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=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12160",
"results": [
{
"id": "mp-1093850",
"created_at": "2022-09-04T14:48:07.497782Z",
"structure_string": "Na1 Sc1 In2\n1.0\n-6.028607 6.295542 9.062646\n6.028607 -6.295542 9.062646\n6.028607 6.295542 -9.062646\nNa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.257637 0.257637 In\n0.000000 0.742363 0.742363 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"In"
],
"chemical_system": "In-Na-Sc",
"density": 0.35916183685480496,
"density_atomic": 0.002907333715709627,
"volume": 1375.8310504178476,
"volume_molar": 207.13620618987338,
"formula_full": "Na1 Sc1 In2",
"formula_reduced": "NaScIn2",
"formula_anonymous": "ABC2",
"energy": -7.22819946,
"energy_per_atom": -1.807049865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.22819946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3540437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.453000Z",
"spacegroup": 71
},
{
"id": "mp-1093971",
"created_at": "2022-09-04T14:46:24.868291Z",
"structure_string": "Sr2 Li1 Hg1\n1.0\n-6.599712 7.196462 9.331368\n6.599712 -7.196462 9.331368\n6.599712 7.196462 -9.331368\nSr Li Hg\n2 1 1\ndirect\n0.251407 0.000000 0.251407 Sr\n0.748593 0.000000 0.748593 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Hg"
],
"chemical_system": "Hg-Li-Sr",
"density": 0.3585409751414802,
"density_atomic": 0.002256371795434683,
"volume": 1772.757489742249,
"volume_molar": 266.89487841430196,
"formula_full": "Sr2 Li1 Hg1",
"formula_reduced": "Sr2LiHg",
"formula_anonymous": "ABC2",
"energy": -1.81841803,
"energy_per_atom": -0.4546045075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.81841803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.663000Z",
"spacegroup": 71
},
{
"id": "mp-1206276",
"created_at": "2022-09-04T14:42:27.510203Z",
"structure_string": "Pr2 Sb3 Au1\n1.0\n9.747002 0.000000 0.000000\n0.000000 9.747002 0.000000\n0.000000 0.000000 41.160360\nPr Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.242759 Pr\n0.500000 0.500000 0.757241 Pr\n0.500000 0.500000 0.690753 Sb\n0.500000 0.500000 0.309247 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Sb",
"Au"
],
"chemical_system": "Au-Pr-Sb",
"density": 0.3584281442803523,
"density_atomic": 0.001534369564997708,
"volume": 3910.40081664352,
"volume_molar": 392.48306909743707,
"formula_full": "Pr2 Sb3 Au1",
"formula_reduced": "Pr2Sb3Au",
"formula_anonymous": "AB2C3",
"energy": -12.22159749,
"energy_per_atom": -2.036932915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.64559749,
"band_gap": 0.1177000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9329346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.331000Z",
"spacegroup": 123
},
{
"id": "mp-1210730",
"created_at": "2022-09-04T14:47:07.661563Z",
"structure_string": "Na2 Mg1 As2\n1.0\n8.494939 0.000000 0.000000\n0.000000 8.494939 0.000000\n0.000000 0.000000 14.136120\nNa Mg As\n2 1 2\ndirect\n0.500000 0.500000 0.625174 Na\n0.500000 0.500000 0.374826 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.177201 As\n0.500000 0.500000 0.822799 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mg",
"As"
],
"chemical_system": "As-Mg-Na",
"density": 0.3583217058109017,
"density_atomic": 0.004901389903467584,
"volume": 1020.1188027221938,
"volume_molar": 122.86598043831444,
"formula_full": "Na2 Mg1 As2",
"formula_reduced": "Na2MgAs2",
"formula_anonymous": "AB2C2",
"energy": -9.20714337,
"energy_per_atom": -1.841428674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20714337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6611622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.435000Z",
"spacegroup": 123
},
{
"id": "mp-1208187",
"created_at": "2022-09-04T14:47:39.394222Z",
