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=density&page=16",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=14",
"results": [
{
"id": "mp-754417",
"created_at": "2022-09-04T14:47:20.839352Z",
"structure_string": "H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24165290766723713,
"density_atomic": 0.14438040216067372,
"volume": 6.926147766835766,
"volume_molar": 4.171023677644464,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.01370105,
"energy_per_atom": -3.01370105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01370105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.507000Z",
"spacegroup": 191
},
{
"id": "mp-1093779",
"created_at": "2022-09-04T14:40:07.568343Z",
"structure_string": "K1 Na2 Tl1\n1.0\n-6.988985 7.105538 10.012567\n6.988985 -7.105538 10.012567\n6.988985 7.105538 -10.012567\nK Na Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.261422 0.261422 Na\n0.000000 0.738578 0.738578 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Tl"
],
"chemical_system": "K-Na-Tl",
"density": 0.2416700668348954,
"density_atomic": 0.002011145492899554,
"volume": 1988.916273895744,
"volume_molar": 299.4383440313721,
"formula_full": "K1 Na2 Tl1",
"formula_reduced": "KNa2Tl",
"formula_anonymous": "ABC2",
"energy": -3.10075358,
"energy_per_atom": -0.775188395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.10075358,
"band_gap": 0.4707999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.614000Z",
"spacegroup": 71
},
{
"id": "mp-1096646",
"created_at": "2022-09-04T14:40:37.945569Z",
"structure_string": "Li2 Y1 Ga1\n1.0\n-5.803646 5.999582 8.494345\n5.803646 -5.999582 8.494345\n5.803646 5.999582 -8.494345\nLi Y Ga\n2 1 1\ndirect\n0.000000 0.233642 0.233642 Li\n0.000000 0.766358 0.766358 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 0.24213285197409606,
"density_atomic": 0.003381023553503235,
"volume": 1183.0736866223292,
"volume_molar": 178.11590675729488,
"formula_full": "Li2 Y1 Ga1",
"formula_reduced": "Li2YGa",
"formula_anonymous": "ABC2",
"energy": -6.29997234,
"energy_per_atom": -1.574993085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.29997234,
"band_gap": 0.0522,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.890000Z",
"spacegroup": 71
},
{
"id": "mp-1096727",
"created_at": "2022-09-04T14:40:26.280361Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-6.975387 7.610045 9.866200\n6.975387 -7.610045 9.866200\n6.975387 7.610045 -9.866200\nBa Li Mg\n2 1 1\ndirect\n0.749958 0.000000 0.749958 Ba\n0.250042 0.000000 0.250042 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Mg"
],
"chemical_system": "Ba-Li-Mg",
"density": 0.24247286038432367,
"density_atomic": 0.00190938959950159,
"volume": 2094.910332099915,
"volume_molar": 315.39612248710085,
"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
"formula_anonymous": "ABC2",
"energy": -1.88659108,
"energy_per_atom": -0.47164777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.88659108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9994844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.849000Z",
"spacegroup": 71
},
{
"id": "mp-1208665",
"created_at": "2022-09-04T14:40:09.221279Z",
"structure_string": "Sr1 O4\n1.0\n9.487288 0.000000 0.000000\n0.000000 9.487288 0.000000\n0.000000 0.000000 11.491319\nSr O\n1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.194337 O\n0.500000 0.500000 0.805663 O\n0.500000 0.500000 0.690729 O\n0.500000 0.500000 0.309271 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 0.24341350253789149,
"density_atomic": 0.004834103612226988,
"volume": 1034.3179213936182,
