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=-structure_string&page=81",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=79",
"results": [
{
"id": "mp-754403",
"created_at": "2022-09-04T14:41:04.757056Z",
"structure_string": "Zr2 O4\n1.0\n-2.031493 2.031493 5.392588\n2.031493 -2.031493 5.392588\n2.031493 2.031493 -5.392588\nZr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Zr\n0.798211 0.798211 0.000000 O\n0.201789 0.201789 0.000000 O\n0.951789 0.451789 0.500000 O\n0.548211 0.048211 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.5970822436696395,
"density_atomic": 0.06740053715605135,
"volume": 89.02006205244773,
"volume_molar": 8.93485573572958,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -59.67959821999999,
"energy_per_atom": -9.946599703333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.93159822,
"band_gap": 3.4821000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.230000Z",
"spacegroup": 141
},
{
"id": "mp-12707",
"created_at": "2022-09-04T14:45:39.701923Z",
"structure_string": "Zr2 Np1\n1.0\n2.617336 -4.533360 0.000000\n2.617336 4.533360 0.000000\n0.000000 0.000000 2.811501\nZr Np\n2 1\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Np\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Np"
],
"chemical_system": "Np-Zr",
"density": 10.439490428203017,
"density_atomic": 0.0449648687153381,
"volume": 66.71875367839473,
"volume_molar": 13.39299086610203,
"formula_full": "Zr2 Np1",
"formula_reduced": "Zr2Np",
"formula_anonymous": "AB2",
"energy": -28.41561922,
"energy_per_atom": -9.471873073333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41561922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3002716,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.605000Z",
"spacegroup": 191
},
{
"id": "mp-505598",
"created_at": "2022-09-04T14:41:00.199346Z",
"structure_string": "Zr2 Ni8 P4\n1.0\n6.928404 0.000000 0.000000\n0.000000 6.928404 0.000000\n0.000000 0.000000 3.583177\nZr Ni P\n2 8 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.334841 0.085147 0.000000 Ni\n0.585147 0.165159 0.500000 Ni\n0.414853 0.834841 0.500000 Ni\n0.665159 0.914853 0.000000 Ni\n0.165159 0.585147 0.500000 Ni\n0.834841 0.414853 0.500000 Ni\n0.085147 0.334841 0.000000 Ni\n0.914853 0.665159 0.000000 Ni\n0.780459 0.219541 0.000000 P\n0.719541 0.719541 0.500000 P\n0.280459 0.280459 0.500000 P\n0.219541 0.780459 0.000000 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 7.49056749301416,
"density_atomic": 0.08139418265135939,
"volume": 172.00246435260667,
"volume_molar": 7.398736081416283,
"formula_full": "Zr2 Ni8 P4",
"formula_reduced": "Zr(Ni2P)2",
"formula_anonymous": "AB2C4",
"energy": -96.27011321,
"energy_per_atom": -6.876436657857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.27011321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.411000Z",
"spacegroup": 136
},
{
"id": "mp-1246335",
"created_at": "2022-09-04T14:39:05.410420Z",
"structure_string": "Zr2 Ni8 N8\n1.0\n5.444756 0.434753 -0.057204\n2.470475 5.171972 0.358820\n1.532869 2.804804 7.363515\nZr Ni N\n2 8 8\ndirect\n0.762114 0.740416 0.806210 Zr\n0.237886 0.259584 0.193790 Zr\n0.657273 0.664167 0.216276 Ni\n0.342727 0.335833 0.783724 Ni\n0.797603 0.173046 0.915342 Ni\n0.202397 0.826954 0.084658 Ni\n0.726867 0.481667 0.553240 Ni\n0.273133 0.518333 0.446760 Ni\n0.216998 0.950267 0.616662 Ni\n0.783002 0.049733 0.383338 Ni\n0.050740 0.737437 0.588503 N\n0.949260 0.262564 0.411497 N\n0.908330 0.772529 0.029363 N\n0.091670 0.227471 0.970637 N\n0.537029 0.547040 0.765080 N\n0.462971 0.452960 0.234920 N\n0.608372 0.859563 0.363283 N\n0.391628 0.140437 0.636717 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"N"
],
"chemical_system": "N-Ni-Zr",
"density": 6.530929078211935,
"density_atomic": 0.0926567957296573,
