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=-total_magnetization&page=10155",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10153",
"results": [
{
"id": "mp-1186218",
"created_at": "2022-09-04T14:39:05.916407Z",
"structure_string": "Nb3 Os1\n1.0\n0.000000 3.242228 3.242228\n3.242228 0.000000 3.242228\n3.242228 3.242228 0.000000\nNb Os\n3 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Os"
],
"chemical_system": "Nb-Os",
"density": 11.423894649291636,
"density_atomic": 0.058681247718436684,
"volume": 68.16487643876846,
"volume_molar": 10.262462020056779,
"formula_full": "Nb3 Os1",
"formula_reduced": "Nb3Os",
"formula_anonymous": "AB3",
"energy": -42.46384997,
"energy_per_atom": -10.6159624925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.46384997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.856000Z",
"spacegroup": 225
},
{
"id": "mp-684991",
"created_at": "2022-09-04T14:44:22.005465Z",
"structure_string": "Na2 Ca2 Sc2 Zn2 Si8 O24\n1.0\n9.106773 0.000000 0.000000\n0.000000 5.360913 0.000000\n0.000000 2.558416 9.557819\nNa Ca Sc Zn Si O\n2 2 2 2 8 24\ndirect\n0.552873 0.000000 0.750000 Na\n0.447127 0.000000 0.250000 Na\n0.049537 0.500000 0.250000 Ca\n0.950463 0.500000 0.750000 Ca\n0.646379 0.500000 0.250000 Sc\n0.353621 0.500000 0.750000 Sc\n0.151624 0.000000 0.750000 Zn\n0.848376 0.000000 0.250000 Zn\n0.840724 0.197472 0.539169 Si\n0.840724 0.802528 0.960831 Si\n0.339273 0.700013 0.036816 Si\n0.159276 0.197472 0.039169 Si\n0.339273 0.299987 0.463184 Si\n0.159276 0.802528 0.460831 Si\n0.660727 0.700013 0.536816 Si\n0.660727 0.299987 0.963184 Si\n0.766498 0.095458 0.902241 O\n0.997374 0.209196 0.612357 O\n0.835927 0.283156 0.367888 O\n0.260273 0.589964 0.400378 O\n0.835927 0.716844 0.132112 O\n0.497061 0.700221 0.110110 O\n0.233502 0.095458 0.402241 O\n0.997374 0.790804 0.887643 O\n0.334653 0.775999 0.866909 O\n0.002626 0.209196 0.112357 O\n0.766498 0.904542 0.597759 O\n0.164073 0.283156 0.867888 O\n0.334653 0.224001 0.633091 O\n0.739727 0.589964 0.900378 O\n0.497061 0.299779 0.389890 O\n0.164073 0.716844 0.632112 O\n0.502939 0.700221 0.610110 O\n0.260273 0.410036 0.099622 O\n0.002626 0.790804 0.387643 O\n0.665347 0.775999 0.366909 O\n0.233502 0.904542 0.097759 O\n0.665347 0.224001 0.133091 O\n0.502939 0.299779 0.889890 O\n0.739727 0.410036 0.599622 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Sc",
"Zn",
"Si",
"O"
],
"chemical_system": "Ca-Na-O-Sc-Si-Zn",
"density": 3.400428185754068,
"density_atomic": 0.08572311004129601,
"volume": 466.61862805409777,
"volume_molar": 7.025107648449654,
"formula_full": "Na2 Ca2 Sc2 Zn2 Si8 O24",
"formula_reduced": "NaCaScZn(SiO3)4",
"formula_anonymous": "ABCDE4F12",
"energy": -311.05566979,
"energy_per_atom": -7.776391744750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.56766979,
"band_gap": 4.549300000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.192000Z",
"spacegroup": 13
},
{
"id": "mp-1246610",
"created_at": "2022-09-04T14:39:15.180961Z",
"structure_string": "K1 In1 N1\n1.0\n3.043302 2.363580 1.731236\n2.123302 0.009039 -3.842094\n-2.123302 3.660388 -1.167615\nK In N\n1 1 1\ndirect\n0.764626 0.740936 0.759064 K\n0.264719 0.241004 0.258996 In\n0.764655 0.241061 0.258939 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"In",
"N"
],
"chemical_system": "In-K-N",
"density": 3.425678460942332,
