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_uncorrected&page=80",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=78",
"results": [
{
"id": "mp-23870",
"created_at": "2022-09-04T14:47:24.286337Z",
"structure_string": "Na1 H1\n1.0\n0.000000 2.413540 2.413540\n2.413540 0.000000 2.413540\n2.413540 2.413540 0.000000\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"H"
],
"chemical_system": "H-Na",
"density": 1.417181214937649,
"density_atomic": 0.07112732854751598,
"volume": 28.11858733965972,
"volume_molar": 8.466704546589238,
"formula_full": "Na1 H1",
"formula_reduced": "NaH",
"formula_anonymous": "AB",
"energy": -5.26441141,
"energy_per_atom": -2.632205705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.08541141,
"band_gap": 3.7666,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.68e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.324000Z",
"spacegroup": 225
},
{
"id": "mp-1180648",
"created_at": "2022-09-04T14:46:11.097212Z",
"structure_string": "K1 S1\n1.0\n6.139753 5.665404 0.000000\n-6.139753 5.665404 0.000000\n0.000000 2.063230 5.667774\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 0.29969594818178147,
"density_atomic": 0.005072308860820278,
"volume": 394.29775569237836,
"volume_molar": 118.7258293065797,
"formula_full": "K1 S1",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy": -5.58849063,
"energy_per_atom": -2.794245315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.08549063,
"band_gap": 0.3759999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.203000Z",
"spacegroup": 12
},
{
"id": "mp-1093662",
"created_at": "2022-09-04T14:42:46.384672Z",
"structure_string": "Ca1 Mg1 Ag2\n1.0\n-5.738357 6.274529 8.865973\n5.738357 -6.274529 8.865973\n5.738357 6.274529 -8.865973\nCa Mg Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.248258 0.248258 Ag\n0.000000 0.751742 0.751742 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ag"
],
"chemical_system": "Ag-Ca-Mg",
"density": 0.3642815659469248,
"density_atomic": 0.0031325996945070116,
"volume": 1276.8947168749228,
"volume_molar": 192.2409930180283,
"formula_full": "Ca1 Mg1 Ag2",
"formula_reduced": "CaMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.08681073,
"energy_per_atom": -1.2717026825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.08681073,
"band_gap": 0.2608999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.552000Z",
"spacegroup": 71
},
{
"id": "mp-1095873",
"created_at": "2022-09-04T14:42:42.291231Z",
"structure_string": "Li1 Zr1 Hg2\n1.0\n-5.689727 6.077672 8.424744\n5.689727 -6.077672 8.424744\n5.689727 6.077672 -8.424744\nLi Zr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zr\n0.000000 0.236461 0.236461 Hg\n0.000000 0.763539 0.763539 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Hg"
],
"chemical_system": "Hg-Li-Zr",
"density": 0.7115483427359829,
"density_atomic": 0.0034325320401579124,
"volume": 1165.32051360429,
"volume_molar": 175.44310408601325,
"formula_full": "Li1 Zr1 Hg2",
"formula_reduced": "LiZrHg2",
"formula_anonymous": "ABC2",
"energy": -5.09059324,
"energy_per_atom": -1.27264831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.09059324,
"band_gap": 0.1902000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.890000Z",
"spacegroup": 71
},
{
"id": "mp-976031",
"created_at": "2022-09-04T14:39:38.736186Z",
"structure_string": "Na1 Ac1\n1.0\n1.941800 -3.363296 0.000000\n1.941800 3.363296 0.000000\n0.000000 0.000000 6.517857\nNa Ac\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.500000 Ac\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Ac"
],
"chemical_system": "Ac-Na",
"density": 4.876036209864473,
"density_atomic": 0.023492302506123094,
"volume": 85.13426895804338,
"volume_molar": 25.63452755825179,
"formula_full": "Na1 Ac1",
"formula_reduced": "NaAc",
"formula_anonymous": "AB",
"energy": -5.09159294,
"energy_per_atom": -2.54579647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.09159294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.179000Z",
"spacegroup": 187
},
{
"id": "mp-1016287",
"created_at": "2022-09-04T14:39:46.340913Z",
"structure_string": "K1 Mg3\n1.0\n3.241938 0.000000 0.000000\n0.000000 5.270290 0.000000\n0.000000 0.000000 7.278526\nK Mg\n1 3\ndirect\n0.500000 0.000000 0.140137 K\n0.000000 0.000000 0.648849 Mg\n0.000000 0.500000 0.416387 Mg\n0.500000 0.500000 0.794627 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.4956708645165808,
"density_atomic": 0.032164539317607516,
"volume": 124.36055621696156,
"volume_molar": 18.722919363260893,
"formula_full": "K1 Mg3",
