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=-is_stable&page=12152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12150",
"results": [
{
"id": "mp-31355",
"created_at": "2022-09-04T14:48:29.763827Z",
"structure_string": "Sr12 Tl8 O24\n1.0\n3.528597 0.000000 0.000000\n0.000000 12.022799 0.000000\n0.000000 0.000000 17.232869\nSr Tl O\n12 8 24\ndirect\n0.500000 0.096347 0.853828 Sr\n0.500000 0.903653 0.146172 Sr\n0.500000 0.596347 0.646172 Sr\n0.500000 0.403653 0.353828 Sr\n0.500000 0.367098 0.958955 Sr\n0.500000 0.632902 0.041045 Sr\n0.500000 0.867098 0.541045 Sr\n0.500000 0.132902 0.458955 Sr\n0.500000 0.325261 0.725581 Sr\n0.500000 0.674739 0.274419 Sr\n0.500000 0.825261 0.774419 Sr\n0.500000 0.174739 0.225581 Sr\n0.000000 0.408860 0.147322 Tl\n0.000000 0.591140 0.852678 Tl\n0.000000 0.908860 0.352678 Tl\n0.000000 0.091140 0.647322 Tl\n0.000000 0.368146 0.542316 Tl\n0.000000 0.631854 0.457684 Tl\n0.000000 0.868146 0.957684 Tl\n0.000000 0.131854 0.042316 Tl\n0.000000 0.186214 0.761284 O\n0.000000 0.813786 0.238716 O\n0.000000 0.686214 0.738716 O\n0.000000 0.313786 0.261284 O\n0.500000 0.472845 0.830299 O\n0.500000 0.527155 0.169701 O\n0.500000 0.972845 0.669701 O\n0.500000 0.027155 0.330299 O\n0.500000 0.213040 0.596481 O\n0.500000 0.786960 0.403519 O\n0.500000 0.713040 0.903519 O\n0.500000 0.286960 0.096481 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.213019 0.934420 O\n0.000000 0.786981 0.065580 O\n0.000000 0.713019 0.565580 O\n0.000000 0.286981 0.434420 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.061287 0.153812 O\n0.000000 0.938713 0.846188 O\n0.000000 0.561287 0.346188 O\n0.000000 0.438713 0.653812 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"O"
],
"chemical_system": "O-Sr-Tl",
"density": 6.974158832244059,
"density_atomic": 0.06018488607477046,
"volume": 731.0805564263554,
"volume_molar": 10.006068222042352,
"formula_full": "Sr12 Tl8 O24",
"formula_reduced": "Sr3Tl2O6",
"formula_anonymous": "A2B3C6",
"energy": -255.86729243,
"energy_per_atom": -5.815165737045454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.37929243,
"band_gap": 0.7726000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:49.313000Z",
"spacegroup": 55
},
{
"id": "mp-1034572",
"created_at": "2022-09-04T14:48:29.767506Z",
"structure_string": "Mg14 V1 Sn1 O16\n1.0\n8.671409 0.000000 0.000000\n0.000000 8.736226 0.000000\n0.000000 0.000000 4.367023\nMg V Sn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.242214 0.500000 Mg\n0.000000 0.757786 0.500000 Mg\n0.500000 0.248375 0.500000 Mg\n0.500000 0.751625 0.500000 Mg\n0.251815 0.000000 0.500000 Mg\n0.259147 0.500000 0.500000 Mg\n0.748185 0.000000 0.500000 Mg\n0.740853 0.500000 0.500000 Mg\n0.254980 0.246030 0.000000 Mg\n0.254980 0.753970 0.000000 Mg\n0.745020 0.246030 0.000000 Mg\n0.745020 0.753970 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Sn\n0.256721 0.000000 0.000000 O\n0.272712 0.500000 0.000000 O\n0.743279 0.000000 0.000000 O\n0.727288 0.500000 0.000000 O\n0.249712 0.249409 0.500000 O\n0.249712 0.750591 0.500000 O\n0.750288 0.249409 0.500000 O\n0.750288 0.750591 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.235927 0.000000 O\n0.000000 0.764073 0.000000 O\n0.500000 0.245390 0.000000 O\n0.500000 0.754610 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"V",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-V",
"density": 3.844402970844978,
"density_atomic": 0.09672772374615435,
"volume": 330.82552509949085,
"volume_molar": 6.225868372343896,
"formula_full": "Mg14 V1 Sn1 O16",
"formula_reduced": "Mg14VSnO16",
"formula_anonymous": "ABC14D16",
"energy": -203.88092344,
