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&page=10377",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10375",
"results": [
{
"id": "mp-1184121",
"created_at": "2022-09-04T14:43:19.209573Z",
"structure_string": "Cu1 Ru3\n1.0\n-1.859349 1.859349 3.925476\n1.859349 -1.859349 3.925476\n1.859349 1.859349 -3.925476\nCu Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Ru"
],
"chemical_system": "Cu-Ru",
"density": 11.218949110779977,
"density_atomic": 0.07368614637278395,
"volume": 54.28428811792774,
"volume_molar": 8.172690602563907,
"formula_full": "Cu1 Ru3",
"formula_reduced": "CuRu3",
"formula_anonymous": "AB3",
"energy": -30.82292316,
"energy_per_atom": -7.70573079,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82292316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0435932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.693000Z",
"spacegroup": 139
},
{
"id": "mp-546862",
"created_at": "2022-09-04T14:45:12.766728Z",
"structure_string": "Hg1 Pb2 Cl2 O2\n1.0\n1.996263 5.991942 0.000000\n-1.996263 5.991942 0.000000\n0.000000 4.246020 6.675071\nHg Pb Cl O\n1 2 2 2\ndirect\n0.000000 0.000000 0.500000 Hg\n0.182725 0.182725 0.745176 Pb\n0.817275 0.817275 0.254824 Pb\n0.566682 0.566682 0.165900 Cl\n0.433318 0.433318 0.834100 Cl\n0.806588 0.806588 0.566713 O\n0.193412 0.193412 0.433287 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hg",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O-Pb",
"density": 7.465152115547622,
"density_atomic": 0.04383558398127808,
"volume": 159.6876182370391,
"volume_molar": 13.73801878075132,
"formula_full": "Hg1 Pb2 Cl2 O2",
"formula_reduced": "HgPb2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy": -30.821707159999995,
"energy_per_atom": -4.403101022857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.21970716,
"band_gap": 2.2693,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.545000Z",
"spacegroup": 12
},
{
"id": "mp-1206129",
"created_at": "2022-09-04T14:42:20.854438Z",
"structure_string": "Rb1 As2 Ru2\n1.0\n-2.076971 2.076971 6.885608\n2.076971 -2.076971 6.885608\n2.076971 2.076971 -6.885608\nRb As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.342412 0.342412 0.000000 As\n0.657588 0.657588 0.000000 As\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"As",
"Ru"
],
"chemical_system": "As-Rb-Ru",
"density": 6.1138581727764,
"density_atomic": 0.04208301560158689,
"volume": 118.81277823187787,
"volume_molar": 14.31014549198065,
"formula_full": "Rb1 As2 Ru2",
"formula_reduced": "Rb(AsRu)2",
"formula_anonymous": "AB2C2",
"energy": -30.82168488,
"energy_per_atom": -6.1643369759999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82168488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.837000Z",
"spacegroup": 139
},
{
"id": "mp-752474",
"created_at": "2022-09-04T14:44:17.399778Z",
"structure_string": "Nb1 O1 F2\n1.0\n-1.704894 1.944452 4.749030\n1.704894 -1.944452 4.749030\n1.704894 1.944452 -4.749030\nNb O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 O\n0.133552 0.633552 0.500000 F\n0.866448 0.366448 0.500000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.873637942581713,
"density_atomic": 0.06351853571331102,
"volume": 62.973743885625424,
"volume_molar": 9.480918746585642,
"formula_full": "Nb1 O1 F2",
"formula_reduced": "NbOF2",
"formula_anonymous": "ABC2",
"energy": -30.82154379,
"energy_per_atom": -7.7053859475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21054379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.027000Z",
"spacegroup": 71
},
{
"id": "mp-1147540",
"created_at": "2022-09-04T14:41:59.351898Z",
