n0.807730 0.807730 0.185415 Re\n0.377685 0.192270 0.000000 Re\n0.192270 0.377685 0.000000 Re\n0.622315 0.814585 0.622315 Re\n0.377685 0.000000 0.192270 Re\n0.000000 0.377685 0.192270 Re\n0.814585 0.622315 0.622315 Re\n0.185415 0.807730 0.807730 Re\n0.807730 0.185415 0.807730 Re\n0.192270 0.000000 0.377685 Re\n0.000000 0.192270 0.377685 Re\n0.622315 0.622315 0.814585 Re\n0.397902 0.000000 0.677549 Re\n0.602098 0.279648 0.602098 Re\n0.677549 0.397902 0.000000 Re\n0.397902 0.677549 0.000000 Re\n0.322451 0.322451 0.720352 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Sc",
"Re"
],
"chemical_system": "Re-Sc",
"density": 16.753684888078904,
"density_atomic": 0.06233608378605074,
"volume": 465.22011391561745,
"volume_molar": 9.660762104769253,
"formula_full": "Sc5 Re24",
"formula_reduced": "Sc5Re24",
"formula_anonymous": "A5B24",
"energy": -336.84514103,
"energy_per_atom": -11.615349690689655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.84514103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035669,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.641000Z",
"spacegroup": 217
},
{
"id": "mp-867141",
"created_at": "2022-09-04T14:44:08.545668Z",
"structure_string": "Re2 Os6\n1.0\n2.768554 -4.795276 0.000000\n2.768554 4.795276 0.000000\n0.000000 0.000000 4.369407\nRe Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.167301 0.334602 0.250000 Os\n0.665398 0.832699 0.250000 Os\n0.167301 0.832699 0.250000 Os\n0.832699 0.665398 0.750000 Os\n0.334602 0.167301 0.750000 Os\n0.832699 0.167301 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Os"
],
"chemical_system": "Os-Re",
"density": 21.666899742274357,
"density_atomic": 0.06895581307674646,
"volume": 116.01632470196759,
"volume_molar": 8.733332972663925,
"formula_full": "Re2 Os6",
"formula_reduced": "ReOs3",
"formula_anonymous": "AB3",
"energy": -92.93589693,
"energy_per_atom": -11.61698711625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.93589693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.166000Z",
"spacegroup": 194
},
{
"id": "mp-1187084",
"created_at": "2022-09-04T14:47:02.943674Z",
"structure_string": "Sm1 Pu3\n1.0\n-2.347716 2.347716 4.785399\n2.347716 -2.347716 4.785399\n2.347716 2.347716 -4.785399\nSm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pu"
],
"chemical_system": "Pu-Sm",
"density": 13.88755027528564,
"density_atomic": 0.03791322480540758,
"volume": 105.50408256038084,
"volume_molar": 15.884010898331864,
"formula_full": "Sm1 Pu3",
"formula_reduced": "SmPu3",
"formula_anonymous": "AB3",
"energy": -46.51849867,
"energy_per_atom": -11.6296246675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.51849867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.3686772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.092000Z",
"spacegroup": 139
},
{
"id": "mp-974430",
"created_at": "2022-09-04T14:45:52.888789Z",
"structure_string": "Re3 Ir1\n1.0\n-1.951918 1.951918 3.919934\n1.951918 -1.951918 3.919934\n1.951918 1.951918 -3.919934\nRe Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Re\n0.250000 0.750000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Ir"
],
"chemical_system": "Ir-Re",
"density": 20.870529013634997,
"density_atomic": 0.0669573268796774,
"volume": 59.73954138264834,
"volume_molar": 8.993998178603833,
"formula_full": "Re3 Ir1",
"formula_reduced": "Re3Ir",
"formula_anonymous": "AB3",
"energy": -46.51905284,
"energy_per_atom": -11.62976321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.51905284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.267000Z",
"spacegroup": 139
},
{
"id": "mp-675",
"created_at": "2022-09-04T14:45:09.141069Z",
"structure_string": "Zr2 W4\n1.0\n0.000000 3.834056 3.834056\n3.834056 0.000000 3.834056\n3.834056 3.834056 0.000000\nZr W\n2 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Zr\n0.125000 0.625000 0.125000 W\n0.125000 0.125000 0.625000 W\n0.625000 0.125000 0.125000 W\n0.125000 0.125000 0.125000 W\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"W"
],
"chemical_system": "W-Zr",
"density": 13.52058818410364,
"density_atomic": 0.05322870484729024,
"volume": 112.72113453095689,
"volume_molar": 11.31370897953865,
"formula_full": "Zr2 W4",
"formula_reduced": "ZrW2",
"formula_anonymous": "AB2",
"energy": -69.7994734,
"energy_per_atom": -11.633245566666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.7994734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001602,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.202000Z",