"energy_per_atom": -6.3712788575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.18892344,
"band_gap": 0.405899999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.306000Z",
"spacegroup": 47
},
{
"id": "mp-756028",
"created_at": "2022-09-04T14:48:29.768997Z",
"structure_string": "V6 O7 F5\n1.0\n-4.727116 0.000000 0.000000\n0.140403 5.603324 0.000000\n-0.012406 -0.595124 -7.729756\nV O F\n6 7 5\ndirect\n0.485213 0.846103 0.327423 V\n0.541638 0.485453 0.993498 V\n0.454518 0.188498 0.678142 V\n0.010675 0.318282 0.327917 V\n0.013856 0.661471 0.661883 V\n0.990969 0.003591 0.014618 V\n0.198881 0.373815 0.560498 O\n0.197542 0.035315 0.239332 O\n0.291770 0.196103 0.896232 O\n0.310772 0.881261 0.573039 O\n0.701418 0.455352 0.750615 O\n0.694970 0.795456 0.102816 O\n0.801140 0.299223 0.108827 O\n0.200913 0.695448 0.901798 F\n0.304970 0.531912 0.223618 F\n0.695372 0.137271 0.444370 F\n0.800758 0.963967 0.769816 F\n0.804622 0.631479 0.425557 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.157680475516216,
"density_atomic": 0.08791535315943255,
"volume": 204.7423954193461,
"volume_molar": 6.849930693082675,
"formula_full": "V6 O7 F5",
"formula_reduced": "V6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -148.25349464,
"energy_per_atom": -8.23630525777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.93449464,
"band_gap": 0.5392000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.796000Z",
"spacegroup": 1
},
{
"id": "mp-20582",
"created_at": "2022-09-04T14:48:29.771150Z",
"structure_string": "La1 In1\n1.0\n3.961764 0.000000 0.000000\n0.000000 3.961764 0.000000\n0.000000 0.000000 3.961764\nLa In\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"In"
],
"chemical_system": "In-La",
"density": 6.775540348723317,
"density_atomic": 0.03216356588467912,
"volume": 62.18215999963752,
"volume_molar": 18.723486013932934,
"formula_full": "La1 In1",
"formula_reduced": "LaIn",
"formula_anonymous": "AB",
"energy": -8.69761375,
"energy_per_atom": -4.348806875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.69761375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:51.198000Z",
"spacegroup": 221
},
{
"id": "mp-1096370",
"created_at": "2022-09-04T14:48:29.782147Z",
"structure_string": "Li1 Ge2 Ir1\n1.0\n-4.915141 5.167609 7.189573\n4.915141 -5.167609 7.189573\n4.915141 5.167609 -7.189573\nLi Ge Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.264864 0.264864 Ge\n0.000000 0.735136 0.735136 Ge\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Li",
"density": 0.7830174494994835,
"density_atomic": 0.005476098804489211,
"volume": 730.4470103280221,
"volume_molar": 109.97136784791307,
"formula_full": "Li1 Ge2 Ir1",
"formula_reduced": "LiGe2Ir",
"formula_anonymous": "ABC2",
"energy": -12.56204756,
"energy_per_atom": -3.14051189,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.56204756,
"band_gap": 0.0450999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5724827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.593000Z",
"spacegroup": 71
},
{
"id": "mp-1105617",
"created_at": "2022-09-04T14:48:29.783677Z",
"structure_string": "Tc4 B16\n1.0\n2.655786 -4.599956 0.000000\n2.655786 4.599956 0.000000\n0.000000 0.000000 6.463218\nTc B\n4 16\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n0.000000 0.000000 0.250000 Tc\n0.000000 0.000000 0.750000 Tc\n0.336073 0.336073 0.500000 B\n0.663927 0.000000 0.500000 B\n0.000000 0.663927 0.500000 B\n0.663927 0.663927 0.500000 B\n0.000000 0.336073 0.500000 B\n0.336073 0.000000 0.500000 B\n0.663927 0.663927 0.000000 B\n0.336073 0.000000 0.000000 B\n0.000000 0.336073 0.000000 B\n0.336073 0.336073 0.000000 B\n0.000000 0.663927 0.000000 B\n0.663927 0.000000 0.000000 B\n0.333333 0.666667 0.881822 B\n0.666667 0.333333 0.118178 B\n0.666667 0.333333 0.381822 B\n0.333333 0.666667 0.618178 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 5.940917780182451,
