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=spacegroup&page=11569",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11567",
"results": [
{
"id": "mp-631336",
"created_at": "2022-09-04T14:42:45.829466Z",
"structure_string": "La1 Mg1 Nb2\n1.0\n0.000000 3.517090 3.517090\n3.517090 0.000000 3.517090\n3.517090 3.517090 0.000000\nLa Mg Nb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Nb"
],
"chemical_system": "La-Mg-Nb",
"density": 6.660747797340353,
"density_atomic": 0.04597053418628369,
"volume": 87.01225841298766,
"volume_molar": 13.100001700212646,
"formula_full": "La1 Mg1 Nb2",
"formula_reduced": "LaMgNb2",
"formula_anonymous": "ABC2",
"energy": -24.16705856,
"energy_per_atom": -6.04176464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.16705856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.123046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.430000Z",
"spacegroup": 225
},
{
"id": "mp-1112961",
"created_at": "2022-09-04T14:42:45.830854Z",
"structure_string": "Cs2 In2 Cl6\n1.0\n0.000000 5.584716 5.584716\n5.584716 0.000000 5.584716\n5.584716 5.584716 0.000000\nCs In Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.770342 0.229658 0.229658 Cl\n0.229658 0.229658 0.770342 Cl\n0.229658 0.770342 0.770342 Cl\n0.229658 0.770342 0.229658 Cl\n0.770342 0.229658 0.770342 Cl\n0.770342 0.770342 0.229658 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In",
"density": 3.375594129984166,
"density_atomic": 0.02870560641644073,
"volume": 348.3640044013368,
"volume_molar": 20.978970702221098,
"formula_full": "Cs2 In2 Cl6",
"formula_reduced": "CsInCl3",
"formula_anonymous": "ABC3",
"energy": -36.55730465,
"energy_per_atom": -3.655730465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87330465,
"band_gap": 1.7756999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.406000Z",
"spacegroup": 225
},
{
"id": "mp-24287",
"created_at": "2022-09-04T14:42:46.017142Z",
"structure_string": "Cr1 H1\n1.0\n0.000000 1.889517 1.889517\n1.889517 0.000000 1.889517\n1.889517 1.889517 0.000000\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 6.523424854788317,
"density_atomic": 0.14823391849524625,
"volume": 13.4921886994719,
"volume_molar": 4.062592975435056,
"formula_full": "Cr1 H1",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy": -13.16174567,
"energy_per_atom": -6.580872835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.98274567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.937000Z",
"spacegroup": 225
},
{
"id": "mp-1120741",
"created_at": "2022-09-04T14:42:45.998425Z",
"structure_string": "Cs2 Hf1 Cl6\n1.0\n0.000000 5.350373 5.350373\n5.350373 0.000000 5.350373\n5.350373 5.350373 0.000000\nCs Hf Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Hf\n0.769300 0.769300 0.230700 Cl\n0.769300 0.230700 0.769300 Cl\n0.230700 0.769300 0.230700 Cl\n0.230700 0.230700 0.769300 Cl\n0.230700 0.769300 0.769300 Cl\n0.769300 0.230700 0.230700 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Hf",
"Cl"
],
"chemical_system": "Cl-Cs-Hf",
"density": 3.561597088661356,
"density_atomic": 0.029380577930889214,
"volume": 306.3248116211447,
"volume_molar": 20.497012598477966,
"formula_full": "Cs2 Hf1 Cl6",
"formula_reduced": "Cs2HfCl6",
"formula_anonymous": "AB2C6",
"energy": -44.7445414,
"energy_per_atom": -4.971615711111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.0605414,
"band_gap": 4.2277000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.791000Z",
"spacegroup": 225
},
{
"id": "mp-1228393",
"created_at": "2022-09-04T14:42:46.026983Z",
