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=12147",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12145",
"results": [
{
"id": "mp-818996",
"created_at": "2022-09-04T14:43:16.593927Z",
"structure_string": "K2 Cr2 Cd1 H4 O10\n1.0\n6.044537 0.000000 0.000000\n-2.212431 6.121749 0.000000\n-0.873253 -3.109040 7.039169\nK Cr Cd H O\n2 2 1 4 10\ndirect\n0.863326 0.216935 0.244171 K\n0.136674 0.783065 0.755829 K\n0.195904 0.868837 0.240203 Cr\n0.804096 0.131163 0.759797 Cr\n0.000000 0.000000 0.000000 Cd\n0.320630 0.325940 0.400519 H\n0.679370 0.674060 0.599481 H\n0.307991 0.222700 0.313742 H\n0.692009 0.777300 0.686258 H\n0.489270 0.397210 0.287540 O\n0.907604 0.455627 0.367973 O\n0.092396 0.544373 0.632027 O\n0.006950 0.881264 0.379468 O\n0.993050 0.118736 0.620532 O\n0.238350 0.091560 0.085899 O\n0.761650 0.908440 0.914101 O\n0.647894 0.079834 0.118679 O\n0.352106 0.920166 0.881321 O\n0.510730 0.602790 0.712460 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"K",
"Cr",
"Cd",
"H",
"O"
],
"chemical_system": "Cd-Cr-H-K-O",
"density": 2.9237982452541726,
"density_atomic": 0.07294468438786574,
"volume": 260.471344271943,
"volume_molar": 8.255763679747686,
"formula_full": "K2 Cr2 Cd1 H4 O10",
"formula_reduced": "K2Cr2Cd(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -20.26191827,
"energy_per_atom": -1.0664167510526315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.39391827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8143997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.079000Z",
"spacegroup": 2
},
{
"id": "mp-1095972",
"created_at": "2022-09-04T14:47:22.444443Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 0.4811571208264284,
"density_atomic": 0.00258442786388782,
"volume": 1547.7313396484974,
"volume_molar": 233.0163996506655,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy": -4.26140228,
"energy_per_atom": -1.06535057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.26140228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9597516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
},
{
"id": "mp-865171",
"created_at": "2022-09-04T14:44:19.673828Z",
"structure_string": "Yb2 Hg6\n1.0\n3.337727 -5.781113 0.000000\n3.337727 5.781113 0.000000\n0.000000 0.000000 5.201621\nYb Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.165698 0.331395 0.250000 Hg\n0.668605 0.834302 0.250000 Hg\n0.165698 0.834302 0.250000 Hg\n0.834302 0.668605 0.750000 Hg\n0.331395 0.165698 0.750000 Hg\n0.834302 0.165698 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Hg"
],
"chemical_system": "Hg-Yb",
"density": 12.818680969441205,
"density_atomic": 0.03985281613927825,
"volume": 200.7386371904428,
"volume_molar": 15.11095411414272,
"formula_full": "Yb2 Hg6",
"formula_reduced": "YbHg3",
"formula_anonymous": "AB3",
"energy": -8.52236894,
"energy_per_atom": -1.0652961175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.52236894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038652,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.061000Z",
"spacegroup": 194
},
{
"id": "mp-975053",
"created_at": "2022-09-04T14:43:39.706517Z",
"structure_string": "Rb3 Ba1\n1.0\n-3.371459 3.371459 7.371348\n3.371459 -3.371459 7.371348\n3.371459 3.371459 -7.371348\nRb Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 1.9507668832250251,
"density_atomic": 0.011934859756612515,
"volume": 335.15266048968846,
"volume_molar": 50.45841243893486,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
"energy": -4.25989498,
"energy_per_atom": -1.064973745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25989498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3799371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.350000Z",
"spacegroup": 139
},
{
"id": "mp-974959",
"created_at": "2022-09-04T14:41:27.859575Z",
"structure_string": "Rb3 Li1\n1.0\n-3.283282 3.283282 6.460627\n3.283282 -3.283282 6.460627\n3.283282 3.283282 -6.460627\nRb Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Li"
],
"chemical_system": "Li-Rb",
"density": 1.5697198642323973,
"density_atomic": 0.014358496295258025,
"volume": 278.58070356023444,
"volume_molar": 41.94130524648913,
"formula_full": "Rb3 Li1",
"formula_reduced": "Rb3Li",
"formula_anonymous": "AB3",
"energy": -4.25982999,
"energy_per_atom": -1.0649574975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25982999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.281000Z",
"spacegroup": 139
},
{
"id": "mp-1185207",
"created_at": "2022-09-04T14:42:07.418303Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n0.000000 3.502362 3.502362\n3.502362 0.000000 3.502362\n3.502362 3.502362 0.000000\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 10.059663144273435,
"density_atomic": 0.046552916995638474,
"volume": 85.92372418627943,
"volume_molar": 12.93611904182978,