"formula_reduced": "KMg3",
"formula_anonymous": "AB3",
"energy": -5.09716059,
"energy_per_atom": -1.2742901475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.09716059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.704000Z",
"spacegroup": 25
},
{
"id": "mp-1180106",
"created_at": "2022-09-04T14:45:36.222085Z",
"structure_string": "Na1 S1\n1.0\n5.713813 5.324788 0.000000\n-5.713813 5.324788 0.000000\n0.000000 1.730208 4.974654\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 0.30201104396961054,
"density_atomic": 0.006607067988018153,
"volume": 302.7061328303233,
"volume_molar": 91.14694704097322,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -5.60360961,
"energy_per_atom": -2.801804805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.10060961,
"band_gap": 0.3533999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.206000Z",
"spacegroup": 12
},
{
"id": "mp-1186089",
"created_at": "2022-09-04T14:41:19.685615Z",
"structure_string": "Na3 Yb1\n1.0\n0.000000 4.250866 4.250866\n4.250866 0.000000 4.250866\n4.250866 4.250866 0.000000\nNa Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Yb"
],
"chemical_system": "Na-Yb",
"density": 2.615886680797354,
"density_atomic": 0.026037408147673066,
"volume": 153.62512187517694,
"volume_molar": 23.128802705111767,
"formula_full": "Na3 Yb1",
"formula_reduced": "Na3Yb",
"formula_anonymous": "AB3",
"energy": -5.10445846,
"energy_per_atom": -1.276114615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.10445846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1346138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.206000Z",
"spacegroup": 225
},
{
"id": "mp-975015",
"created_at": "2022-09-04T14:45:55.293943Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.134327 3.134327 5.635995\n3.134327 -3.134327 5.635995\n3.134327 3.134327 -5.635995\nRb Ga\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 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ga"
],
"chemical_system": "Ga-Rb",
"density": 2.4452082689163084,
"density_atomic": 0.018060958435770574,
"volume": 221.47218898847652,
"volume_molar": 33.34341741284818,
"formula_full": "Rb3 Ga1",
"formula_reduced": "Rb3Ga",
"formula_anonymous": "AB3",
"energy": -5.10801291,
"energy_per_atom": -1.2770032275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.10801291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8750906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.991000Z",
"spacegroup": 139
},
{
"id": "mp-1097393",
"created_at": "2022-09-04T14:44:15.831169Z",
"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Rh"
],
"chemical_system": "Cd-Mg-Rh",
"density": 0.3290345181343499,
"density_atomic": 0.0030030969740266152,
"volume": 1331.9583198929192,
"volume_molar": 200.5310122212067,
"formula_full": "Mg2 Cd1 Rh1",
"formula_reduced": "Mg2CdRh",
"formula_anonymous": "ABC2",
"energy": -5.11162325,
"energy_per_atom": -1.2779058125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.11162325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0031721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
},
{
"id": "mp-1093582",
"created_at": "2022-09-04T14:48:20.475609Z",
"structure_string": "Ba2 Cd1 Ge1\n1.0\n-6.775685 6.975361 9.852347\n6.775685 -6.975361 9.852347\n6.775685 6.975361 -9.852347\nBa Cd Ge\n2 1 1\ndirect\n0.000000 0.216915 0.216915 Ba\n0.000000 0.783085 0.783085 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ge"
],
"chemical_system": "Ba-Cd-Ge",
"density": 0.4098347106356397,
"density_atomic": 0.0021475357602241505,
"volume": 1862.5999501784768,
"volume_molar": 280.42097698859436,
"formula_full": "Ba2 Cd1 Ge1",
"formula_reduced": "Ba2CdGe",
"formula_anonymous": "ABC2",
"energy": -5.11463111,
"energy_per_atom": -1.2786577775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.11463111,
"band_gap": 0.0671000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.151000Z",
"spacegroup": 71
},
{
"id": "mp-1096593",
"created_at": "2022-09-04T14:45:19.777629Z",
"structure_string": "La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Hg"
],
"chemical_system": "Hg-La-Y",
"density": 0.7452714966998385,
"density_atomic": 0.002854176022075029,
"volume": 1401.4552603143024,
"volume_molar": 210.9940211613793,
"formula_full": "La1 Y1 Hg2",
"formula_reduced": "LaYHg2",
"formula_anonymous": "ABC2",
"energy": -5.11738187,
"energy_per_atom": -1.2793454675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.11738187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.393317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.764000Z",
"spacegroup": 71
}
]
}