"structure_string": "Zn1 Sn3 F6\n1.0\n11.886832 0.000000 0.000000\n5.708255 10.875662 0.000000\n1.966927 0.834988 19.229041\nZn Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.605380 0.400616 0.915303 F\n0.394620 0.599384 0.084697 F\n0.003816 0.920088 0.598389 F\n0.996184 0.079912 0.401611 F\n0.917826 0.688291 0.004478 F\n0.082174 0.311709 0.995522 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"F"
],
"chemical_system": "F-Sn-Zn",
"density": 0.35772803677312953,
"density_atomic": 0.004022726884377145,
"volume": 2485.875946198704,
"volume_molar": 149.7029485990678,
"formula_full": "Zn1 Sn3 F6",
"formula_reduced": "ZnSn3F6",
"formula_anonymous": "AB3C6",
"energy": -38.9901644,
"energy_per_atom": -3.8990164399999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.2181644,
"band_gap": 1.1672000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.123000Z",
"spacegroup": 2
},
{
"id": "mp-1096234",
"created_at": "2022-09-04T14:39:32.352559Z",
"structure_string": "Ti2 V1 Tc1\n1.0\n-4.838829 6.687334 8.776054\n4.838829 -6.687334 8.776054\n4.838829 6.687334 -8.776054\nTi V Tc\n2 1 1\ndirect\n0.000000 0.278919 0.278919 Ti\n0.000000 0.721081 0.721081 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Tc"
],
"chemical_system": "Tc-Ti-V",
"density": 0.35767370576411145,
"density_atomic": 0.003521335651516667,
"volume": 1135.9326107629554,
"volume_molar": 171.01865189722022,
"formula_full": "Ti2 V1 Tc1",
"formula_reduced": "Ti2VTc",
"formula_anonymous": "ABC2",
"energy": -21.25652341,
"energy_per_atom": -5.3141308525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.25652341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9977865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.419000Z",
"spacegroup": 71
},
{
"id": "mp-1210218",
"created_at": "2022-09-04T14:42:49.266147Z",
"structure_string": "P4 H16 I8\n1.0\n20.586506 0.000000 0.000000\n0.000000 20.586506 0.000000\n0.000000 0.000000 12.656096\nP H I\n4 16 8\ndirect\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n0.585472 0.250076 0.676814 H\n0.414528 0.749924 0.676814 H\n0.750076 0.914528 0.676814 H\n0.085472 0.249924 0.323186 H\n0.914528 0.249924 0.323186 H\n0.249924 0.085472 0.676814 H\n0.914528 0.750076 0.323186 H\n0.085472 0.750076 0.323186 H\n0.250076 0.585472 0.323186 H\n0.749924 0.585472 0.323186 H\n0.749924 0.414528 0.323186 H\n0.250076 0.414528 0.323186 H\n0.414528 0.250076 0.676814 H\n0.585472 0.749924 0.676814 H\n0.750076 0.085472 0.676814 H\n0.249924 0.914528 0.676814 H\n0.249750 0.250250 0.106015 I\n0.750250 0.749750 0.106015 I\n0.750250 0.250250 0.106015 I\n0.749750 0.249750 0.893985 I\n0.250250 0.249750 0.893985 I\n0.249750 0.749750 0.106015 I\n0.250250 0.750250 0.893985 I\n0.749750 0.750250 0.893985 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"P",
"H",
"I"
],
"chemical_system": "H-I-P",
"density": 0.3576539107447677,
"density_atomic": 0.005220270223967014,
"volume": 5363.707011075396,
"volume_molar": 115.3607093431961,
"formula_full": "P4 H16 I8",
"formula_reduced": "P(H2I)2",
"formula_anonymous": "AB2C4",
"energy": -39.228613980000006,
"energy_per_atom": -1.401021927857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.19661398,
"band_gap": 1.6384,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.000607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.127000Z",
"spacegroup": 129
},
{
"id": "mp-1207665",
"created_at": "2022-09-04T14:44:07.599535Z",
"structure_string": "Y2 C2\n1.0\n7.832452 0.000000 -2.303474\n0.000000 8.480497 0.000000\n0.491660 0.000000 13.971150\nY C\n2 2\ndirect\n0.318898 0.152192 0.233219 Y\n0.681102 0.652192 0.766781 Y\n0.171155 0.007808 0.275993 C\n0.828845 0.507808 0.724007 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"C"
],
"chemical_system": "C-Y",
"density": 0.3574527692187474,
"density_atomic": 0.004266160291906521,
"volume": 937.611277191937,
"volume_molar": 141.16067723533058,
"formula_full": "Y2 C2",
