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=-energy_per_atom&page=29",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=27",
"results": [
{
"id": "mp-974951",
"created_at": "2022-09-04T14:40:08.937186Z",
"structure_string": "Rb3 Hg1\n1.0\n6.330224 0.000000 0.000000\n0.000000 6.330224 0.000000\n0.000000 0.000000 6.330224\nRb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 2.9915880583999157,
"density_atomic": 0.015768949301977017,
"volume": 253.6630642536535,
"volume_molar": 38.18986696371064,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy": -3.42384029,
"energy_per_atom": -0.8559600725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42384029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.971000Z",
"spacegroup": 221
},
{
"id": "mp-1185886",
"created_at": "2022-09-04T14:47:03.616058Z",
"structure_string": "Mg2 Hg4\n1.0\n2.630677 4.624049 0.000000\n-2.630677 4.624049 0.000000\n0.000000 4.093366 5.678974\nMg Hg\n2 4\ndirect\n0.895482 0.104518 0.750000 Mg\n0.104518 0.895482 0.250000 Mg\n0.227551 0.437354 0.747264 Hg\n0.772449 0.562646 0.252736 Hg\n0.437354 0.227551 0.247264 Hg\n0.562646 0.772449 0.752736 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.227594851991588,
"density_atomic": 0.04342715902292414,
"volume": 138.1623881228967,
"volume_molar": 13.867222483563934,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.13578195,
"energy_per_atom": -0.8559636583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.13578195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.183000Z",
"spacegroup": 15
},
{
"id": "mp-1",
"created_at": "2022-09-04T14:46:54.536581Z",
"structure_string": "Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9350390306525629,
"density_atomic": 0.00876794537479071,
"volume": 114.05180544066401,
"volume_molar": 68.68360262958124,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85663276,
"energy_per_atom": -0.85663276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85663276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.081000Z",
"spacegroup": 229
},
{
"id": "mp-1183897",
"created_at": "2022-09-04T14:44:43.315426Z",
"structure_string": "Cs20\n1.0\n13.375494 0.000000 0.000000\n0.000000 13.375494 0.000000\n0.000000 0.000000 13.375494\nCs\n20\ndirect\n0.875000 0.703483 0.046517 Cs\n0.062325 0.062325 0.062325 Cs\n0.203483 0.453483 0.125000 Cs\n0.812325 0.312325 0.187675 Cs\n0.453483 0.125000 0.203483 Cs\n0.546517 0.625000 0.296517 Cs\n0.187675 0.812325 0.312325 Cs\n0.796517 0.953483 0.375000 Cs\n0.937675 0.562325 0.437675 Cs\n0.125000 0.203483 0.453483 Cs\n0.625000 0.296517 0.546517 Cs\n0.437675 0.937675 0.562325 Cs\n0.296517 0.546517 0.625000 Cs\n0.687675 0.687675 0.687675 Cs\n0.046517 0.875000 0.703483 Cs\n0.953483 0.375000 0.796517 Cs\n0.312325 0.187675 0.812325 Cs\n0.703483 0.046517 0.875000 Cs\n0.562325 0.437675 0.937675 Cs\n0.375000 0.796517 0.953483 Cs\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.844558345187755,
"density_atomic": 0.008357964131486529,
"volume": 2392.927235073315,
"volume_molar": 72.05272319024556,
"formula_full": "Cs20",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -17.13450952,
"energy_per_atom": -0.856725476,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13450952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0715511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.654000Z",
"spacegroup": 213
},
{
"id": "mp-1095737",
"created_at": "2022-09-04T14:44:10.097372Z",
