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=id&page=9",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=7",
"results": [
{
"id": "mp-10021",
"created_at": "2022-09-04T14:39:08.011484Z",
"structure_string": "Ga2\n1.0\n1.376794 -4.448811 0.000000\n1.376794 4.448811 0.000000\n0.000000 0.000000 3.102618\nGa\n2\ndirect\n0.868285 0.131715 0.250000 Ga\n0.131715 0.868285 0.750000 Ga\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.09233722507633,
"density_atomic": 0.05262096057180036,
"volume": 38.00766801417537,
"volume_molar": 11.444376337035688,
"formula_full": "Ga2",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -6.02177077,
"energy_per_atom": -3.010885385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02177077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.269000Z",
"spacegroup": 63
},
{
"id": "mp-1002104",
"created_at": "2022-09-04T14:45:26.639465Z",
"structure_string": "La2 Pt2\n1.0\n1.995043 -5.561854 0.000000\n1.995043 5.561854 0.000000\n0.000000 0.000000 4.599234\nLa Pt\n2 2\ndirect\n0.863866 0.136134 0.750000 La\n0.136134 0.863866 0.250000 La\n0.591416 0.408584 0.750000 Pt\n0.408584 0.591416 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 10.867371681882188,
"density_atomic": 0.03918976366659034,
"volume": 102.06746930219535,
"volume_molar": 15.366616678869987,
"formula_full": "La2 Pt2",
"formula_reduced": "LaPt",
"formula_anonymous": "AB",
"energy": -26.74404196,
"energy_per_atom": -6.68601049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.74404196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001772,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.816000Z",
"spacegroup": 63
},
{
"id": "mp-1002105",
"created_at": "2022-09-04T14:45:11.014902Z",
"structure_string": "V1 N1\n1.0\n2.548104 0.000000 0.000000\n0.000000 2.548104 0.000000\n0.000000 0.000000 2.548104\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 6.518756638027997,
"density_atomic": 0.12088670684624148,
"volume": 16.544416273526625,
"volume_molar": 4.981640179560601,
"formula_full": "V1 N1",
"formula_reduced": "VN",
"formula_anonymous": "AB",
"energy": -18.74770589,
"energy_per_atom": -9.373852945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38670589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.411000Z",
"spacegroup": 221
},
{
"id": "mp-1002106",
"created_at": "2022-09-04T14:42:29.154467Z",
"structure_string": "Hf1 Pd1\n1.0\n3.327765 0.000000 0.000000\n0.000000 3.327765 0.000000\n0.000000 0.000000 3.327765\nHf Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Pd"
],
"chemical_system": "Hf-Pd",
"density": 12.838043445743617,
"density_atomic": 0.05427152766837319,
"volume": 36.85173581663342,
"volume_molar": 11.096317016905001,
"formula_full": "Hf1 Pd1",
"formula_reduced": "HfPd",
"formula_anonymous": "AB",
"energy": -16.39385447,
"energy_per_atom": -8.196927235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.39385447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.640000Z",
"spacegroup": 221
},
{
"id": "mp-1002107",
"created_at": "2022-09-04T14:44:19.299959Z",
"structure_string": "La2 Rh2\n1.0\n1.982598 -5.659690 0.000000\n1.982598 5.659690 0.000000\n0.000000 0.000000 4.273566\nLa Rh\n2 2\ndirect\n0.860816 0.139184 0.750000 La\n0.139184 0.860816 0.250000 La\n0.588213 0.411787 0.750000 Rh\n0.411787 0.588213 0.250000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Rh"
],
"chemical_system": "La-Rh",
"density": 8.373506722606786,
"density_atomic": 0.0417073188662786,
"volume": 95.906428625267,
"volume_molar": 14.43905032425628,
"formula_full": "La2 Rh2",
"formula_reduced": "LaRh",
"formula_anonymous": "AB",
"energy": -27.55038556,
"energy_per_atom": -6.88759639,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.55038556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.54e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.821000Z",
"spacegroup": 63
},
{
"id": "mp-1002109",
"created_at": "2022-09-04T14:39:35.551841Z",
"structure_string": "V1 Co1\n1.0\n2.895429 0.000000 0.000000\n0.000000 2.895429 0.000000\n0.000000 0.000000 2.895429\nV Co\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Co"
],
"chemical_system": "Co-V",
"density": 7.516367747422577,
"density_atomic": 0.08239317450582298,
"volume": 24.273855352650042,
"volume_molar": 7.3090286860769,
"formula_full": "V1 Co1",
"formula_reduced": "VCo",
"formula_anonymous": "AB",
"energy": -16.36449008,
"energy_per_atom": -8.18224504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36449008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8991424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.841000Z",