"volume_molar": 124.57616226445968,
"formula_full": "Sr1 O4",
"formula_reduced": "SrO4",
"formula_anonymous": "AB4",
"energy": -23.68172464,
"energy_per_atom": -4.736344927999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.03772464,
"band_gap": 0.3003999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.499000Z",
"spacegroup": 123
},
{
"id": "mp-1097376",
"created_at": "2022-09-04T14:39:17.349016Z",
"structure_string": "Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.24413839556478645,
"density_atomic": 0.0014616413324847755,
"volume": 2736.6494851373973,
"volume_molar": 412.0122102569734,
"formula_full": "Ba2 Sr1 Ca1",
"formula_reduced": "Ba2SrCa",
"formula_anonymous": "ABC2",
"energy": -1.36926461,
"energy_per_atom": -0.3423161525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.36926461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2780704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.477000Z",
"spacegroup": 71
},
{
"id": "mp-1215014",
"created_at": "2022-09-04T14:41:10.115658Z",
"structure_string": "Cd2 N24 Cl12\n1.0\n-9.037840 -15.653997 0.507711\n-9.635273 15.998926 -0.253855\n0.310463 0.537738 -22.658020\nCd N Cl\n2 24 12\ndirect\n0.000000 -0.000000 0.000000 Cd\n0.500000 -0.000000 0.500000 Cd\n0.582759 0.604012 0.749862 N\n0.417241 0.395988 0.250138 N\n0.749913 0.145331 0.000681 N\n0.521253 0.604012 0.750138 N\n0.250087 0.854669 0.999319 N\n0.478747 0.395988 0.249862 N\n0.000605 0.250588 0.604647 N\n0.895418 0.145331 0.499319 N\n0.999395 0.749412 0.395353 N\n0.104582 0.854669 0.500681 N\n0.749983 0.250588 0.895353 N\n0.250017 0.749412 0.104647 N\n0.004044 0.000681 0.751894 N\n0.995956 0.999319 0.248106 N\n0.747973 0.752450 0.996213 N\n0.496637 0.000681 0.748106 N\n0.252027 0.247550 0.003787 N\n0.503363 0.999319 0.251894 N\n0.994469 0.247421 0.993452 N\n0.504476 0.752450 0.503787 N\n0.005531 0.752579 0.006548 N\n0.495524 0.247550 0.496213 N\n0.752952 0.247421 0.506548 N\n0.247048 0.752579 0.493452 N\n0.718206 0.789712 0.940823 Cl\n0.281794 0.210288 0.059177 Cl\n0.942631 0.223455 0.930504 Cl\n0.571506 0.789712 0.559177 Cl\n0.057369 0.776545 0.069496 Cl\n0.428494 0.210288 0.440823 Cl\n0.919997 0.986359 0.714122 Cl\n0.780823 0.223455 0.569496 Cl\n0.080003 0.013641 0.285878 Cl\n0.219177 0.776545 0.430504 Cl\n0.566363 0.986359 0.785878 Cl\n0.433637 0.013641 0.214122 Cl\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Cd",
"N",
"Cl"
],
"chemical_system": "Cd-Cl-N",
"density": 0.2448915464327776,
"density_atomic": 0.005681289918070567,
"volume": 6688.621870736224,
"volume_molar": 105.99953262102125,
"formula_full": "Cd2 N24 Cl12",
"formula_reduced": "Cd(N2Cl)6",
"formula_anonymous": "AB6C12",
"energy": -150.97115657999998,
"energy_per_atom": -3.9729251731578943,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.60315658,
"band_gap": 0.7938000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 48.0030035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.662000Z",
"spacegroup": 15
},
{
"id": "mp-1096529",
"created_at": "2022-09-04T14:48:26.268420Z",
"structure_string": "La1 Mg2 Sc1\n1.0\n-6.113243 6.983582 9.218310\n6.113243 -6.983582 9.218310\n6.113243 6.983582 -9.218310\nLa Mg Sc\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.245280 0.245280 Mg\n0.000000 0.754720 0.754720 Mg\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sc"
],
"chemical_system": "La-Mg-Sc",
"density": 0.24522085288981424,
"density_atomic": 0.0025409656555490322,
"volume": 1574.2046694982623,
"volume_molar": 237.00205261919538,
"formula_full": "La1 Mg2 Sc1",
"formula_reduced": "LaMg2Sc",
"formula_anonymous": "ABC2",
"energy": -5.13609459,
