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=10137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10135",
"results": [
{
"id": "mp-11406",
"created_at": "2022-09-04T14:39:23.101716Z",
"structure_string": "Pr3 Ga1\n1.0\n4.903213 0.000000 0.000000\n0.000000 4.903213 0.000000\n0.000000 0.000000 4.903213\nPr Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Ga"
],
"chemical_system": "Ga-Pr",
"density": 6.93689926865519,
"density_atomic": 0.03393264487054398,
"volume": 117.88058417669329,
"volume_molar": 17.74733676957689,
"formula_full": "Pr3 Ga1",
"formula_reduced": "Pr3Ga",
"formula_anonymous": "AB3",
"energy": -18.30264154,
"energy_per_atom": -4.575660385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30264154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.035000Z",
"spacegroup": 221
},
{
"id": "mp-11404",
"created_at": "2022-09-04T14:39:21.128921Z",
"structure_string": "Pr2 Ga2\n1.0\n2.253168 -5.724816 0.000000\n2.253168 5.724816 0.000000\n0.000000 0.000000 4.205310\nPr Ga\n2 2\ndirect\n0.859015 0.140985 0.750000 Pr\n0.140985 0.859015 0.250000 Pr\n0.569631 0.430369 0.750000 Ga\n0.430369 0.569631 0.250000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Ga"
],
"chemical_system": "Ga-Pr",
"density": 6.4478888469112645,
"density_atomic": 0.03687031707337234,
"volume": 108.48835370848467,
"volume_molar": 16.333303421329067,
"formula_full": "Pr2 Ga2",
"formula_reduced": "PrGa",
"formula_anonymous": "AB",
"energy": -17.93466542,
"energy_per_atom": -4.483666355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.93466542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.279000Z",
"spacegroup": 63
},
{
"id": "mp-11401",
"created_at": "2022-09-04T14:44:14.828846Z",
"structure_string": "Sc2 Ga4 Ni2\n1.0\n2.025963 -4.792120 0.000000\n2.025963 4.792120 0.000000\n0.000000 0.000000 6.470562\nSc Ga Ni\n2 4 2\ndirect\n0.924561 0.075439 0.250000 Sc\n0.075439 0.924561 0.750000 Sc\n0.637142 0.362858 0.450613 Ga\n0.362858 0.637142 0.549387 Ga\n0.362858 0.637142 0.950613 Ga\n0.637142 0.362858 0.049387 Ga\n0.205812 0.794188 0.250000 Ni\n0.794188 0.205812 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sc",
"density": 6.425759750960287,
"density_atomic": 0.06367351045189748,
"volume": 125.64094461296658,
"volume_molar": 9.457843170983105,
"formula_full": "Sc2 Ga4 Ni2",
"formula_reduced": "ScGa2Ni",
"formula_anonymous": "ABC2",
"energy": -41.50770452,
"energy_per_atom": -5.188463065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.50770452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005193,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.405000Z",
"spacegroup": 63
},
{
"id": "mp-11400",
"created_at": "2022-09-04T14:43:05.692772Z",
"structure_string": "Sc1 Ga1 Ni2\n1.0\n0.000000 3.021256 3.021256\n3.021256 0.000000 3.021256\n3.021256 3.021256 0.000000\nSc Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sc",
"density": 6.986626097054527,
"density_atomic": 0.0725216068257284,
"volume": 55.1559759233151,
"volume_molar": 8.303926269134362,
"formula_full": "Sc1 Ga1 Ni2",
"formula_reduced": "ScGaNi2",
"formula_anonymous": "ABC2",
"energy": -23.201375,
"energy_per_atom": -5.80034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.201375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.33e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.562000Z",
"spacegroup": 225
},
{
"id": "mp-1140",
"created_at": "2022-09-04T14:40:32.139048Z",
"structure_string": "Nd1 Cu5\n1.0\n2.556202 -4.427472 0.000000\n2.556202 4.427472 0.000000\n0.000000 0.000000 4.101170\nNd Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Cu"
],
"chemical_system": "Cu-Nd",
"density": 8.263727547431548,
"density_atomic": 0.06463421658904028,
"volume": 92.83008778692913,
"volume_molar": 9.317264256934068,
"formula_full": "Nd1 Cu5",
"formula_reduced": "NdCu5",
"formula_anonymous": "AB5",
"energy": -26.2120878,
"energy_per_atom": -4.3686812999999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.2120878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0168446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.666000Z",
"spacegroup": 191
},
{