"structure_string": "Li1 La1 Zn2\n1.0\n-5.817550 5.894106 8.302496\n5.817550 -5.894106 8.302496\n5.817550 5.894106 -8.302496\nLi La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.238160 0.238160 Zn\n0.000000 0.761840 0.761840 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Zn"
],
"chemical_system": "La-Li-Zn",
"density": 0.4034370262741985,
"density_atomic": 0.0035126368931415633,
"volume": 1138.7456550974612,
"volume_molar": 171.44216562088306,
"formula_full": "Li1 La1 Zn2",
"formula_reduced": "LiLaZn2",
"formula_anonymous": "ABC2",
"energy": -3.42706971,
"energy_per_atom": -0.8567674275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42706971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.960000Z",
"spacegroup": 71
},
{
"id": "mp-11464",
"created_at": "2022-09-04T14:41:50.398132Z",
"structure_string": "Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.28949687666519,
"density_atomic": 0.04368999980888058,
"volume": 68.66559883550765,
"volume_molar": 13.78379671857064,
"formula_full": "Mg1 Hg2",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -2.57212256,
"energy_per_atom": -0.8573741866666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.57212256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.388000Z",
"spacegroup": 139
},
{
"id": "mp-1183694",
"created_at": "2022-09-04T14:45:58.920184Z",
"structure_string": "Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9031748818855136,
"density_atomic": 0.008623564247910042,
"volume": 115.961332373949,
"volume_molar": 69.83354662730657,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85803644,
"energy_per_atom": -0.85803644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85803644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.151000Z",
"spacegroup": 139
},
{
"id": "mp-1342613",
"created_at": "2022-09-04T14:48:06.293967Z",
"structure_string": "Na12 Mn3 S6 O24 F8\n1.0\n9.675505 0.000000 0.000000\n-3.161654 9.178620 0.000000\n-2.569585 -5.066624 7.981221\nNa Mn S O F\n12 3 6 24 8\ndirect\n0.491522 0.846144 0.204163 Na\n0.508478 0.153856 0.795837 Na\n0.713798 0.703980 0.440800 Na\n0.286202 0.296020 0.559200 Na\n0.126954 0.694494 0.984901 Na\n0.873046 0.305506 0.015099 Na\n0.445911 0.210684 0.214520 Na\n0.554089 0.789316 0.785480 Na\n0.037977 0.866347 0.633760 Na\n0.962023 0.133653 0.366240 Na\n0.698563 0.634224 0.082556 Na\n0.301437 0.365776 0.917444 Na\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.733473 0.405438 0.356873 S\n0.266527 0.594562 0.643127 S\n0.719287 0.518127 0.816450 S\n0.280713 0.481873 0.183550 S\n0.167058 0.899199 0.227577 S\n0.832942 0.100801 0.772423 S\n0.701652 0.416959 0.972556 O\n0.298348 0.583041 0.027444 O\n0.898814 0.586697 0.670354 O\n0.101186 0.413303 0.329646 O\n0.589729 0.432345 0.358200 O\n0.410271 0.567655 0.641800 O\n0.057132 0.928094 0.362350 O\n0.942868 0.071906 0.637650 O\n0.704614 0.663759 0.827773 O\n0.295386 0.336241 0.172227 O\n0.588211 0.421746 0.789432 O\n0.411789 0.578254 0.210567 O\n0.813260 0.509338 0.421138 O\n0.186740 0.490662 0.578862 O\n0.342798 0.044432 0.107932 O\n0.657202 0.955568 0.892068 O\n0.862766 0.447451 0.184538 O\n0.137234 0.552549 0.815462 O\n0.662993 0.229749 0.473937 O\n0.337007 0.770251 0.526063 O\n0.187225 0.756549 0.300690 O\n0.812775 0.243451 0.699310 O\n0.081292 0.860812 0.133922 O\n0.918708 0.139188 0.866078 O\n0.329025 0.065852 0.505184 F\n0.670975 0.934148 0.494816 F\n0.763258 0.842633 0.174588 F\n0.236742 0.157367 0.825411 F\n0.598560 0.078208 0.265198 F\n0.401440 0.921792 0.734802 F\n0.993276 0.852977 0.902559 F\n0.006724 0.147023 0.097441 F\n",
"nsites": 53,
"nelements": 5,
"elements": [
"Na",
"Mn",
"S",
"O",
"F"
],