"density_atomic": 0.03685603145029116,
"volume": 81.39780334315674,
"volume_molar": 16.339634309576283,
"formula_full": "K1 In1 N1",
"formula_reduced": "KInN",
"formula_anonymous": "ABC",
"energy": -11.34147047,
"energy_per_atom": -3.780490156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.98047047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.817000Z",
"spacegroup": 123
},
{
"id": "mp-1218141",
"created_at": "2022-09-04T14:40:02.570261Z",
"structure_string": "Ta2 O5\n1.0\n-0.156866 3.397157 -0.005157\n-0.030996 -0.003641 3.860131\n8.205895 -0.321759 -0.041244\nTa O\n2 5\ndirect\n0.907262 0.008562 0.980151 Ta\n0.511287 0.996231 0.538261 Ta\n0.992122 0.506614 0.958132 O\n0.493677 0.493482 0.547910 O\n0.472474 0.008580 0.101431 O\n0.982889 0.986187 0.430121 O\n0.580289 0.000344 0.773994 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 6.831685894755988,
"density_atomic": 0.06517183461068989,
"volume": 107.40836193756338,
"volume_molar": 9.24040391984333,
"formula_full": "Ta2 O5",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy": -70.81312701,
"energy_per_atom": -10.116161001428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.37812701,
"band_gap": 2.5913000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.376000Z",
"spacegroup": 1
},
{
"id": "mp-569819",
"created_at": "2022-09-04T14:48:09.166858Z",
"structure_string": "Th14 Os6\n1.0\n5.016957 -8.689624 0.000000\n5.016957 8.689624 0.000000\n0.000000 0.000000 6.347595\nTh Os\n14 6\ndirect\n0.460488 0.539512 0.300301 Th\n0.079024 0.539512 0.300301 Th\n0.920976 0.460488 0.800301 Th\n0.252486 0.126243 0.501431 Th\n0.539512 0.079024 0.800301 Th\n0.747514 0.873757 0.001431 Th\n0.666667 0.333333 0.285954 Th\n0.126243 0.873757 0.001431 Th\n0.460488 0.920976 0.300301 Th\n0.539512 0.460488 0.800301 Th\n0.873757 0.126243 0.501431 Th\n0.126243 0.252486 0.001431 Th\n0.873757 0.747514 0.501431 Th\n0.333333 0.666667 0.785954 Th\n0.812642 0.625284 0.050283 Os\n0.812642 0.187358 0.050283 Os\n0.625284 0.812642 0.550283 Os\n0.374716 0.187358 0.050283 Os\n0.187358 0.374716 0.550283 Os\n0.187358 0.812642 0.550283 Os\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Th",
"Os"
],
"chemical_system": "Os-Th",
"density": 13.171172156879535,
"density_atomic": 0.036136777936726504,
"volume": 553.452774207454,
"volume_molar": 16.66485255144893,
"formula_full": "Th14 Os6",
"formula_reduced": "Th7Os3",
"formula_anonymous": "A3B7",
"energy": -177.86702483,
"energy_per_atom": -8.8933512415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.86702483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.171000Z",
"spacegroup": 186
},
{
"id": "mp-1013544",
"created_at": "2022-09-04T14:40:33.344250Z",
"structure_string": "Ca3 Sb1 As1\n1.0\n5.490000 0.000000 0.000000\n0.000000 5.490000 0.000000\n0.000000 0.000000 5.490000\nCa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"As"
],
"chemical_system": "As-Ca-Sb",
"density": 3.1803555997920734,
"density_atomic": 0.030217113161076326,
"volume": 165.46914900000002,
"volume_molar": 19.929570134308264,
"formula_full": "Ca3 Sb1 As1",
"formula_reduced": "Ca3SbAs",
"formula_anonymous": "ABC3",
"energy": -19.55164733,
"energy_per_atom": -3.9103294660000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.35964733,
"band_gap": 0.4005999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.206000Z",
"spacegroup": 221