"structure_string": "Ba2 In1 Bi1 O6\n1.0\n0.000000 4.300949 4.300949\n4.300949 0.000000 4.300949\n4.300949 4.300949 0.000000\nBa In Bi O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Bi\n0.252076 0.252076 0.747924 O\n0.747924 0.747924 0.252076 O\n0.747924 0.252076 0.747924 O\n0.252076 0.747924 0.252076 O\n0.747924 0.252076 0.252076 O\n0.252076 0.747924 0.747924 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"In",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-In-O",
"density": 7.2471367317719935,
"density_atomic": 0.06284592546027798,
"volume": 159.11930529721516,
"volume_molar": 9.582388541332433,
"formula_full": "Ba2 In1 Bi1 O6",
"formula_reduced": "Ba2InBiO6",
"formula_anonymous": "ABC2D6",
"energy": -63.00334384,
"energy_per_atom": -6.300334384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.88134384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.914000Z",
"spacegroup": 225
},
{
"id": "mp-1112623",
"created_at": "2022-09-04T14:42:46.071257Z",
"structure_string": "Cs2 K1 Ga1 Br6\n1.0\n0.000000 5.758435 5.758435\n5.758435 0.000000 5.758435\n5.758435 5.758435 0.000000\nCs K Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.776258 0.223742 0.223742 Br\n0.223742 0.223742 0.776258 Br\n0.223742 0.776258 0.776258 Br\n0.223742 0.776258 0.223742 Br\n0.776258 0.223742 0.776258 Br\n0.776258 0.776258 0.223742 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga-K",
"density": 3.713574548190115,
"density_atomic": 0.026185242329695355,
"volume": 381.89449897354996,
"volume_molar": 22.998224282883935,
"formula_full": "Cs2 K1 Ga1 Br6",
"formula_reduced": "Cs2KGaBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.80937287,
"energy_per_atom": -3.2809372869999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.605372870000004,
"band_gap": 2.1255,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.185000Z",
"spacegroup": 225
},
{
"id": "mp-866132",
"created_at": "2022-09-04T14:42:52.340426Z",
"structure_string": "Na2 Tl1 Sb1\n1.0\n0.000000 3.809773 3.809773\n3.809773 0.000000 3.809773\n3.809773 3.809773 0.000000\nNa Tl Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Sb"
],
"chemical_system": "Na-Sb-Tl",
"density": 5.587378959762188,
"density_atomic": 0.03616868313375826,
"volume": 110.59291224972954,
"volume_molar": 16.650152115654986,
"formula_full": "Na2 Tl1 Sb1",
"formula_reduced": "Na2TlSb",
"formula_anonymous": "ABC2",
"energy": -10.59062523,
"energy_per_atom": -2.6476563075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.39862523,
"band_gap": 0.3797000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.387000Z",
"spacegroup": 225
},
{
"id": "mp-22372",
"created_at": "2022-09-04T14:42:46.232519Z",
"structure_string": "Mn6 Ni16 P7\n1.0\n0.000000 5.485636 5.485636\n5.485636 0.000000 5.485636\n5.485636 5.485636 0.000000\nMn Ni P\n6 16 7\ndirect\n0.808631 0.191369 0.808631 Mn\n0.191369 0.191369 0.808631 Mn\n0.808631 0.808631 0.191369 Mn\n0.808631 0.191369 0.191369 Mn\n0.191369 0.808631 0.808631 Mn\n0.191369 0.808631 0.191369 Mn\n0.507350 0.164217 0.164217 Ni\n0.835783 0.835783 0.835783 Ni\n0.149758 0.616747 0.616747 Ni\n0.616747 0.149758 0.616747 Ni\n0.616747 0.616747 0.149758 Ni\n0.383253 0.850242 0.383253 Ni\n0.383253 0.383253 0.850242 Ni\n0.850242 0.383253 0.383253 Ni\n0.616747 0.616747 0.616747 Ni\n0.164217 0.164217 0.507350 Ni\n0.164217 0.507350 0.164217 Ni\n0.835783 0.835783 0.492650 Ni\n0.835783 0.492650 0.835783 Ni\n0.492650 0.835783 0.835783 Ni\n0.164217 0.164217 0.164217 Ni\n0.383253 0.383253 0.383253 Ni\n0.500000 0.500000 0.500000 P\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"P"
],
"chemical_system": "Mn-Ni-P",
"density": 7.471747744375105,
"density_atomic": 0.08783893115513788,
"volume": 330.14973678107793,
"volume_molar": 6.855890299215865,
"formula_full": "Mn6 Ni16 P7",
"formula_reduced": "Mn6Ni16P7",
"formula_anonymous": "A6B7C16",
"energy": -197.71173756,