"formula_reduced": "YC",
"formula_anonymous": "AB",
"energy": -15.48535557,
"energy_per_atom": -3.8713388925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.48535557,
"band_gap": 0.1779999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.107000Z",
"spacegroup": 4
},
{
"id": "mp-1206426",
"created_at": "2022-09-04T14:47:35.184620Z",
"structure_string": "Pr2 Ag1 Sb3\n1.0\n9.261403 0.000000 0.000000\n0.000000 9.261403 0.000000\n0.000000 0.000000 40.961314\nPr Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242780 Pr\n0.500000 0.500000 0.757220 Pr\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690785 Sb\n0.500000 0.500000 0.309215 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Sb"
],
"chemical_system": "Ag-Pr-Sb",
"density": 0.3568187011409525,
"density_atomic": 0.0017077480790637736,
"volume": 3513.3987697350167,
"volume_molar": 352.636365622585,
"formula_full": "Pr2 Ag1 Sb3",
"formula_reduced": "Pr2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -12.240606760000002,
"energy_per_atom": -2.040101126666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.66460676,
"band_gap": 0.1013999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9885673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.047000Z",
"spacegroup": 123
},
{
"id": "mp-1206316",
"created_at": "2022-09-04T14:40:06.028045Z",
"structure_string": "Nd2 Sb3 Au1\n1.0\n9.810151 0.000000 0.000000\n0.000000 9.810151 0.000000\n0.000000 0.000000 41.152353\nNd Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.242928 Nd\n0.500000 0.500000 0.757072 Nd\n0.500000 0.500000 0.690963 Sb\n0.500000 0.500000 0.309037 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"Au"
],
"chemical_system": "Au-Nd-Sb",
"density": 0.356693404711464,
"density_atomic": 0.0015149740496124616,
"volume": 3960.463878265659,
"volume_molar": 397.5078491635217,
"formula_full": "Nd2 Sb3 Au1",
"formula_reduced": "Nd2Sb3Au",
"formula_anonymous": "AB2C3",
"energy": -12.08233821,
"energy_per_atom": -2.013723035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50633821,
"band_gap": 0.1213000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9273462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.382000Z",
"spacegroup": 123
},
{
"id": "mp-1093771",
"created_at": "2022-09-04T14:43:00.799667Z",
"structure_string": "Sr2 Zn1 Ag1\n1.0\n-6.536265 6.721546 9.241152\n6.536265 -6.721546 9.241152\n6.536265 6.721546 -9.241152\nSr Zn Ag\n2 1 1\ndirect\n0.263811 0.000000 0.263811 Sr\n0.736189 0.000000 0.736189 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Ag"
],
"chemical_system": "Ag-Sr-Zn",
"density": 0.3563595337811546,
"density_atomic": 0.0024630603876534254,
"volume": 1623.9959117733315,
"volume_molar": 244.4982993590886,
"formula_full": "Sr2 Zn1 Ag1",
"formula_reduced": "Sr2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.24057299,
"energy_per_atom": -0.8101432475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.24057299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.242000Z",
"spacegroup": 71
},
{
"id": "mp-1095790",
"created_at": "2022-09-04T14:43:05.120276Z",
"structure_string": "Mg2 Zn1 Ag1\n1.0\n-5.499054 5.774265 8.148287\n5.499054 -5.774265 8.148287\n5.499054 5.774265 -8.148287\nMg Zn Ag\n2 1 1\ndirect\n0.000000 0.256157 0.256157 Mg\n0.000000 0.743843 0.743843 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ag"
],
"chemical_system": "Ag-Mg-Zn",
"density": 0.356016677593046,
"density_atomic": 0.0038649954501454352,
"volume": 1034.9300669550555,
"volume_molar": 155.8123634989892,
"formula_full": "Mg2 Zn1 Ag1",
"formula_reduced": "Mg2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.30510364,
"energy_per_atom": -0.82627591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.30510364,
"band_gap": 0.0056,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.078000Z",
"spacegroup": 71
}
]
}