"volume": 194.2652976314679,
"volume_molar": 6.499405372888857,
"formula_full": "Zr2 Ni8 N8",
"formula_reduced": "Zr(NiN)4",
"formula_anonymous": "AB4C4",
"energy": -133.99934766,
"energy_per_atom": -7.444408203333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.11134766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.395000Z",
"spacegroup": 2
},
{
"id": "mp-1104853",
"created_at": "2022-09-04T14:46:55.014783Z",
"structure_string": "Zr2 Ni8 As4\n1.0\n7.083152 0.000000 0.000000\n0.000000 7.083152 0.000000\n0.000000 0.000000 3.755067\nZr Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.590199 0.154575 0.500000 Ni\n0.409801 0.845425 0.500000 Ni\n0.090199 0.345425 0.000000 Ni\n0.909801 0.654575 0.000000 Ni\n0.154575 0.590199 0.500000 Ni\n0.845425 0.409801 0.500000 Ni\n0.345425 0.090199 0.000000 Ni\n0.654575 0.909801 0.000000 Ni\n0.716963 0.716963 0.500000 As\n0.283037 0.283037 0.500000 As\n0.216963 0.783037 0.000000 As\n0.783037 0.216963 0.000000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"As"
],
"chemical_system": "As-Ni-Zr",
"density": 8.38822278751339,
"density_atomic": 0.07431170437480665,
"volume": 188.3956251277466,
"volume_molar": 8.103892664910592,
"formula_full": "Zr2 Ni8 As4",
"formula_reduced": "Zr(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy": -89.66754864,
"energy_per_atom": -6.404824902857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.66754864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8710251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.433000Z",
"spacegroup": 136
},
{
"id": "mp-2717",
"created_at": "2022-09-04T14:48:25.503817Z",
"structure_string": "Zr2 Ni7\n1.0\n4.115872 2.345614 0.000000\n-4.115872 2.345614 0.000000\n0.000000 1.739334 6.044204\nZr Ni\n2 7\ndirect\n0.607089 0.607089 0.228293 Zr\n0.392911 0.392911 0.771707 Zr\n0.000000 0.000000 0.500000 Ni\n0.292345 0.960625 0.156409 Ni\n0.039375 0.707655 0.843591 Ni\n0.707655 0.039375 0.843591 Ni\n0.960625 0.292345 0.156409 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.441842565039996,
"density_atomic": 0.07711786445987345,
"volume": 116.70447649238196,
"volume_molar": 7.809008719547058,
"formula_full": "Zr2 Ni7",
"formula_reduced": "Zr2Ni7",
"formula_anonymous": "A2B7",
"energy": -61.4021126,
"energy_per_atom": -6.822456955555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.4021126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:12.104000Z",
"spacegroup": 12
},
{
"id": "mp-485",
"created_at": "2022-09-04T14:41:54.781249Z",
"structure_string": "Zr2 Ni6\n1.0\n2.657819 -4.603477 0.000000\n2.657819 4.603477 0.000000\n0.000000 0.000000 4.305186\nZr Ni\n2 6\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.155709 0.311419 0.750000 Ni\n0.844291 0.155709 0.250000 Ni\n0.844291 0.688581 0.250000 Ni\n0.155709 0.844291 0.750000 Ni\n0.688581 0.844291 0.750000 Ni\n0.311419 0.155709 0.250000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.426584523462969,
"density_atomic": 0.07593756947158822,
"volume": 105.34969785928126,
"volume_molar": 7.93038386915078,
"formula_full": "Zr2 Ni6",
"formula_reduced": "ZrNi3",
"formula_anonymous": "AB3",
"energy": -55.44386553,
"energy_per_atom": -6.93048319125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.44386553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005354,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.805000Z",
"spacegroup": 194
},
{
"id": "mp-3469",
"created_at": "2022-09-04T14:42:06.111436Z",
"structure_string": "Zr2 Ni4 Sb2\n1.0\n2.117608 -3.667805 0.000000\n2.117608 3.667805 0.000000\n0.000000 0.000000 8.306772\nZr Ni Sb\n2 4 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.404184 Ni\n0.333333 0.666667 0.904184 Ni\n0.666667 0.333333 0.095816 Ni\n0.333333 0.666667 0.595816 Ni\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Zr",
