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=-created_at&page=11466",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=11464",
"results": [
{
"id": "mp-1093592",
"created_at": "2022-09-04T14:39:31.133582Z",
"structure_string": "Li2 Sn1 Bi1\n1.0\n-5.591259 5.783995 8.178281\n5.591259 -5.783995 8.178281\n5.591259 5.783995 -8.178281\nLi Sn Bi\n2 1 1\ndirect\n0.000000 0.250168 0.250168 Li\n0.000000 0.749832 0.749832 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Bi"
],
"chemical_system": "Bi-Li-Sn",
"density": 0.5361327408081622,
"density_atomic": 0.0037809458051143554,
"volume": 1057.936348780598,
"volume_molar": 159.2760401869304,
"formula_full": "Li2 Sn1 Bi1",
"formula_reduced": "Li2SnBi",
"formula_anonymous": "ABC2",
"energy": -7.55611391,
"energy_per_atom": -1.8890284775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.55611391,
"band_gap": 0.0878999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.684000Z",
"spacegroup": 71
},
{
"id": "mp-590",
"created_at": "2022-09-04T14:39:31.133323Z",
"structure_string": "Ni2 As2\n1.0\n1.822902 -3.157359 0.000000\n1.822902 3.157359 0.000000\n0.000000 0.000000 5.045066\nNi As\n2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"As"
],
"chemical_system": "As-Ni",
"density": 7.6409995629308884,
"density_atomic": 0.0688772591864239,
"volume": 58.07432013480035,
"volume_molar": 8.743293259826748,
"formula_full": "Ni2 As2",
"formula_reduced": "NiAs",
"formula_anonymous": "AB",
"energy": -22.0198782,
"energy_per_atom": -5.50496955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.0198782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.556000Z",
"spacegroup": 194
},
{
"id": "mp-1504124",
"created_at": "2022-09-04T14:39:31.130262Z",
"structure_string": "Mg1 Cr2 N2\n1.0\n3.700640 0.000000 0.000000\n0.000000 3.700640 0.000000\n0.000000 0.000000 5.468821\nMg Cr N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.748144 Cr\n0.500000 0.500000 0.251856 Cr\n0.500000 0.000000 0.229985 N\n0.000000 0.500000 0.770015 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"N"
],
"chemical_system": "Cr-Mg-N",
"density": 3.465693416307987,
"density_atomic": 0.06676096691850876,
"volume": 74.89406206628507,
"volume_molar": 9.020451677026903,
"formula_full": "Mg1 Cr2 N2",
"formula_reduced": "Mg(CrN)2",
"formula_anonymous": "AB2C2",
"energy": -37.61353644,
"energy_per_atom": -7.522707287999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.89153644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9936751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.730000Z",
"spacegroup": 115
},
{
"id": "mp-1189800",
"created_at": "2022-09-04T14:39:31.120827Z",
"structure_string": "Yb10 Ir6\n1.0\n4.154742 -7.196225 0.000000\n4.154742 7.196225 0.000000\n0.000000 0.000000 5.966096\nYb Ir\n10 6\ndirect\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.734200 0.734200 0.250000 Yb\n0.265800 0.000000 0.250000 Yb\n0.000000 0.265800 0.250000 Yb\n0.265800 0.265800 0.750000 Yb\n0.734200 0.000000 0.750000 Yb\n0.000000 0.734200 0.750000 Yb\n0.393493 0.393493 0.250000 Ir\n0.606507 0.000000 0.250000 Ir\n0.000000 0.606507 0.250000 Ir\n0.606507 0.606507 0.750000 Ir\n0.393493 0.000000 0.750000 Ir\n0.000000 0.393493 0.750000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Ir"
],
"chemical_system": "Ir-Yb",
"density": 13.422408410754292,
"density_atomic": 0.04484881326334215,
"volume": 356.75414433045523,
"volume_molar": 13.427647961695984,