},
{
"id": "mp-30291",
"created_at": "2022-09-04T14:44:11.682665Z",
"structure_string": "Tb4 Se3 N2\n1.0\n1.976445 6.700628 0.000000\n-1.976445 6.700628 0.000000\n0.000000 6.631663 7.973129\nTb Se N\n4 3 2\ndirect\n0.442253 0.442253 0.848983 Tb\n0.557747 0.557747 0.151017 Tb\n0.755949 0.755949 0.360630 Tb\n0.244051 0.244051 0.639370 Tb\n0.834773 0.834773 0.771862 Se\n0.000000 0.000000 0.000000 Se\n0.165227 0.165227 0.228138 Se\n0.351153 0.351153 0.362233 N\n0.648847 0.648847 0.637768 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Se",
"N"
],
"chemical_system": "N-Se-Tb",
"density": 7.081406167305011,
"density_atomic": 0.04261705959181881,
"volume": 211.1830352962157,
"volume_molar": 14.130821829753991,
"formula_full": "Tb4 Se3 N2",
"formula_reduced": "Tb4Se3N2",
"formula_anonymous": "A2B3C4",
"energy": -64.22928041,
"energy_per_atom": -7.136586712222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.09128041,
"band_gap": 1.3453,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.095000Z",
"spacegroup": 12
},
{
"id": "mp-1522104",
"created_at": "2022-09-04T14:47:24.518012Z",
"structure_string": "K1 La1 Zr1 Nb1 O6\n1.0\n0.000000 -4.131029 -4.131029\n4.131029 0.000000 -4.131029\n4.131029 -4.131029 0.000000\nK La Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Nb\n0.754478 0.245522 0.245522 O\n0.245522 0.754478 0.754478 O\n0.754478 0.245522 0.754478 O\n0.245522 0.754478 0.245522 O\n0.754478 0.754478 0.245522 O\n0.245522 0.245522 0.754478 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Zr",
"Nb",
"O"
],
"chemical_system": "K-La-Nb-O-Zr",
"density": 5.395523939376223,
"density_atomic": 0.07092433510077438,
"volume": 140.99532954085905,
"volume_molar": 8.490937209976394,
"formula_full": "K1 La1 Zr1 Nb1 O6",
"formula_reduced": "KLaZrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -86.78422103,
"energy_per_atom": -8.678422102999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.66222103000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.950000Z",
"spacegroup": 216
},
{
"id": "mp-1213286",
"created_at": "2022-09-04T14:48:18.154737Z",
"structure_string": "Dy12 Co4 Sn2\n1.0\n-4.675533 4.840325 4.990635\n4.675533 -4.840325 4.990635\n4.675533 4.840325 -4.990635\nDy Co Sn\n12 4 2\ndirect\n0.443593 0.233851 0.209742 Dy\n0.556407 0.766149 0.790258 Dy\n0.024108 0.233851 0.790258 Dy\n0.975892 0.766149 0.209742 Dy\n0.185396 0.285694 0.471090 Dy\n0.814604 0.714306 0.528910 Dy\n0.185396 0.714306 0.899702 Dy\n0.814604 0.285694 0.100298 Dy\n0.322111 0.632761 0.310650 Dy\n0.677889 0.367239 0.689350 Dy\n0.322111 0.011461 0.689350 Dy\n0.677889 0.988539 0.310650 Dy\n0.352840 0.000000 0.352840 Co\n0.647160 0.000000 0.647160 Co\n0.112152 0.612152 0.500000 Co\n0.887848 0.387848 0.500000 Co\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Sn"
],
"chemical_system": "Co-Dy-Sn",
"density": 8.906528169020232,
"density_atomic": 0.03984291052564373,
"volume": 451.7742243859123,
"volume_molar": 15.11471094995438,
"formula_full": "Dy12 Co4 Sn2",
"formula_reduced": "Dy6Co2Sn",
"formula_anonymous": "AB2C6",
"energy": -97.68594856,
"energy_per_atom": -5.4269971422222225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.68594856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.162000Z",
"spacegroup": 71
},
{
"id": "mp-560051",
