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=nsites&page=95",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=93",
"results": [
{
"id": "mp-1057216",
"created_at": "2022-09-04T14:45:35.067579Z",
"structure_string": "Li1 S1\n1.0\n-1.496248 1.496248 3.741988\n1.496248 -1.496248 3.741988\n1.496248 1.496248 -3.741988\nLi S\n1 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.9329070331284806,
"density_atomic": 0.05968434719538693,
"volume": 33.509623443692156,
"volume_molar": 10.089983459625504,
"formula_full": "Li1 S1",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy": -7.79810934,
"energy_per_atom": -3.89905467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.29510934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.997000Z",
"spacegroup": 119
},
{
"id": "mp-1187780",
"created_at": "2022-09-04T14:45:27.122267Z",
"structure_string": "U1 Ti1\n1.0\n1.473789 -2.552678 0.000000\n1.473789 2.552678 0.000000\n0.000000 0.000000 5.102968\nU Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Ti"
],
"chemical_system": "Ti-U",
"density": 12.36439449478891,
"density_atomic": 0.05208897467999435,
"volume": 38.395841198389604,
"volume_molar": 11.561258014765464,
"formula_full": "U1 Ti1",
"formula_reduced": "UTi",
"formula_anonymous": "AB",
"energy": -18.88842323,
"energy_per_atom": -9.444211615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.88842323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.893000Z",
"spacegroup": 187
},
{
"id": "mp-2495",
"created_at": "2022-09-04T14:45:23.796240Z",
"structure_string": "Pr1 S1\n1.0\n0.000000 2.903828 2.903828\n2.903828 0.000000 2.903828\n2.903828 2.903828 0.000000\nPr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 5.865214168735771,
"density_atomic": 0.04084015053695418,
"volume": 48.97141596454943,
"volume_molar": 14.745638007751394,
"formula_full": "Pr1 S1",
"formula_reduced": "PrS",
"formula_anonymous": "AB",
"energy": -13.45165296,
"energy_per_atom": -6.72582648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.94865296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.473000Z",
"spacegroup": 225
},
{
"id": "mp-519",
"created_at": "2022-09-04T14:45:29.783301Z",
"structure_string": "U1 Sb1\n1.0\n0.000000 3.099685 3.099685\n3.099685 0.000000 3.099685\n3.099685 3.099685 0.000000\nU Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 10.030306161610191,
"density_atomic": 0.03357741937737113,
"volume": 59.56383894552249,
"volume_molar": 17.93509111679532,
"formula_full": "U1 Sb1",
"formula_reduced": "USb",
"formula_anonymous": "AB",
"energy": -15.94340451,
"energy_per_atom": -7.971702255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.75140451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7021691,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.172000Z",
"spacegroup": 225
},
{
"id": "mp-1009894",
"created_at": "2022-09-04T14:45:33.091496Z",
"structure_string": "Zr1 C1\n1.0\n0.000000 2.553076 2.553076\n2.553076 0.000000 2.553076\n2.553076 2.553076 0.000000\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 5.150549585961192,
"density_atomic": 0.06009090859708401,
"volume": 33.28290496338164,
"volume_molar": 10.021716929559345,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy": -18.15793568,
"energy_per_atom": -9.07896784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.15793568,
"band_gap": 0.4780999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.248000Z",
"spacegroup": 216
},
{
"id": "mp-527",
"created_at": "2022-09-04T14:45:27.532789Z",
"structure_string": "Ba1 Cd1\n1.0\n4.279698 0.000000 0.000000\n0.000000 4.279698 0.000000\n0.000000 0.000000 4.279698\nBa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 5.290471211624134,
"density_atomic": 0.02551470928263893,
"volume": 78.3861567006318,
"volume_molar": 23.602623464331096,
"formula_full": "Ba1 Cd1",
"formula_reduced": "BaCd",
"formula_anonymous": "AB",
"energy": -3.49740878,
"energy_per_atom": -1.74870439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49740878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.060000Z",
"spacegroup": 221
},
{
"id": "mp-1187365",
"created_at": "2022-09-04T14:45:25.393933Z",
"structure_string": "Tb1 Pa1\n1.0\n1.648226 -2.854811 0.000000\n1.648226 2.854811 0.000000\n0.000000 0.000000 5.826037\nTb Pa\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 Pa\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Pa"
],
"chemical_system": "Pa-Tb",
"density": 11.810632951376904,
"density_atomic": 0.03647813610725627,
"volume": 54.82736272816741,
"volume_molar": 16.508904792430087,
"formula_full": "Tb1 Pa1",
"formula_reduced": "TbPa",
"formula_anonymous": "AB",
"energy": -13.73801328,
"energy_per_atom": -6.86900664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.73801328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.676000Z",
"spacegroup": 187
},
{
"id": "mp-10647",
"created_at": "2022-09-04T14:45:25.663130Z",
"structure_string": "Tl1 Se1\n1.0\n3.752654 0.000000 0.000000\n0.000000 3.752654 0.000000\n0.000000 0.000000 3.752654\nTl Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Se"
],
"chemical_system": "Se-Tl",
"density": 8.903207065469894,
"density_atomic": 0.03784551544519663,
"volume": 52.84641988549903,
"volume_molar": 15.91242896062691,
"formula_full": "Tl1 Se1",
"formula_reduced": "TlSe",
"formula_anonymous": "AB",
"energy": -6.4884395900000005,
"energy_per_atom": -3.2442197950000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.01643959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000379,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.607000Z",
"spacegroup": 221
},
{
"id": "mp-16732",
"created_at": "2022-09-04T14:45:27.035151Z",
"structure_string": "Y1 As1\n1.0\n3.586772 0.000000 0.000000\n0.000000 3.586772 0.000000\n0.000000 0.000000 3.586772\nY As\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"As"
],
"chemical_system": "As-Y",
"density": 5.895551758810445,
"density_atomic": 0.043342971598094755,
"volume": 46.14358282919196,
"volume_molar": 13.894157548405651,
"formula_full": "Y1 As1",
"formula_reduced": "YAs",
"formula_anonymous": "AB",
"energy": -13.25434217,
"energy_per_atom": -6.627171085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.25434217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.717000Z",
"spacegroup": 221
},
{
"id": "mp-2516",
"created_at": "2022-09-04T14:45:29.614874Z",
"structure_string": "Y1 Zn1\n1.0\n3.585441 0.000000 0.000000\n0.000000 3.585441 0.000000\n0.000000 0.000000 3.585441\nY Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 5.559414779735473,
"density_atomic": 0.04339125930960143,
"volume": 46.09223221040392,
"volume_molar": 13.878695515682917,
"formula_full": "Y1 Zn1",
"formula_reduced": "YZn",
"formula_anonymous": "AB",
"energy": -8.45970273,
"energy_per_atom": -4.229851365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45970273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0545209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.984000Z",
"spacegroup": 221
},
{
"id": "mp-1009459",
"created_at": "2022-09-04T14:45:25.635395Z",
"structure_string": "Nb1 C1\n1.0\n2.806433 0.000000 0.000000\n0.000000 2.806433 0.000000\n0.000000 0.000000 2.806433\nNb C\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.881906108501415,
"density_atomic": 0.09048278518407597,
"volume": 22.10365204752759,
"volume_molar": 6.655565197013667,
"formula_full": "Nb1 C1",
"formula_reduced": "NbC",
"formula_anonymous": "AB",
"energy": -18.41065715,
"energy_per_atom": -9.205328575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.41065715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.368000Z",
"spacegroup": 221
},
{
"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
}
]
}