"formula_full": "Yb10 Ir6",
"formula_reduced": "Yb5Ir3",
"formula_anonymous": "A3B5",
"energy": -75.78660414,
"energy_per_atom": -4.73666275875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.78660414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.454000Z",
"spacegroup": 193
},
{
"id": "mp-728315",
"created_at": "2022-09-04T14:39:31.114176Z",
"structure_string": "Cu2 H18 C2 S2 N8 Cl6 O2\n1.0\n8.941072 0.000000 0.000000\n-3.678555 8.939317 0.000000\n-0.281745 -1.302017 7.386558\nCu H C S N Cl O\n2 18 2 2 8 6 2\ndirect\n0.885401 0.775371 0.908183 Cu\n0.114599 0.224629 0.091817 Cu\n0.966205 0.750717 0.362816 H\n0.033795 0.249283 0.637184 H\n0.679704 0.717547 0.529920 H\n0.320296 0.282453 0.470080 H\n0.728718 0.938969 0.493495 H\n0.271282 0.061031 0.506505 H\n0.366678 0.799309 0.495087 H\n0.633322 0.200691 0.504913 H\n0.253092 0.434251 0.917799 H\n0.746908 0.565749 0.082201 H\n0.383948 0.857086 0.092948 H\n0.616052 0.142914 0.907052 H\n0.468540 0.626047 0.754786 H\n0.531460 0.373953 0.245214 H\n0.335391 0.773367 0.405077 H\n0.664609 0.226633 0.594923 H\n0.121060 0.699310 0.402804 H\n0.878940 0.300690 0.597196 H\n0.154653 0.742152 0.794355 C\n0.845347 0.257848 0.205645 C\n0.087920 0.652989 0.039136 S\n0.912080 0.347011 0.960864 S\n0.815686 0.893538 0.726083 N\n0.184314 0.106462 0.273917 N\n0.738957 0.846402 0.579745 N\n0.261043 0.153598 0.420255 N\n0.199269 0.665669 0.931588 N\n0.800731 0.334331 0.068412 N\n0.129605 0.817009 0.675140 N\n0.870395 0.182991 0.324860 N\n0.504947 0.024853 0.800232 Cl\n0.495053 0.975147 0.199768 Cl\n0.728929 0.738810 0.068504 Cl\n0.271071 0.261190 0.931496 Cl\n0.511544 0.486522 0.708699 Cl\n0.488456 0.513478 0.291301 Cl\n0.017990 0.671589 0.320805 O\n0.982010 0.328411 0.679195 O\n",
"nsites": 40,
"nelements": 7,
"elements": [
"Cu",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Cu-H-N-O-S",
"density": 1.6598942156639933,
"density_atomic": 0.06775228530409894,
"volume": 590.3859894978339,
"volume_molar": 8.888468828719594,
"formula_full": "Cu2 H18 C2 S2 N8 Cl6 O2",
"formula_reduced": "CuH9CSN4Cl3O",
"formula_anonymous": "ABCDE3F4G9",
"energy": -171.27380502,
"energy_per_atom": -4.2818451255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.32780501999997,
"band_gap": 0.3418999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0034983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.739000Z",
"spacegroup": 2
},
{
"id": "mp-31394",
"created_at": "2022-09-04T14:39:31.114062Z",
"structure_string": "Ca28 Sn24\n1.0\n7.936946 0.000000 0.000000\n0.000000 8.506550 0.000000\n0.000000 0.000000 23.906880\nCa Sn\n28 24\ndirect\n0.996743 0.674789 0.663586 Ca\n0.496743 0.825211 0.836414 Ca\n0.503257 0.174789 0.336414 Ca\n0.003257 0.325211 0.163586 Ca\n0.003257 0.325211 0.336414 Ca\n0.503257 0.174789 0.163586 Ca\n0.496743 0.825211 0.663586 Ca\n0.996743 0.674789 0.836414 Ca\n0.828573 0.179750 0.647482 Ca\n0.328573 0.320250 0.852518 Ca\n0.671427 0.679750 0.352518 Ca\n0.171427 0.820250 0.147482 Ca\n0.171427 0.820250 0.352518 Ca\n0.671427 0.679750 0.147482 Ca\n0.328573 0.320250 0.647482 Ca\n0.828573 0.179750 0.852518 Ca\n0.669568 0.325844 0.021518 Ca\n0.169568 0.174156 0.478482 Ca\n0.830432 0.825844 0.978482 Ca\n0.330432 0.674156 0.521518 Ca\n0.330432 0.674156 0.978482 Ca\n0.830432 0.825844 0.521518 Ca\n0.169568 0.174156 0.021518 Ca\n0.669568 0.325844 0.478482 Ca\n0.665818 0.493764 0.750000 Ca\n0.165818 0.006236 0.750000 Ca\n0.834182 0.993764 0.250000 Ca\n0.334182 0.506236 0.250000 