"energy_per_atom": -1.2840236475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.13609459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4467419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.407000Z",
"spacegroup": 71
},
{
"id": "mp-1095982",
"created_at": "2022-09-04T14:45:43.240758Z",
"structure_string": "Ca2 Al1 Cd1\n1.0\n-6.283447 6.470863 9.137937\n6.283447 -6.470863 9.137937\n6.283447 6.470863 -9.137937\nCa Al Cd\n2 1 1\ndirect\n0.000000 0.233045 0.233045 Ca\n0.000000 0.766955 0.766955 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cd"
],
"chemical_system": "Al-Ca-Cd",
"density": 0.24530778772649883,
"density_atomic": 0.002691483235814519,
"volume": 1486.1693904585984,
"volume_molar": 223.74803156362702,
"formula_full": "Ca2 Al1 Cd1",
"formula_reduced": "Ca2AlCd",
"formula_anonymous": "ABC2",
"energy": -3.25701619,
"energy_per_atom": -0.8142540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25701619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8897917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.210000Z",
"spacegroup": 71
},
{
"id": "mp-1096346",
"created_at": "2022-09-04T14:42:38.171954Z",
"structure_string": "Li2 Mg1 Ag1\n1.0\n-5.583944 5.604012 7.886966\n5.583944 -5.604012 7.886966\n5.583944 5.604012 -7.886966\nLi Mg Ag\n2 1 1\ndirect\n0.271065 0.000000 0.271065 Li\n0.728935 0.000000 0.728935 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ag"
],
"chemical_system": "Ag-Li-Mg",
"density": 0.24567222009374184,
"density_atomic": 0.004051817917438032,
"volume": 987.2111929771029,
"volume_molar": 148.62811909889092,
"formula_full": "Li2 Mg1 Ag1",
"formula_reduced": "Li2MgAg",
"formula_anonymous": "ABC2",
"energy": -4.52332055,
"energy_per_atom": -1.1308301375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.52332055,
"band_gap": 0.4773,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.999899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.495000Z",
"spacegroup": 71
},
{
"id": "mp-1096595",
"created_at": "2022-09-04T14:46:09.294087Z",
"structure_string": "Sr2 Li1 Zn1\n1.0\n-6.432329 7.143491 9.092268\n6.432329 -7.143491 9.092268\n6.432329 7.143491 -9.092268\nSr Li Zn\n2 1 1\ndirect\n0.747380 0.000000 0.747380 Sr\n0.252620 0.000000 0.252620 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Zn"
],
"chemical_system": "Li-Sr-Zn",
"density": 0.24602045999429512,
"density_atomic": 0.0023935859129005093,
"volume": 1671.132829802154,
"volume_molar": 251.59492824314233,
"formula_full": "Sr2 Li1 Zn1",
"formula_reduced": "Sr2LiZn",
"formula_anonymous": "ABC2",
"energy": -1.94171988,
"energy_per_atom": -0.48542997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.94171988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.929000Z",
"spacegroup": 71
},
{
"id": "mp-1093639",
"created_at": "2022-09-04T14:40:31.353718Z",
"structure_string": "La1 Mg2 Cd1\n1.0\n-6.348615 7.491552 10.604657\n6.348615 -7.491552 10.604657\n6.348615 7.491552 -10.604657\nLa Mg Cd\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.239391 0.239391 Mg\n0.000000 0.760609 0.760609 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 0.2468632753388417,
"density_atomic": 0.001982679812260511,
"volume": 2017.471492504624,
"volume_molar": 303.73743267875324,
"formula_full": "La1 Mg2 Cd1",
"formula_reduced": "LaMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.66496347,
"energy_per_atom": -0.6662408675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.66496347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4783742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.969000Z",
"spacegroup": 71
}
]
}