"density_atomic": 0.12664978026751308,
"volume": 157.9157891767002,
"volume_molar": 4.754955553242866,
"formula_full": "Tc4 B16",
"formula_reduced": "TcB4",
"formula_anonymous": "AB4",
"energy": -140.96041829,
"energy_per_atom": -7.0480209145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.96041829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.904904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:51.651000Z",
"spacegroup": 194
},
{
"id": "mp-1008500",
"created_at": "2022-09-04T14:48:29.909612Z",
"structure_string": "Ba2 O2\n1.0\n1.924676 -3.333636 0.000000\n1.924676 3.333636 0.000000\n0.000000 0.000000 6.695042\nBa O\n2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"O"
],
"chemical_system": "Ba-O",
"density": 5.927027226403604,
"density_atomic": 0.046558703860639476,
"volume": 85.913044572136,
"volume_molar": 12.934511188338925,
"formula_full": "Ba2 O2",
"formula_reduced": "BaO",
"formula_anonymous": "AB",
"energy": -24.92538029,
"energy_per_atom": -6.2313450725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.55138029,
"band_gap": 2.3602000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:43.384000Z",
"spacegroup": 194
},
{
"id": "mp-1207611",
"created_at": "2022-09-04T14:48:29.961810Z",
"structure_string": "Y1 S1 I1\n1.0\n2.271867 -3.934989 0.000000\n2.271867 3.934989 0.000000\n0.000000 0.000000 5.142577\nY S I\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Y\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.500000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"S",
"I"
],
"chemical_system": "I-S-Y",
"density": 4.476567739718408,
"density_atomic": 0.0326275174062213,
"volume": 91.94692819098674,
"volume_molar": 18.457244800524478,
"formula_full": "Y1 S1 I1",
"formula_reduced": "YSI",
"formula_anonymous": "ABC",
"energy": -17.39764813,
"energy_per_atom": -5.799216043333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.51564813,
"band_gap": 1.0646999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:53.676000Z",
"spacegroup": 187
},
{
"id": "mp-13270",
"created_at": "2022-09-04T14:48:30.015387Z",
"structure_string": "Ca2 Ag4\n1.0\n-2.359306 3.673009 4.137628\n2.359306 -3.673009 4.137628\n2.359306 3.673009 -4.137628\nCa Ag\n2 4\ndirect\n0.297366 0.547366 0.750000 Ca\n0.702634 0.452634 0.250000 Ca\n0.287726 0.838441 0.449285 Ag\n0.712274 0.161559 0.550715 Ag\n0.110844 0.161559 0.949285 Ag\n0.889156 0.838441 0.050715 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 5.923608976890817,
"density_atomic": 0.04183440073549086,
"volume": 143.42263530764066,
"volume_molar": 14.3951882998793,
"formula_full": "Ca2 Ag4",
"formula_reduced": "CaAg2",
"formula_anonymous": "AB2",
"energy": -17.1117213,
"energy_per_atom": -2.8519535499999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.1117213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:47.737000Z",
"spacegroup": 74
},
{
"id": "mp-1223969",
"created_at": "2022-09-04T14:48:30.026852Z",
"structure_string": "Hg1 Pb2\n1.0\n1.806997 3.007693 0.000000\n-1.806997 3.007693 0.000000\n0.000000 1.069543 8.500357\nHg Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.664657 0.664657 0.667998 Pb\n0.335343 0.335343 0.332002 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb",
"density": 11.052462588233434,
"density_atomic": 0.03246856963884479,
"volume": 92.39704838770773,
"volume_molar": 18.5476010399769,
"formula_full": "Hg1 Pb2",
"formula_reduced": "HgPb2",
"formula_anonymous": "AB2",
"energy": -7.629972440000001,