"id": "mp-114",
"created_at": "2022-09-04T14:44:17.216199Z",
"structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 14.76070055473347,
"density_atomic": 0.036430744462104044,
"volume": 27.449342986669382,
"volume_molar": 16.530380723524182,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.99062127,
"energy_per_atom": -13.99062127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99062127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7357689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.375000Z",
"spacegroup": 225
},
{
"id": "mp-1139958",
"created_at": "2022-09-04T14:47:03.380184Z",
"structure_string": "Li4 Y4 Tl8 Cl24\n1.0\n10.380161 0.000000 0.000000\n0.000000 10.380161 0.000000\n-0.000000 -0.000000 10.380161\nLi Y Tl Cl\n4 4 8 24\ndirect\n0.500000 0.000000 -0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 -0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.250000 0.250000 0.250000 Tl\n0.250000 0.250000 0.750000 Tl\n0.250000 0.750000 0.750000 Tl\n0.250000 0.750000 0.250000 Tl\n0.750000 0.250000 0.750000 Tl\n0.750000 0.250000 0.250000 Tl\n0.750000 0.750000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.246865 -0.000000 Cl\n0.500000 0.000000 0.246865 Cl\n0.253135 0.000000 -0.000000 Cl\n0.000000 0.253135 -0.000000 Cl\n0.500000 0.000000 0.753135 Cl\n0.746865 0.000000 -0.000000 Cl\n0.500000 0.746865 0.500000 Cl\n0.500000 0.500000 0.746865 Cl\n0.253135 0.500000 0.500000 Cl\n0.000000 0.753135 0.500000 Cl\n0.500000 0.500000 0.253135 Cl\n0.746865 0.500000 0.500000 Cl\n0.000000 0.246865 0.500000 Cl\n0.000000 0.000000 0.746865 Cl\n0.753135 0.000000 0.500000 Cl\n0.500000 0.253135 0.500000 Cl\n0.000000 0.000000 0.253135 Cl\n0.246865 0.000000 0.500000 Cl\n0.000000 0.746865 -0.000000 Cl\n0.000000 0.500000 0.246865 Cl\n0.753135 0.500000 -0.000000 Cl\n0.500000 0.753135 -0.000000 Cl\n0.000000 0.500000 0.753135 Cl\n0.246865 0.500000 -0.000000 Cl\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Y",
"Tl",
"Cl"
],
"chemical_system": "Cl-Li-Tl-Y",
"density": 4.260069574494604,
"density_atomic": 0.03576413474393956,
"volume": 1118.438913352384,
"volume_molar": 16.83849141917375,
"formula_full": "Li4 Y4 Tl8 Cl24",
"formula_reduced": "LiY(TlCl3)2",
"formula_anonymous": "ABC2D6",
"energy": -178.91032059999998,
"energy_per_atom": -4.472758014999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.1743206,
"band_gap": 4.5505,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.845000Z",
"spacegroup": 225
},
{
"id": "mp-1139957",
"created_at": "2022-09-04T14:43:52.997144Z",
"structure_string": "Li4 Y4 Tl8 Cl24\n1.0\n10.268337 0.006111 -0.000113\n0.006309 10.592694 0.001312\n-0.000112 0.001266 10.238619\nLi Y Tl Cl\n4 4 8 24\ndirect\n0.500065 0.000123 0.999910 Li\n0.499901 0.500160 0.500320 Li\n0.999983 0.000005 0.500065 Li\n0.999998 0.499928 0.000004 Li\n0.999967 0.000036 0.000078 Y\n0.999962 0.499907 0.500113 Y\n0.499859 0.000192 0.500238 Y\n0.500059 0.500288 0.999874 Y\n0.240113 0.245295 0.249875 Tl\n0.254767 0.246187 0.751671 Tl\n0.240005 0.744948 0.749886 Tl\n0.254537 0.746761 0.251093 Tl\n0.745381 0.253208 0.749185 Tl\n0.758969 0.255549 0.250566 Tl\n0.744586 0.753940 0.249038 Tl\n0.760291 0.754925 0.750463 Tl\n0.501914 0.251374 0.970865 Cl\n0.550052 0.024749 0.247724 Cl\n0.252767 0.000739 0.050907 Cl\n0.999603 0.249738 0.002440 Cl\n0.449298 0.975817 0.752638 Cl\n0.747140 0.999629 0.949000 Cl\n0.500010 0.751290 0.471294 Cl\n0.550580 0.525022 0.747554 Cl\n0.252715 0.499419 0.551337 Cl\n0.000496 0.749644 0.502849 Cl\n0.449734 0.475391 0.252299 Cl\n0.747148 0.500885 0.449011 Cl\n0.998922 0.250253 0.497509 Cl\n0.050570 0.000009 0.746805 Cl\n0.752427 0.999429 0.551307 Cl\n0.499356 0.249077 0.529312 Cl\n0.948875 0.999896 0.253145 Cl\n0.247285 0.000932 0.449003 Cl\n0.000078 0.750312 0.997637 Cl\n0.050995 0.500195 0.246902 Cl\n0.752554 0.500759 0.051365 Cl\n0.497925 0.749155 0.029124 Cl\n0.949184 0.499664 0.753346 Cl\n0.247483 0.499783 0.948646 Cl\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Y",
"Tl",
"Cl"
],
"chemical_system": "Cl-Li-Tl-Y",
"density": 4.278398162381802,
"density_atomic": 0.035918006899171115,
"volume": 1113.6475393049463,