"density": 8.502891843827832,
"density_atomic": 0.06199774504076354,
"volume": 129.0369511784662,
"volume_molar": 9.713483540474643,
"formula_full": "Zr2 Ni4 Sb2",
"formula_reduced": "ZrNi2Sb",
"formula_anonymous": "ABC2",
"energy": -53.31859398,
"energy_per_atom": -6.6648242475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.93459398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003971,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.261000Z",
"spacegroup": 194
},
{
"id": "mp-2250",
"created_at": "2022-09-04T14:39:36.803538Z",
"structure_string": "Zr2 Ni4\n1.0\n0.000000 3.484144 3.484144\n3.484144 0.000000 3.484144\n3.484144 3.484144 0.000000\nZr Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.190258282626822,
"density_atomic": 0.07093049102315824,
"volume": 84.58985569465533,
"volume_molar": 8.490200297688366,
"formula_full": "Zr2 Ni4",
"formula_reduced": "ZrNi2",
"formula_anonymous": "AB2",
"energy": -42.68785778,
"energy_per_atom": -7.114642963333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.68785778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.147000Z",
"spacegroup": 227
},
{
"id": "mp-1078514",
"created_at": "2022-09-04T14:48:12.316896Z",
"structure_string": "Zr2 Ni2 P4\n1.0\n3.607617 0.000000 0.000000\n0.000000 3.607617 0.000000\n0.000000 0.000000 8.968561\nZr Ni P\n2 2 4\ndirect\n0.000000 0.500000 0.770365 Zr\n0.500000 0.000000 0.229635 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.344933 P\n0.500000 0.000000 0.655067 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 6.028017977411449,
"density_atomic": 0.06853720208320523,
"volume": 116.72492831393782,
"volume_molar": 8.786674356343038,
"formula_full": "Zr2 Ni2 P4",
"formula_reduced": "ZrNiP2",
"formula_anonymous": "ABC2",
"energy": -57.84739155,
"energy_per_atom": -7.23092394375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.84739155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001483,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:43.722000Z",
"spacegroup": 129
},
{
"id": "mp-21204",
"created_at": "2022-09-04T14:39:13.374634Z",
"structure_string": "Zr2 Ni2 P2\n1.0\n2.267992 -3.928277 0.000000\n2.267992 3.928277 0.000000\n0.000000 0.000000 5.211414\nZr Ni P\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"P"
],
"chemical_system": "Ni-P-Zr",
"density": 6.469448323842921,
"density_atomic": 0.0646133200126027,
"volume": 92.86010994063936,
"volume_molar": 9.320277550860093,
"formula_full": "Zr2 Ni2 P2",
"formula_reduced": "ZrNiP",
"formula_anonymous": "ABC",
"energy": -43.07428313,
"energy_per_atom": -7.179047188333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.07428313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.474000Z",
"spacegroup": 194
},
{
"id": "mp-29658",
"created_at": "2022-09-04T14:39:24.645481Z",
"structure_string": "Zr2 Ni2 H6\n1.0\n1.757987 -5.259842 0.000000\n1.757987 5.259842 0.000000\n0.000000 0.000000 4.331675\nZr Ni H\n2 2 6\ndirect\n0.859796 0.140204 0.750000 Zr\n0.140204 0.859796 0.250000 Zr\n0.568807 0.431193 0.750000 Ni\n0.431193 0.568807 0.250000 Ni\n0.068242 0.931758 0.750000 H\n0.931758 0.068242 0.250000 H\n0.686675 0.313325 0.496818 H\n0.313325 0.686675 0.503182 H\n0.686675 0.313325 0.003182 H\n0.313325 0.686675 0.996818 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"H"
],
"chemical_system": "H-Ni-Zr",
"density": 6.3405864054916785,
"density_atomic": 0.12483195782016408,
"volume": 80.10769176917212,
"volume_molar": 4.824197957926479,
"formula_full": "Zr2 Ni2 H6",
"formula_reduced": "ZrNiH3",
"formula_anonymous": "ABC3",
"energy": -54.38467611,
"energy_per_atom": -5.438467611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.31067611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.016000Z",
"spacegroup": 63
}
]
}