"spacegroup": 221
},
{
"id": "mp-1002114",
"created_at": "2022-09-04T14:45:54.582021Z",
"structure_string": "V1 H1\n1.0\n0.000000 1.971110 1.971110\n1.971110 0.000000 1.971110\n1.971110 1.971110 0.000000\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.632061498970682,
"density_atomic": 0.13057721941756856,
"volume": 15.31660736015726,
"volume_molar": 4.611938274425952,
"formula_full": "V1 H1",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -12.9610617,
"energy_per_atom": -6.48053085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7820617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.090000Z",
"spacegroup": 225
},
{
"id": "mp-1002115",
"created_at": "2022-09-04T14:43:52.023785Z",
"structure_string": "La2 Pd2\n1.0\n1.986772 -5.563599 0.000000\n1.986772 5.563599 0.000000\n0.000000 0.000000 4.694310\nLa Pd\n2 2\ndirect\n0.864330 0.135670 0.750000 La\n0.135670 0.864330 0.250000 La\n0.586886 0.413114 0.750000 Pd\n0.413114 0.586886 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Pd"
],
"chemical_system": "La-Pd",
"density": 7.850839881397315,
"density_atomic": 0.03854378664093451,
"volume": 103.77807549795575,
"volume_molar": 15.624154461264917,
"formula_full": "La2 Pd2",
"formula_reduced": "LaPd",
"formula_anonymous": "AB",
"energy": -23.55845951,
"energy_per_atom": -5.8896148775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.55845951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0398333,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.044000Z",
"spacegroup": 63
},
{
"id": "mp-1002117",
"created_at": "2022-09-04T14:43:53.488602Z",
"structure_string": "Tc1 N1\n1.0\n2.681072 0.000000 0.000000\n0.000000 2.681072 0.000000\n0.000000 0.000000 2.681072\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"N"
],
"chemical_system": "N-Tc",
"density": 9.650896724670822,
"density_atomic": 0.10377782499846057,
"volume": 19.271939839071283,
"volume_molar": 5.802916721456951,
"formula_full": "Tc1 N1",
"formula_reduced": "TcN",
"formula_anonymous": "AB",
"energy": -17.51340117,
"energy_per_atom": -8.756700585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.15240117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.063000Z",
"spacegroup": 221
},
{
"id": "mp-1002122",
"created_at": "2022-09-04T14:40:16.125795Z",
"structure_string": "Hf1 Ir1\n1.0\n3.284961 0.000000 0.000000\n0.000000 3.284961 0.000000\n0.000000 0.000000 3.284961\nHf Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.3655775067149,
"density_atomic": 0.05642081328934543,
"volume": 35.447911566664395,
"volume_molar": 10.673615655124255,
"formula_full": "Hf1 Ir1",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -20.60674136,
"energy_per_atom": -10.30337068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60674136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.630000Z",
"spacegroup": 221
},
{
"id": "mp-1002123",
"created_at": "2022-09-04T14:43:55.066294Z",
"structure_string": "K1 Zr1 S2\n1.0\n7.531840 -1.883610 0.000000\n7.531840 1.883610 0.000000\n7.060775 0.000000 3.228322\nK Zr S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zr\n0.733633 0.733633 0.733633 S\n0.266367 0.266367 0.266367 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Zr",
"S"
],
"chemical_system": "K-S-Zr",
"density": 3.525033652208396,
"density_atomic": 0.04366777630230524,
"volume": 91.6007257229821,
"volume_molar": 13.790811600548775,
"formula_full": "K1 Zr1 S2",
"formula_reduced": "KZrS2",
"formula_anonymous": "ABC2",
"energy": -24.90033272,
"energy_per_atom": -6.22508318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.89433272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.285742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.399000Z",
"spacegroup": 166
},
{
"id": "mp-1002124",
"created_at": "2022-09-04T14:44:56.095025Z",
"structure_string": "Hf1 C1\n1.0\n0.000000 2.521305 2.521305\n2.521305 0.000000 2.521305\n2.521305 2.521305 0.000000\nHf C\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"C"
],
"chemical_system": "C-Hf",
"density": 9.868235893097628,
"density_atomic": 0.0623912727057226,
"volume": 32.05576538618289,
"volume_molar": 9.652216566256456,
"formula_full": "Hf1 C1",
"formula_reduced": "HfC",
"formula_anonymous": "AB",
"energy": -19.78076078,
"energy_per_atom": -9.89038039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.78076078,
"band_gap": 0.2957000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.826000Z",
"spacegroup": 216
}
]
}