Ca\n0.000279 0.444538 0.558124 Sn\n0.500279 0.055462 0.941876 Sn\n0.499721 0.944538 0.441876 Sn\n0.999721 0.555462 0.058124 Sn\n0.999721 0.555462 0.441876 Sn\n0.499721 0.944538 0.058124 Sn\n0.500279 0.055462 0.558124 Sn\n0.000279 0.444538 0.941876 Sn\n0.841413 0.024832 0.099143 Sn\n0.341413 0.475168 0.400857 Sn\n0.658587 0.524832 0.900857 Sn\n0.158587 0.975168 0.599143 Sn\n0.158587 0.975168 0.900857 Sn\n0.658587 0.524832 0.599143 Sn\n0.341413 0.475168 0.099143 Sn\n0.841413 0.024832 0.400857 Sn\n0.793130 0.886726 0.750000 Sn\n0.293130 0.613274 0.750000 Sn\n0.706870 0.386726 0.250000 Sn\n0.206870 0.113274 0.250000 Sn\n0.541908 0.135286 0.750000 Sn\n0.041908 0.364714 0.750000 Sn\n0.958092 0.635286 0.250000 Sn\n0.458092 0.864714 0.250000 Sn\n",
"nsites": 52,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.085485709442314,
"density_atomic": 0.032216143970576545,
"volume": 1614.0975793841849,
"volume_molar": 18.692928506590068,
"formula_full": "Ca28 Sn24",
"formula_reduced": "Ca7Sn6",
"formula_anonymous": "A6B7",
"energy": -185.64924345,
"energy_per_atom": -3.570177758653846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.64924345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0718889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.828000Z",
"spacegroup": 62
},
{
"id": "mp-631540",
"created_at": "2022-09-04T14:39:31.112874Z",
"structure_string": "Ni1 B1 Te1\n1.0\n0.000000 2.856243 2.856243\n2.856243 0.000000 2.856243\n2.856243 2.856243 0.000000\nNi B Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ni",
"B",
"Te"
],
"chemical_system": "B-Ni-Te",
"density": 7.02311794356365,
"density_atomic": 0.06437330396201912,
"volume": 46.60316956498037,
"volume_molar": 9.355028232748658,
"formula_full": "Ni1 B1 Te1",
"formula_reduced": "NiBTe",
"formula_anonymous": "ABC",
"energy": -13.80743177,
"energy_per_atom": -4.602477256666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.38543177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.753000Z",
"spacegroup": 216
},
{
"id": "mp-1080178",
"created_at": "2022-09-04T14:39:31.112181Z",
"structure_string": "Gd3 Zn3 Pd3\n1.0\n3.680238 -6.374358 0.000000\n3.680238 6.374358 0.000000\n0.000000 0.000000 3.925705\nGd Zn Pd\n3 3 3\ndirect\n0.000000 0.403557 0.500000 Gd\n0.596443 0.596443 0.500000 Gd\n0.403557 0.000000 0.500000 Gd\n0.000000 0.749717 0.000000 Zn\n0.250283 0.250283 0.000000 Zn\n0.749717 0.000000 0.000000 Zn\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Gd",
"Zn",
"Pd"
],
"chemical_system": "Gd-Pd-Zn",
"density": 8.90042014711057,
"density_atomic": 0.04886326654167779,
"volume": 184.18744052494884,
"volume_molar": 12.324474367393004,
"formula_full": "Gd3 Zn3 Pd3",
"formula_reduced": "GdZnPd",
"formula_anonymous": "ABC",
"energy": -68.16436984,
"energy_per_atom": -7.573818871111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.16436984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.5422383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.274000Z",
"spacegroup": 189
},
{
"id": "mp-1405",
"created_at": "2022-09-04T14:39:31.111575Z",
"structure_string": "Tb2 Ge2\n1.0\n2.165283 -5.399600 0.000000\n2.165283 5.399600 0.000000\n0.000000 0.000000 3.970418\nTb Ge\n2 2\ndirect\n0.862190 0.137810 0.750000 Tb\n0.137810 0.862190 0.250000 Tb\n0.414641 0.585359 0.250000 Ge\n0.585359 0.414641 0.750000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ge"
],
"chemical_system": "Ge-Tb",
"density": 8.283429614153292,