"chemical_system": "F-Mn-Na-O-S",
"density": 2.738819255173876,
"density_atomic": 0.07477484149745375,
"volume": 708.7945482546395,
"volume_molar": 8.05369913115104,
"formula_full": "Na12 Mn3 S6 O24 F8",
"formula_reduced": "Na12Mn3S6(O3F)8",
"formula_anonymous": "A3B6C8D12E24",
"energy": -45.54653261,
"energy_per_atom": -0.8593685398113208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.35853261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9588319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.181000Z",
"spacegroup": 2
},
{
"id": "mp-1185878",
"created_at": "2022-09-04T14:41:23.545714Z",
"structure_string": "Mg2 Hg4\n1.0\n1.756447 5.898415 0.000000\n-1.756447 5.898415 0.000000\n0.000000 2.334882 6.711736\nMg Hg\n2 4\ndirect\n0.029082 0.029082 0.719597 Mg\n0.970918 0.970918 0.280403 Mg\n0.642961 0.642961 0.952528 Hg\n0.357039 0.357039 0.047472 Hg\n0.666571 0.666571 0.381271 Hg\n0.333429 0.333429 0.618729 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.160804865754224,
"density_atomic": 0.0431435635739996,
"volume": 139.07057050836409,
"volume_molar": 13.958375852914553,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy": -5.15716726,
"energy_per_atom": -0.8595278766666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.15716726,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.930000Z",
"spacegroup": 12
},
{
"id": "mp-1096330",
"created_at": "2022-09-04T14:47:25.764481Z",
"structure_string": "Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 0.8372615481917002,
"density_atomic": 0.003908691808191634,
"volume": 1023.3602945151641,
"volume_molar": 154.07049354413437,
"formula_full": "Li1 Ag1 Hg2",
"formula_reduced": "LiAgHg2",
"formula_anonymous": "ABC2",
"energy": -3.43945336,
"energy_per_atom": -0.85986334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.43945336,
"band_gap": 1.0433999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.904000Z",
"spacegroup": 71
},
{
"id": "mp-862689",
"created_at": "2022-09-04T14:43:01.253426Z",
"structure_string": "Cs6 Rb2\n1.0\n5.373780 -9.307660 0.000000\n5.373780 9.307660 0.000000\n0.000000 0.000000 8.714808\nCs Rb\n6 2\ndirect\n0.167849 0.335699 0.250000 Cs\n0.664301 0.832151 0.250000 Cs\n0.167849 0.832151 0.250000 Cs\n0.832151 0.664301 0.750000 Cs\n0.335699 0.167849 0.750000 Cs\n0.832151 0.167849 0.750000 Cs\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cs",
"Rb"
],
"chemical_system": "Cs-Rb",
"density": 1.844511870386351,
"density_atomic": 0.009176599432285914,
"volume": 871.7826313583766,
"volume_molar": 65.62497147704167,
"formula_full": "Cs6 Rb2",
"formula_reduced": "Cs3Rb",
"formula_anonymous": "AB3",
"energy": -6.88169605,
"energy_per_atom": -0.86021200625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.88169605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3645057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.901000Z",
"spacegroup": 194
},
{
"id": "mp-11832",
"created_at": "2022-09-04T14:39:58.717468Z",
"structure_string": "Cs2\n1.0\n2.756158 -4.773806 0.000000\n2.756158 4.773806 0.000000\n0.000000 0.000000 8.894133\nCs\n2\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8859032028740623,
"density_atomic": 0.008545303739618251,
"volume": 234.04668352834315,
"volume_molar": 70.47310363094279,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.72060413,
"energy_per_atom": -0.860302065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.72060413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043188,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.956000Z",
"spacegroup": 194
}
]
}