"energy_per_atom": -6.81764612275862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.71173756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9357068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.424000Z",
"spacegroup": 225
},
{
"id": "mp-570661",
"created_at": "2022-09-04T14:42:46.298257Z",
"structure_string": "Ta6 Co16 Si7\n1.0\n0.000000 5.584105 5.584105\n5.584105 0.000000 5.584105\n5.584105 5.584105 0.000000\nTa Co Si\n6 16 7\ndirect\n0.202212 0.797788 0.797788 Ta\n0.202212 0.797788 0.202212 Ta\n0.797788 0.202212 0.202212 Ta\n0.797788 0.202212 0.797788 Ta\n0.797788 0.797788 0.202212 Ta\n0.202212 0.202212 0.797788 Ta\n0.381470 0.381470 0.381470 Co\n0.498378 0.833874 0.833874 Co\n0.618530 0.618530 0.144409 Co\n0.166126 0.166126 0.501622 Co\n0.833874 0.833874 0.498378 Co\n0.166126 0.166126 0.166126 Co\n0.833874 0.833874 0.833874 Co\n0.381470 0.381470 0.855591 Co\n0.833874 0.498378 0.833874 Co\n0.618530 0.618530 0.618530 Co\n0.381470 0.855591 0.381470 Co\n0.144409 0.618530 0.618530 Co\n0.618530 0.144409 0.618530 Co\n0.166126 0.501622 0.166126 Co\n0.855591 0.381470 0.381470 Co\n0.501622 0.166126 0.166126 Co\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ta",
"density": 10.610374766169748,
"density_atomic": 0.08327358744349489,
"volume": 348.2496778426639,
"volume_molar": 7.231753722735086,
"formula_full": "Ta6 Co16 Si7",
"formula_reduced": "Ta6Co16Si7",
"formula_anonymous": "A6B7C16",
"energy": -239.19898836,
"energy_per_atom": -8.248240977931035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.69598836000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3853721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.068000Z",
"spacegroup": 225
},
{
"id": "mp-1186232",
"created_at": "2022-09-04T14:42:46.596321Z",
"structure_string": "Nb1 Tc2 Sn1\n1.0\n0.000000 3.223810 3.223810\n3.223810 0.000000 3.223810\n3.223810 3.223810 0.000000\nNb Tc Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Tc",
"Sn"
],
"chemical_system": "Nb-Sn-Tc",
"density": 10.100954509677532,
"density_atomic": 0.05969276297351565,
"volume": 67.00979818566466,
"volume_molar": 10.088560924331631,
"formula_full": "Nb1 Tc2 Sn1",
"formula_reduced": "NbTc2Sn",
"formula_anonymous": "ABC2",
"energy": -35.4897882,
"energy_per_atom": -8.87244705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.4897882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.908000Z",
"spacegroup": 225
},
{
"id": "mp-1039454",
"created_at": "2022-09-04T14:42:46.511237Z",
"structure_string": "Ca3 Zn1\n1.0\n0.000000 3.989021 3.989021\n3.989021 0.000000 3.989021\n3.989021 3.989021 0.000000\nCa Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.4282797149201274,
"density_atomic": 0.031508739360935185,
"volume": 126.94890627580092,
"volume_molar": 19.112604573023013,
"formula_full": "Ca3 Zn1",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy": -7.07542353,
"energy_per_atom": -1.7688558825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.07542353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.481000Z",
"spacegroup": 225
},
{
"id": "mp-973890",
"created_at": "2022-09-04T14:42:46.352477Z",
"structure_string": "Ho1 Hf1 Ru2\n1.0\n0.000000 3.311024 3.311024\n3.311024 0.000000 3.311024\n3.311024 3.311024 0.000000\nHo Hf Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Hf",
"Ru"
],
"chemical_system": "Hf-Ho-Ru",
"density": 12.47885938469073,
"density_atomic": 0.055098910246862975,
"volume": 72.59671710526685,
"volume_molar": 10.929691228045415,
"formula_full": "Ho1 Hf1 Ru2",
"formula_reduced": "HoHfRu2",
"formula_anonymous": "ABC2",
"energy": -35.42276599,
"energy_per_atom": -8.8556914975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.42276599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.531000Z",
"spacegroup": 225
}
]
}