"structure_string": "Ba2 Cu1 S2 Br2\n1.0\n0.001757 -3.591226 -3.590931\n0.001750 -3.591221 3.590927\n-7.709484 3.594994 0.000009\nBa Cu S Br\n2 1 2 2\ndirect\n0.650000 0.650001 0.300018 Ba\n0.350000 0.349999 0.699982 Ba\n0.000000 0.000000 0.000000 Cu\n0.844206 0.844206 0.688097 S\n0.155794 0.155794 0.311903 S\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"S",
"Br"
],
"chemical_system": "Ba-Br-Cu-S",
"density": 4.695548988655712,
"density_atomic": 0.03521213630007694,
"volume": 198.7950955416671,
"volume_molar": 17.102457824993824,
"formula_full": "Ba2 Cu1 S2 Br2",
"formula_reduced": "Ba2Cu(SBr)2",
"formula_anonymous": "AB2C2D2",
"energy": -30.81943911,
"energy_per_atom": -4.402777015714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.74543911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.317000Z",
"spacegroup": 139
},
{
"id": "mp-20242",
"created_at": "2022-09-04T14:40:26.127744Z",
"structure_string": "Rb2 Mn2 As2\n1.0\n4.485616 0.000000 0.000000\n0.000000 4.485616 0.000000\n0.000000 0.000000 8.399636\nRb Mn As\n2 2 2\ndirect\n0.000000 0.500000 0.653865 Rb\n0.500000 0.000000 0.346135 Rb\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.163440 As\n0.500000 0.000000 0.836560 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"As"
],
"chemical_system": "As-Mn-Rb",
"density": 4.231300114502648,
"density_atomic": 0.03550149154857374,
"volume": 169.006983602103,
"volume_molar": 16.963064077914602,
"formula_full": "Rb2 Mn2 As2",
"formula_reduced": "RbMnAs",
"formula_anonymous": "ABC",
"energy": -30.81870643,
"energy_per_atom": -5.1364510716666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81870643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9219842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.581000Z",
"spacegroup": 129
},
{
"id": "mp-1017627",
"created_at": "2022-09-04T14:48:16.802226Z",
"structure_string": "Lu3 Al1 N1\n1.0\n4.637261 0.000000 0.000000\n0.000000 4.637261 0.000000\n0.000000 0.000000 4.637261\nLu Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Lu",
"Al",
"N"
],
"chemical_system": "Al-Lu-N",
"density": 9.423145833594639,
"density_atomic": 0.050140121741771855,
"volume": 99.72053968577599,
"volume_molar": 12.010622533018184,
"formula_full": "Lu3 Al1 N1",
"formula_reduced": "Lu3AlN",
"formula_anonymous": "ABC3",
"energy": -30.81804168,
"energy_per_atom": -6.163608336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.45704168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.277000Z",
"spacegroup": 221
},
{
"id": "mp-1246439",
"created_at": "2022-09-04T14:42:52.991863Z",
"structure_string": "Li2 Ru1 N2\n1.0\n3.164205 -0.000225 -0.000107\n-1.582298 2.740233 0.000101\n-0.000178 0.000087 5.211450\nLi Ru N\n2 1 2\ndirect\n0.666651 0.333335 0.360180 Li\n0.333349 0.666665 0.639820 Li\n0.000000 0.000000 0.000000 Ru\n0.666684 0.333324 0.786989 N\n0.333316 0.666676 0.213011 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ru",
"N"
],
"chemical_system": "Li-N-Ru",
"density": 5.253965229322123,
"density_atomic": 0.11065655805550734,
"volume": 45.18485020555139,
"volume_molar": 5.442190563146908,
"formula_full": "Li2 Ru1 N2",
"formula_reduced": "Li2RuN2",
"formula_anonymous": "AB2C2",
"energy": -30.817651830000003,
"energy_per_atom": -6.163530366000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.09565183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0096709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.595000Z",
"spacegroup": 164
},
{
"id": "mp-1071868",
"created_at": "2022-09-04T14:47:00.538794Z",