"volume_molar": 16.766355596805045,
"formula_full": "Li4 Y4 Tl8 Cl24",
"formula_reduced": "LiY(TlCl3)2",
"formula_anonymous": "ABC2D6",
"energy": -179.35828138,
"energy_per_atom": -4.4839570344999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.62228138,
"band_gap": 4.4393,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.274000Z",
"spacegroup": 2
},
{
"id": "mp-11398",
"created_at": "2022-09-04T14:45:07.593322Z",
"structure_string": "Ga3 Ni5\n1.0\n3.401075 -3.751223 0.000000\n3.401075 3.751223 0.000000\n0.000000 0.000000 3.715908\nGa Ni\n3 5\ndirect\n0.000000 0.000000 0.000000 Ga\n0.719821 0.280179 0.500000 Ga\n0.280179 0.719821 0.500000 Ga\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.772356 0.772356 0.500000 Ni\n0.227644 0.227644 0.500000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.8027556717602,
"density_atomic": 0.08437347702838302,
"volume": 94.81652625633551,
"volume_molar": 7.137480843623604,
"formula_full": "Ga3 Ni5",
"formula_reduced": "Ga3Ni5",
"formula_anonymous": "A3B5",
"energy": -40.99023459,
"energy_per_atom": -5.12377932375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.99023459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.439000Z",
"spacegroup": 65
},
{
"id": "mp-11397",
"created_at": "2022-09-04T14:40:53.980158Z",
"structure_string": "Ga3 Ni2\n1.0\n2.044506 -3.541188 0.000000\n2.044506 3.541188 0.000000\n0.000000 0.000000 4.874597\nGa Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.361744 Ga\n0.333333 0.666667 0.638256 Ga\n0.666667 0.333333 0.863631 Ni\n0.333333 0.666667 0.136369 Ni\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 7.682461869291549,
"density_atomic": 0.07083761301467402,
"volume": 70.58397067902682,
"volume_molar": 8.501332136576245,
"formula_full": "Ga3 Ni2",
"formula_reduced": "Ga3Ni2",
"formula_anonymous": "A2B3",
"energy": -22.685893310000004,
"energy_per_atom": -4.5371786620000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.685893310000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005687,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.172000Z",
"spacegroup": 164
},
{
"id": "mp-11396",
"created_at": "2022-09-04T14:46:55.569723Z",
"structure_string": "Nd2 Ga4 Ni2\n1.0\n2.103820 -8.773459 0.000000\n2.103820 8.773459 0.000000\n0.000000 0.000000 4.175766\nNd Ga Ni\n2 4 2\ndirect\n0.141735 0.858265 0.000000 Nd\n0.858265 0.141735 0.000000 Nd\n0.000000 0.000000 0.500000 Ga\n0.290853 0.709147 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.709147 0.290853 0.500000 Ga\n0.426905 0.573095 0.500000 Ni\n0.573095 0.426905 0.500000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Ni"
],
"chemical_system": "Ga-Nd-Ni",
"density": 7.376386710719399,
"density_atomic": 0.051897257371453925,
"volume": 154.1507279034055,
"volume_molar": 11.603967271134595,
"formula_full": "Nd2 Ga4 Ni2",
"formula_reduced": "NdGa2Ni",
"formula_anonymous": "ABC2",
"energy": -38.19587339,
"energy_per_atom": -4.77448417375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.19587339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.929000Z",
"spacegroup": 65
},
{
"id": "mp-11393",
"created_at": "2022-09-04T14:39:57.912962Z",
"structure_string": "Nb6 Ga4\n1.0\n6.952520 0.000000 0.000000\n0.000000 6.952520 0.000000\n0.000000 0.000000 3.530963\nNb Ga\n6 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.675465 0.175465 0.500000 Nb\n0.175465 0.324535 0.500000 Nb\n0.824535 0.675465 0.500000 Nb\n0.324535 0.824535 0.500000 Nb\n0.873950 0.373950 0.000000 Ga\n0.373950 0.126050 0.000000 Ga\n0.626050 0.873950 0.000000 Ga\n0.126050 0.626050 0.000000 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 8.13671787756433,
"density_atomic": 0.058589843715851526,
"volume": 170.67804530249143,
"volume_molar": 10.278472134532601,
"formula_full": "Nb6 Ga4",
"formula_reduced": "Nb3Ga2",
"formula_anonymous": "A2B3",
"energy": -76.35239219,
"energy_per_atom": -7.635239219000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.35239219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042459,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.099000Z",
"spacegroup": 127
}
]
}