"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy": -4.25836963,
"energy_per_atom": -1.0645924075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25836963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.672000Z",
"spacegroup": 225
},
{
"id": "mp-1096278",
"created_at": "2022-09-04T14:47:38.543073Z",
"structure_string": "Na1 Li1 Tl2\n1.0\n-6.181795 6.839335 9.206058\n6.181795 -6.839335 9.206058\n6.181795 6.839335 -9.206058\nNa Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.237326 0.237326 Tl\n0.000000 0.762674 0.762674 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"Tl"
],
"chemical_system": "Li-Na-Tl",
"density": 0.46789882436294616,
"density_atomic": 0.0025691994345445864,
"volume": 1556.9052157716342,
"volume_molar": 234.39755898387384,
"formula_full": "Na1 Li1 Tl2",
"formula_reduced": "NaLiTl2",
"formula_anonymous": "ABC2",
"energy": -4.25579217,
"energy_per_atom": -1.0639480425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25579217,
"band_gap": 0.0472999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.139000Z",
"spacegroup": 71
},
{
"id": "mp-1094742",
"created_at": "2022-09-04T14:43:51.968372Z",
"structure_string": "Mg1 Cd5\n1.0\n2.676009 -4.634984 0.000000\n2.676009 4.634984 0.000000\n0.000000 0.000000 5.398099\nMg Cd\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.333636 0.000000 Cd\n0.666364 0.666364 0.000000 Cd\n0.333636 0.000000 0.000000 Cd\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 7.271211608832705,
"density_atomic": 0.044806869315030584,
"volume": 133.90803891731136,
"volume_molar": 13.440217654260117,
"formula_full": "Mg1 Cd5",
"formula_reduced": "MgCd5",
"formula_anonymous": "AB5",
"energy": -6.38036289,
"energy_per_atom": -1.063393815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.38036289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.745000Z",
"spacegroup": 189
},
{
"id": "mp-1096038",
"created_at": "2022-09-04T14:46:58.421046Z",
"structure_string": "Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Hg"
],
"chemical_system": "Hg-La-Li",
"density": 0.6559100744797296,
"density_atomic": 0.0032554225961053725,
"volume": 1228.719123835229,
"volume_molar": 184.9879879559905,
"formula_full": "Li1 La2 Hg1",
"formula_reduced": "LiLa2Hg",
"formula_anonymous": "ABC2",
"energy": -4.2531831,
"energy_per_atom": -1.063295775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.2531831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8250459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.361000Z",
"spacegroup": 71
},
{
"id": "mp-1185057",
"created_at": "2022-09-04T14:40:30.074780Z",
"structure_string": "K3 Yb1\n1.0\n0.000000 5.089460 5.089460\n5.089460 0.000000 5.089460\n5.089460 5.089460 0.000000\nK Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Yb"
],
"chemical_system": "K-Yb",
"density": 1.828534796655681,
"density_atomic": 0.015171023440618256,
"volume": 263.66052466114905,
"volume_molar": 39.69501980912227,
"formula_full": "K3 Yb1",
"formula_reduced": "K3Yb",
"formula_anonymous": "AB3",
"energy": -4.25239453,
"energy_per_atom": -1.0630986325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25239453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.262952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.740000Z",
"spacegroup": 225
},
{
"id": "mp-975037",
"created_at": "2022-09-04T14:43:53.990225Z",
"structure_string": "Rb3 Ba1\n1.0\n0.000000 5.514430 5.514430\n5.514430 0.000000 5.514430\n5.514430 5.514430 0.000000\nRb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 1.9494682449734304,
"density_atomic": 0.011926914642544487,
"volume": 335.3759224310706,
"volume_molar": 50.49202530986871,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
"energy": -4.25003796,
"energy_per_atom": -1.06250949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.25003796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0855601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.455000Z",
"spacegroup": 225
},
{
"id": "mp-1093659",
"created_at": "2022-09-04T14:39:13.755492Z",
"structure_string": "Ca2 Al1 Tl1\n1.0\n-6.144115 6.691737 9.544502\n6.144115 -6.691737 9.544502\n6.144115 6.691737 -9.544502\nCa Al Tl\n2 1 1\ndirect\n0.000000 0.242329 0.242329 Ca\n0.000000 0.757671 0.757671 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Tl"
],
"chemical_system": "Al-Ca-Tl",
"density": 0.32955259547917376,
"density_atomic": 0.0025482881047749766,
"volume": 1569.6812273717437,
"volume_molar": 236.32103248905514,
"formula_full": "Ca2 Al1 Tl1",
"formula_reduced": "Ca2AlTl",
"formula_anonymous": "ABC2",
"energy": -4.24739645,
"energy_per_atom": -1.0618491125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.24739645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2821743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.585000Z",
"spacegroup": 71
}
]
}