"structure_string": "K2 N4\n1.0\n1.481873 -5.416924 0.000000\n1.481873 5.416924 0.000000\n0.000000 0.000000 5.631879\nK N\n2 4\ndirect\n0.124927 0.875073 0.780455 K\n0.875073 0.124927 0.280455 K\n0.140249 0.859751 0.283926 N\n0.859751 0.140249 0.783926 N\n0.387176 0.612824 0.812619 N\n0.612824 0.387176 0.312619 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"N"
],
"chemical_system": "K-N",
"density": 2.4650758919888767,
"density_atomic": 0.06635966907753654,
"volume": 90.41636408688879,
"volume_molar": 9.075001192310888,
"formula_full": "K2 N4",
"formula_reduced": "KN2",
"formula_anonymous": "AB2",
"energy": -30.81755077,
"energy_per_atom": -5.136258461666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.37355077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.728000Z",
"spacegroup": 36
},
{
"id": "mp-1185904",
"created_at": "2022-09-04T14:41:22.558568Z",
"structure_string": "Mg1 Nb3\n1.0\n-2.230995 2.230995 3.695127\n2.230995 -2.230995 3.695127\n2.230995 2.230995 -3.695127\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Nb\n0.750000 0.250000 0.500000 Nb\n0.250000 0.750000 0.500000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.839742786189844,
"density_atomic": 0.05437176567499101,
"volume": 73.56759432662403,
"volume_molar": 11.075860210237684,
"formula_full": "Mg1 Nb3",
"formula_reduced": "MgNb3",
"formula_anonymous": "AB3",
"energy": -30.81449212,
"energy_per_atom": -7.70362303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81449212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.781000Z",
"spacegroup": 139
},
{
"id": "mp-1026762",
"created_at": "2022-09-04T14:40:29.983191Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.581977 0.124286 0.000000\n-3.183353 5.513729 0.000000\n0.000000 0.000000 10.353472\nLa Mg Ga\n1 14 1\ndirect\n0.144247 0.322123 0.125000 La\n0.166239 0.333119 0.625000 Mg\n0.159536 0.829767 0.625000 Mg\n0.640302 0.312685 0.125000 Mg\n0.666658 0.339158 0.625000 Mg\n0.640302 0.827615 0.125000 Mg\n0.666658 0.827498 0.625000 Mg\n0.339297 0.166133 0.382850 Mg\n0.339297 0.166133 0.867150 Mg\n0.339297 0.673165 0.382850 Mg\n0.339297 0.673165 0.867150 Mg\n0.828103 0.164052 0.387981 Mg\n0.828103 0.164052 0.862019 Mg\n0.849159 0.674580 0.356112 Mg\n0.849159 0.674580 0.893888 Mg\n0.204348 0.852174 0.125000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ga"
],
"chemical_system": "Ga-La-Mg",
"density": 2.3996299938818337,
"density_atomic": 0.04212337367256504,
"volume": 379.83662287764014,
"volume_molar": 14.296435054826157,
"formula_full": "La1 Mg14 Ga1",
"formula_reduced": "LaMg14Ga",
"formula_anonymous": "ABC14",
"energy": -30.81403399,
"energy_per_atom": -1.925877124375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81403399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.557000Z",
"spacegroup": 38
},
{
"id": "mp-1077095",
"created_at": "2022-09-04T14:45:23.500773Z",
"structure_string": "Lu1 Cd1 Ni4\n1.0\n0.000000 3.480609 3.480609\n3.480609 0.000000 3.480609\n3.480609 3.480609 0.000000\nLu Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Cd\n0.625658 0.625658 0.123026 Ni\n0.625658 0.123026 0.625658 Ni\n0.123026 0.625658 0.625658 Ni\n0.625658 0.625658 0.625658 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Cd",
"Ni"
],
"chemical_system": "Cd-Lu-Ni",
"density": 10.281346559791048,
"density_atomic": 0.07114682732769587,
"volume": 84.332643146047,
"volume_molar": 8.46438412813907,
"formula_full": "Lu1 Cd1 Ni4",
"formula_reduced": "LuCdNi4",
"formula_anonymous": "ABC4",
"energy": -30.81315766,
"energy_per_atom": -5.135526276666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81315766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.018272,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.410000Z",
"spacegroup": 216
}
]
}