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=-nsites&page=10160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10158",
"results": [
{
"id": "mp-1094837",
"created_at": "2022-09-04T14:41:56.378483Z",
"structure_string": "Ce4 Mg2\n1.0\n1.614993 6.496288 0.000000\n-1.614993 6.496288 0.000000\n0.000000 1.767563 7.529010\nCe Mg\n4 2\ndirect\n0.798419 0.798419 0.142696 Ce\n0.138192 0.138192 0.466515 Ce\n0.861808 0.861808 0.533485 Ce\n0.201581 0.201581 0.857304 Ce\n0.527760 0.527760 0.185675 Mg\n0.472240 0.472240 0.814325 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.401995641807435,
"density_atomic": 0.03797934462465406,
"volume": 157.98060917842,
"volume_molar": 15.856357763716554,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.38190462,
"energy_per_atom": -4.396984103333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.38190462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3241135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.900000Z",
"spacegroup": 12
},
{
"id": "mp-19177",
"created_at": "2022-09-04T14:41:55.792800Z",
"structure_string": "Cr2 O4\n1.0\n0.000027 -0.000027 2.987318\n4.490944 -0.000288 0.000041\n-0.000288 4.490943 -0.000041\nCr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.499999 0.198193 0.801806 O\n0.500001 0.801806 0.198194 O\n0.000000 0.301794 0.301794 O\n0.000000 0.698206 0.698206 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.629940118295539,
"density_atomic": 0.09958515735734765,
"volume": 60.2499424534705,
"volume_molar": 6.047227237278319,
"formula_full": "Cr2 O4",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy": -51.38414413,
"energy_per_atom": -8.564024021666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.63814413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0004071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.066000Z",
"spacegroup": 136
},
{
"id": "mp-2537",
"created_at": "2022-09-04T14:41:56.351425Z",
"structure_string": "Nd2 S4\n1.0\n0.000000 3.959002 3.959002\n3.959002 0.000000 3.959002\n3.959002 3.959002 0.000000\nNd S\n2 4\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n0.125000 0.125000 0.125000 S\n0.625000 0.125000 0.125000 S\n0.125000 0.625000 0.125000 S\n0.125000 0.125000 0.625000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"S"
],
"chemical_system": "Nd-S",
"density": 5.576109508421135,
"density_atomic": 0.048346394474052735,
"volume": 124.104394242267,
"volume_molar": 12.456235517691091,
"formula_full": "Nd2 S4",
"formula_reduced": "NdS2",
"formula_anonymous": "AB2",
"energy": -29.36217019,
"energy_per_atom": -4.893695031666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.35017019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0323104,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.349000Z",
"spacegroup": 227
},
{
"id": "mp-1594",
"created_at": "2022-09-04T14:42:02.130436Z",
"structure_string": "Ni4 Ge2\n1.0\n2.004410 -3.471741 0.000000\n2.004410 3.471741 0.000000\n0.000000 0.000000 5.093227\nNi Ge\n4 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni",
"density": 8.903013680145172,
"density_atomic": 0.08464364224714847,
"volume": 70.88541845211218,
"volume_molar": 7.1146994625020135,
"formula_full": "Ni4 Ge2",
"formula_reduced": "Ni2Ge",
"formula_anonymous": "AB2",
"energy": -34.01517807,
"energy_per_atom": -5.669196345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.01517807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001969,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.115000Z",
"spacegroup": 194
},
{
"id": "mp-12769",
"created_at": "2022-09-04T14:42:14.327497Z",
"structure_string": "Y2 Si4\n1.0\n-1.997650 1.997650 7.291126\n1.997650 -1.997650 7.291126\n1.997650 1.997650 -7.291126\nY Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.332433 0.832433 0.500000 Si\n0.417567 0.417567 0.000000 Si\n0.167567 0.667567 0.500000 Si\n0.582433 0.582433 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.139842478163755,
"density_atomic": 0.05155346453209773,
"volume": 116.38403072337334,
"volume_molar": 11.681350253871983,
"formula_full": "Y2 Si4",
"formula_reduced": "YSi2",
"formula_anonymous": "AB2",
"energy": -37.63751639,
"energy_per_atom": -6.272919398333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.92151639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.927000Z",
"spacegroup": 141
},
{
"id": "mp-569595",
"created_at": "2022-09-04T14:41:50.874394Z",
"structure_string": "Pb2 I4\n1.0\n15.203676 -2.337817 0.000000\n15.203676 2.337817 0.000000\n14.844198 0.000000 4.033230\nPb I\n2 4\ndirect\n0.416984 0.416984 0.416984 Pb\n0.583016 0.583016 0.583016 Pb\n0.875330 0.875330 0.875330 I\n0.124670 0.124670 0.124670 I\n0.709335 0.709335 0.709335 I\n0.290665 0.290665 0.290665 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.340062470782126,
"density_atomic": 0.020927104717767517,
"volume": 286.70951289816423,
"volume_molar": 28.77675073172968,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy": -19.03363994,
"energy_per_atom": -3.1722733233333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51763994,