"spacegroup": 227
},
{
"id": "mp-21421",
"created_at": "2022-09-04T14:46:32.527469Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.933880 -3.349579 0.000000\n1.933880 3.349579 0.000000\n0.000000 0.000000 6.650003\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.724461 Pu\n0.333333 0.666667 0.275539 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.628922 O\n0.666667 0.333333 0.371078 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"S",
"O"
],
"chemical_system": "O-Pu-S",
"density": 10.640616326796989,
"density_atomic": 0.05803612672599621,
"volume": 86.15323389181901,
"volume_molar": 10.376538028514736,
"formula_full": "Pu2 S1 O2",
"formula_reduced": "Pu2SO2",
"formula_anonymous": "AB2C2",
"energy": -58.18886663,
"energy_per_atom": -11.637773326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.31186663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0057444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.062000Z",
"spacegroup": 164
},
{
"id": "mp-1187839",
"created_at": "2022-09-04T14:43:11.386352Z",
"structure_string": "Tm2 Pu6\n1.0\n3.427441 -5.936502 0.000000\n3.427441 5.936502 0.000000\n0.000000 0.000000 5.544525\nTm Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.164087 0.328173 0.250000 Pu\n0.671827 0.835913 0.250000 Pu\n0.164087 0.835913 0.250000 Pu\n0.835913 0.671827 0.750000 Pu\n0.328173 0.164087 0.750000 Pu\n0.835913 0.164087 0.750000 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Pu"
],
"chemical_system": "Pu-Tm",
"density": 13.261028961484204,
"density_atomic": 0.03545643274267156,
"volume": 225.62901513699256,
"volume_molar": 16.98462110868925,
"formula_full": "Tm2 Pu6",
"formula_reduced": "TmPu3",
"formula_anonymous": "AB3",
"energy": -93.12368156,
"energy_per_atom": -11.640460195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.12368156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.1724668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.853000Z",
"spacegroup": 194
},
{
"id": "mp-1186428",
"created_at": "2022-09-04T14:40:41.361326Z",
"structure_string": "Nd2 Pu6\n1.0\n5.392992 0.000000 0.000000\n0.000000 6.825673 0.000000\n0.000000 3.409981 6.013780\nNd Pu\n2 6\ndirect\n0.500000 0.663320 0.687751 Nd\n0.000000 0.342139 0.312516 Nd\n0.000000 0.310654 0.823132 Pu\n0.000000 0.831503 0.331789 Pu\n0.000000 0.857384 0.848733 Pu\n0.500000 0.693847 0.160592 Pu\n0.500000 0.171913 0.665197 Pu\n0.500000 0.129236 0.170291 Pu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Pu"
],
"chemical_system": "Nd-Pu",
"density": 13.145598632117155,
"density_atomic": 0.03613825649280932,
"volume": 221.37205212409222,
"volume_molar": 16.664170727766756,
"formula_full": "Nd2 Pu6",
"formula_reduced": "NdPu3",
"formula_anonymous": "AB3",
"energy": -93.13916222,
"energy_per_atom": -11.6423952775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.13916222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.862219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.707000Z",
"spacegroup": 6
},
{
"id": "mp-979010",
"created_at": "2022-09-04T14:44:55.531243Z",
"structure_string": "Tm1 Pu3\n1.0\n-2.405969 2.405969 4.777842\n2.405969 -2.405969 4.777842\n2.405969 2.405969 -4.777842\nTm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Pu"
],
"chemical_system": "Pu-Tm",
"density": 13.522915858475711,
"density_atomic": 0.03615664802583968,
"volume": 110.6297242250267,
"volume_molar": 16.65569428807732,
"formula_full": "Tm1 Pu3",
"formula_reduced": "TmPu3",
"formula_anonymous": "AB3",
"energy": -46.57817835,
"energy_per_atom": -11.6445445875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.57817835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.8243889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.617000Z",
"spacegroup": 139
},
{
"id": "mp-1186902",
"created_at": "2022-09-04T14:41:59.166452Z",
"structure_string": "Re3 Ir1\n1.0\n3.906077 0.000000 0.000000\n0.000000 3.906077 0.000000\n0.000000 0.000000 3.906077\nRe Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Ir"
],
"chemical_system": "Ir-Re",
"density": 20.920542439976263,
"density_atomic": 0.06711778114193961,
"volume": 59.59672581459247,
"volume_molar": 8.972496792265039,
"formula_full": "Re3 Ir1",
"formula_reduced": "Re3Ir",
"formula_anonymous": "AB3",
"energy": -46.59535412,
"energy_per_atom": -11.64883853,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.59535412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.865000Z",
"spacegroup": 221
}
]
}