"energy_per_atom": -2.543324146666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.629972440000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.109000Z",
"spacegroup": 12
},
{
"id": "mp-1258028",
"created_at": "2022-09-04T14:48:30.029354Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.192117 0.150933 1.229805\n1.486108 6.525717 0.519079\n0.213421 -0.129715 6.706872\nZn Si Ni O\n2 4 2 12\ndirect\n0.749901 0.236847 0.763284 Zn\n0.250113 0.763272 0.236889 Zn\n0.233875 0.218393 0.388403 Si\n0.266154 0.611601 0.781600 Si\n0.733793 0.388368 0.218441 Si\n0.766068 0.781627 0.611579 Si\n0.750356 0.901107 0.098453 Ni\n0.249934 0.098702 0.901367 Ni\n0.474704 0.330505 0.384125 O\n0.025086 0.615974 0.669652 O\n0.525161 0.669581 0.615834 O\n0.974771 0.383998 0.330419 O\n0.128824 0.138087 0.622198 O\n0.371014 0.377870 0.861975 O\n0.871052 0.861965 0.377732 O\n0.628881 0.622134 0.137985 O\n0.852092 0.205921 0.040299 O\n0.647848 0.959813 0.794026 O\n0.352289 0.040203 0.205974 O\n0.148081 0.794034 0.959768 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.0931875587196025,
"density_atomic": 0.08922347518334846,
"volume": 224.15625438149877,
"volume_molar": 6.749502580598762,
"formula_full": "Zn2 Si4 Ni2 O12",
"formula_reduced": "ZnSi2NiO6",
"formula_anonymous": "ABC2D6",
"energy": -146.12404789,
"energy_per_atom": -7.3062023945000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.79804789,
"band_gap": 3.9418,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:40.693000Z",
"spacegroup": 15
},
{
"id": "mp-765564",
"created_at": "2022-09-04T14:48:30.048823Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n6.451131 3.941688 0.000000\n-6.451131 3.941688 0.000000\n0.000000 0.460134 10.949987\nLi Ni P O\n8 4 8 28\ndirect\n0.718917 0.295105 0.998240 Li\n0.295105 0.718917 0.498240 Li\n0.715737 0.284263 0.750000 Li\n0.293320 0.706680 0.750000 Li\n0.706680 0.293320 0.250000 Li\n0.284263 0.715737 0.250000 Li\n0.704895 0.281083 0.501760 Li\n0.281083 0.704895 0.001760 Li\n0.697027 0.695923 0.887084 Ni\n0.695923 0.697027 0.387084 Ni\n0.304077 0.302973 0.612916 Ni\n0.302973 0.304077 0.112916 Ni\n0.702836 0.914806 0.632299 P\n0.914806 0.702836 0.132299 P\n0.909341 0.681734 0.633952 P\n0.681734 0.909341 0.133952 P\n0.318266 0.090659 0.866048 P\n0.090659 0.318266 0.366048 P\n0.085194 0.297164 0.867701 P\n0.297164 0.085194 0.367701 P\n0.913645 0.901421 0.627441 O\n0.901421 0.913645 0.127441 O\n0.585426 0.803183 0.520501 O\n0.803183 0.585426 0.020501 O\n0.802247 0.579513 0.756543 O\n0.579513 0.802247 0.256543 O\n0.591859 0.802976 0.751858 O\n0.802976 0.591859 0.251858 O\n0.781949 0.568887 0.525426 O\n0.568887 0.781949 0.025426 O\n0.281499 0.878150 0.873601 O\n0.878150 0.281499 0.373601 O\n0.867488 0.242375 0.873637 O\n0.242375 0.867488 0.373637 O\n0.757625 0.132512 0.626363 O\n0.132512 0.757625 0.126363 O\n0.121850 0.718501 0.626399 O\n0.718501 0.121850 0.126399 O\n0.431113 0.218051 0.974574 O\n0.218051 0.431113 0.474574 O\n0.197024 0.408141 0.748142 O\n0.408141 0.197024 0.248142 O\n0.420487 0.197753 0.743457 O\n0.197753 0.420487 0.243457 O\n0.196817 0.414574 0.979499 O\n0.414574 0.196817 0.479499 O\n0.098579 0.086355 0.872559 O\n0.086355 0.098579 0.372559 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.9403382562541123,
"density_atomic": 0.08619449547675456,
"volume": 556.8801085789164,
"volume_molar": 6.986688333971497,
"formula_full": "Li8 Ni4 P8 O28",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -337.61956085,
"energy_per_atom": -7.033740851041667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.21956085,
"band_gap": 2.4723,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.748000Z",
"spacegroup": 15
}
]
}