"band_gap": 2.4080000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.521000Z",
"spacegroup": 166
},
{
"id": "mp-529",
"created_at": "2022-09-04T14:41:51.455502Z",
"structure_string": "Sm2 Mg4\n1.0\n0.000000 4.312342 4.312342\n4.312342 0.000000 4.312342\n4.312342 4.312342 0.000000\nSm Mg\n2 4\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 4.11999898146254,
"density_atomic": 0.03740947952856953,
"volume": 160.38715522406062,
"volume_molar": 16.097900414254372,
"formula_full": "Sm2 Mg4",
"formula_reduced": "SmMg2",
"formula_anonymous": "AB2",
"energy": -16.3637002,
"energy_per_atom": -2.7272833666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.3637002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.091000Z",
"spacegroup": 227
},
{
"id": "mp-1018851",
"created_at": "2022-09-04T14:41:50.995190Z",
"structure_string": "Os2 N4\n1.0\n1.517268 -2.627985 0.000000\n1.517268 2.627985 0.000000\n0.000000 0.000000 7.432615\nOs N\n2 4\ndirect\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n0.000000 0.000000 0.411971 N\n0.000000 0.000000 0.588029 N\n0.000000 0.000000 0.911971 N\n0.000000 0.000000 0.088029 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Os",
"N"
],
"chemical_system": "N-Os",
"density": 12.228224359188069,
"density_atomic": 0.1012265503030192,
"volume": 59.272986998363045,
"volume_molar": 5.949171182829869,
"formula_full": "Os2 N4",
"formula_reduced": "OsN2",
"formula_anonymous": "AB2",
"energy": -51.84285886,
"energy_per_atom": -8.640476476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.39885885999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.247000Z",
"spacegroup": 194
},
{
"id": "mp-973374",
"created_at": "2022-09-04T14:41:50.884071Z",
"structure_string": "Li2 Mg4\n1.0\n1.568831 -8.144221 0.000000\n1.568831 8.144221 0.000000\n0.000000 0.000000 5.066114\nLi Mg\n2 4\ndirect\n0.610924 0.389076 0.250000 Li\n0.389076 0.610924 0.750000 Li\n0.277666 0.722334 0.250000 Mg\n0.944758 0.055242 0.250000 Mg\n0.722334 0.277666 0.750000 Mg\n0.055242 0.944758 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4250834878810037,
"density_atomic": 0.04634688859824449,
"volume": 129.45852853274957,
"volume_molar": 12.993624690111568,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.56314551,
"energy_per_atom": -1.7605242516666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.56314551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.086000Z",
"spacegroup": 63
},
{
"id": "mp-1232237",
"created_at": "2022-09-04T14:41:51.487020Z",
"structure_string": "Sc2 Se4\n1.0\n3.950852 0.000000 0.000000\n0.000000 3.950852 0.000000\n0.000000 0.000000 7.933309\nSc Se\n2 4\ndirect\n0.000000 0.500000 0.726776 Sc\n0.500000 0.000000 0.273224 Sc\n0.000000 0.500000 0.373310 Se\n0.500000 0.000000 0.626690 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Se"
],
"chemical_system": "Sc-Se",
"density": 5.440936853953471,
"density_atomic": 0.0484524071227874,
"volume": 123.83285694753793,
"volume_molar": 12.428981587516956,
"formula_full": "Sc2 Se4",
"formula_reduced": "ScSe2",
"formula_anonymous": "AB2",
"energy": -36.1551721,
"energy_per_atom": -6.025862016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.2671721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.450000Z",
"spacegroup": 129
},
{
"id": "mp-1215458",
"created_at": "2022-09-04T14:42:11.430105Z",
"structure_string": "Yb1 Sc1 Al4\n1.0\n0.000000 3.886650 3.886650\n3.886650 0.000000 3.886650\n3.886650 3.886650 0.000000\nYb Sc Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Sc\n0.624825 0.624825 0.125525 Al\n0.624825 0.125525 0.624825 Al\n0.125525 0.624825 0.624825 Al\n0.624825 0.624825 0.624825 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Sc",
"Al"
],
"chemical_system": "Al-Sc-Yb",
"density": 4.6089985006601895,
"density_atomic": 0.05109694728518052,
"volume": 117.42384464795924,
"volume_molar": 11.78571535083972,
"formula_full": "Yb1 Sc1 Al4",
"formula_reduced": "YbScAl4",
"formula_anonymous": "ABC4",
"energy": -25.12495163,
"energy_per_atom": -4.187491938333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.12495163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.992000Z",
"spacegroup": 216
},
{
"id": "mp-1337",
"created_at": "2022-09-04T14:41:55.881077Z",
"structure_string": "Mo2 As4\n1.0\n1.665575 4.578617 0.000000\n-1.665575 4.578617 0.000000\n0.000000 3.793897 6.793954\nMo As\n2 4\ndirect\n0.653353 0.653353 0.298527 Mo\n0.346647 0.346647 0.701473 Mo\n0.353687 0.353687 0.032459 As\n0.646313 0.646313 0.967541 As\n0.097534 0.097534 0.606292 As\n0.902466 0.902466 0.393708 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"As"
],
"chemical_system": "As-Mo",
"density": 7.877350681896773,
"density_atomic": 0.05790287697286643,
"volume": 103.6217941780618,
"volume_molar": 10.400417172400612,
"formula_full": "Mo2 As4",
"formula_reduced": "MoAs2",
"formula_anonymous": "AB2",
"energy": -41.84252841,
"energy_per_atom": -6.973754735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.84252841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.102000Z",
"spacegroup": 12
}
]
}