"created_at": "2022-09-04T14:40:04.300843Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.890405 0.000000 0.000000\n0.000000 6.584706 0.000000\n0.000000 5.618635 17.308758\nRb Si Bi S\n4 4 4 16\ndirect\n0.253246 0.709782 0.036000 Rb\n0.246754 0.709782 0.536000 Rb\n0.753246 0.290218 0.464000 Rb\n0.746754 0.290218 0.964000 Rb\n0.270826 0.202340 0.840621 Si\n0.229174 0.202340 0.340621 Si\n0.770826 0.797660 0.659379 Si\n0.729174 0.797660 0.159379 Si\n0.809554 0.239150 0.223226 Bi\n0.190446 0.760850 0.776774 Bi\n0.690446 0.239150 0.723226 Bi\n0.309554 0.760850 0.276774 Bi\n0.515446 0.990923 0.645923 S\n0.181156 0.397721 0.222290 S\n0.484554 0.009077 0.354077 S\n0.015446 0.009077 0.854077 S\n0.318844 0.397721 0.722290 S\n0.245363 0.408649 0.910040 S\n0.754637 0.591351 0.089960 S\n0.818844 0.602279 0.777710 S\n0.745363 0.591351 0.589960 S\n0.254637 0.408649 0.410040 S\n0.507792 0.986701 0.865197 S\n0.007792 0.013299 0.634803 S\n0.492208 0.013299 0.134803 S\n0.984554 0.990923 0.145923 S\n0.992208 0.986701 0.365197 S\n0.681156 0.602279 0.277710 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S-Si",
"density": 3.8127636323292067,
"density_atomic": 0.035654223873361895,
"volume": 785.3206985924452,
"volume_molar": 16.890399245232995,
"formula_full": "Rb4 Si4 Bi4 S16",
"formula_reduced": "RbSiBiS4",
"formula_anonymous": "ABCD4",
"energy": -137.75127203,
"energy_per_atom": -4.919688286785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.70327203,
"band_gap": 1.9806,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.334000Z",
"spacegroup": 14
},
{
"id": "mp-1027580",
"created_at": "2022-09-04T14:40:35.348184Z",
"structure_string": "Mo4 Se4 S4\n1.0\n1.627825 -2.819476 0.000000\n1.627825 2.819476 0.000000\n0.000000 0.000000 36.841711\nMo Se S\n4 4 4\ndirect\n0.000000 0.000000 0.093920 Mo\n0.000000 0.000000 0.469654 Mo\n0.333333 0.666667 0.281801 Mo\n0.333333 0.666667 0.657552 Mo\n0.000000 0.000000 0.327849 Se\n0.000000 0.000000 0.703626 Se\n0.000000 0.000000 0.235730 Se\n0.000000 0.000000 0.611475 Se\n0.333333 0.666667 0.052002 S\n0.333333 0.666667 0.427776 S\n0.333333 0.666667 0.135809 S\n0.333333 0.666667 0.511555 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 4.064995725875689,
"density_atomic": 0.03548422649986452,
"volume": 338.1784297889604,
"volume_molar": 16.971317551540807,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy": -86.88247623000001,
"energy_per_atom": -7.2402063525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.98247623,
"band_gap": 0.6160000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.323000Z",
"spacegroup": 156
},
{
"id": "mp-1100464",
"created_at": "2022-09-04T14:41:47.119855Z",
"structure_string": "Mg2 Si4\n1.0\n4.463639 0.000000 0.000000\n2.046268 4.644139 0.000000\n2.178088 1.131636 4.979538\nMg Si\n2 4\ndirect\n0.307257 0.093691 0.291056 Mg\n0.692743 0.906309 0.708944 Mg\n0.937655 0.256834 0.853634 Si\n0.626217 0.491517 0.259562 Si\n0.062345 0.743166 0.146366 Si\n0.373783 0.508483 0.740438 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5891794470170066,
"density_atomic": 0.05812566388074871,
"volume": 103.22462746076621,
"volume_molar": 10.360553941121593,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -23.71963394,
"energy_per_atom": -3.9532723233333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.00363394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.367000Z",
"spacegroup": 2
}
]
}