"density_atomic": 0.04308414806379491,
"volume": 92.84157119869657,
"volume_molar": 13.977625253452818,
"formula_full": "Tb2 Ge2",
"formula_reduced": "TbGe",
"formula_anonymous": "AB",
"energy": -22.01518627,
"energy_per_atom": -5.5037965675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.01518627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.332000Z",
"spacegroup": 63
},
{
"id": "mp-1066609",
"created_at": "2022-09-04T14:39:31.108123Z",
"structure_string": "V1 Fe1 Co1 Si1\n1.0\n0.000000 2.825650 2.825650\n2.825650 0.000000 2.825650\n2.825650 2.825650 0.000000\nV Fe Co Si\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 4,
"elements": [
"V",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si-V",
"density": 7.132296934212773,
"density_atomic": 0.08864921519733043,
"volume": 45.12166284942425,
"volume_molar": 6.7932251251123885,
"formula_full": "V1 Fe1 Co1 Si1",
"formula_reduced": "VFeCoSi",
"formula_anonymous": "ABCD",
"energy": -31.90520045,
"energy_per_atom": -7.9763001125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.97620045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9745734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.856000Z",
"spacegroup": 216
},
{
"id": "mp-1079872",
"created_at": "2022-09-04T14:39:31.106420Z",
"structure_string": "Pr2 Fe2 Sb4\n1.0\n4.393349 0.000000 0.000000\n0.000000 4.393349 0.000000\n0.000000 0.000000 9.938171\nPr Fe Sb\n2 2 4\ndirect\n0.000000 0.500000 0.744570 Pr\n0.500000 0.000000 0.255430 Pr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.367049 Sb\n0.500000 0.000000 0.632951 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Fe",
"Sb"
],
"chemical_system": "Fe-Pr-Sb",
"density": 7.622596431407649,
"density_atomic": 0.041705382955288375,
"volume": 191.82176096012984,
"volume_molar": 14.439720566662182,
"formula_full": "Pr2 Fe2 Sb4",
"formula_reduced": "PrFeSb2",
"formula_anonymous": "ABC2",
"energy": -47.80489974,
"energy_per_atom": -5.9756124675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.03689974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9022286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.091000Z",
"spacegroup": 129
},
{
"id": "mp-25391",
"created_at": "2022-09-04T14:39:31.102022Z",
"structure_string": "Li4 Cr2 P2 O8 F2\n1.0\n5.310684 0.000000 0.000000\n-0.379624 5.555515 0.000000\n-2.250200 -2.481197 6.846816\nLi Cr P O F\n4 2 2 8 2\ndirect\n0.168220 0.546398 0.125894 Li\n0.520133 0.180518 0.855874 Li\n0.490987 0.912906 0.476449 Li\n0.760796 0.441385 0.675399 Li\n0.008118 0.999940 0.020213 Cr\n0.994288 0.996186 0.508372 Cr\n0.650569 0.348687 0.248861 P\n0.356787 0.663537 0.787523 P\n0.712081 0.195810 0.392046 O\n0.289455 0.831584 0.653767 O\n0.366838 0.382734 0.675445 O\n0.133073 0.662577 0.883852 O\n0.855837 0.327334 0.136478 O\n0.636544 0.783713 0.937735 O\n0.648916 0.627149 0.365227 O\n0.368694 0.240056 0.085609 O\n0.812326 0.110350 0.720062 F\n0.154221 0.880763 0.292606 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P",
"density": 2.956793115290634,
"density_atomic": 0.08910643388704123,
"volume": 202.0056152490437,
"volume_molar": 6.758368051889687,
"formula_full": "Li4 Cr2 P2 O8 F2",
"formula_reduced": "Li2CrPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -129.10617762,
"energy_per_atom": -7.172565423333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.68817762,
"band_gap": 2.8006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.455000Z",
"spacegroup": 1
}
]
}