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=-volume&page=10366",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10364",
"results": [
{
"id": "mp-8120",
"created_at": "2022-09-04T14:48:19.847875Z",
"structure_string": "Nd2 Cu2 Si2\n1.0\n2.107223 -3.649816 0.000000\n2.107223 3.649816 0.000000\n0.000000 0.000000 7.926367\nNd Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Si"
],
"chemical_system": "Cu-Nd-Si",
"density": 6.424992180023874,
"density_atomic": 0.049211387421699636,
"volume": 121.92300023133092,
"volume_molar": 12.237291154576456,
"formula_full": "Nd2 Cu2 Si2",
"formula_reduced": "NdCuSi",
"formula_anonymous": "ABC",
"energy": -32.143063129999994,
"energy_per_atom": -5.357177188333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.28506313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:06.705000Z",
"spacegroup": 194
},
{
"id": "mp-1064405",
"created_at": "2022-09-04T14:48:27.698089Z",
"structure_string": "Zn2 Bi2\n1.0\n2.353272 -4.075987 0.000000\n2.353272 4.075987 0.000000\n0.000000 0.000000 6.355445\nZn Bi\n2 2\ndirect\n0.333333 0.666667 0.537404 Zn\n0.666667 0.333333 0.037404 Zn\n0.333333 0.666667 0.080596 Bi\n0.666667 0.333333 0.580596 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Bi"
],
"chemical_system": "Bi-Zn",
"density": 7.474214289757465,
"density_atomic": 0.03280795142879254,
"volume": 121.92166306639815,
"volume_molar": 18.355735416978575,
"formula_full": "Zn2 Bi2",
"formula_reduced": "ZnBi",
"formula_anonymous": "AB",
"energy": -9.34184591,
"energy_per_atom": -2.3354614775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.34184591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:25.123000Z",
"spacegroup": 186
},
{
"id": "mp-1397377",
"created_at": "2022-09-04T14:42:12.362988Z",
"structure_string": "Mg1 Sb1 F6\n1.0\n4.938987 -2.742841 0.000000\n4.938987 2.742841 0.000000\n3.415764 0.000000 4.499926\nMg Sb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.656430 0.838740 0.250912 F\n0.838740 0.250912 0.656430 F\n0.749088 0.343570 0.161260 F\n0.161260 0.749088 0.343570 F\n0.343570 0.161260 0.749088 F\n0.250912 0.656430 0.838740 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"F"
],
"chemical_system": "F-Mg-Sb",
"density": 3.5419393669134767,
"density_atomic": 0.0656169596586033,
"volume": 121.91969944390877,
"volume_molar": 9.177719893351403,
"formula_full": "Mg1 Sb1 F6",
"formula_reduced": "MgSbF6",
"formula_anonymous": "ABC6",
"energy": -41.351768,
"energy_per_atom": -5.168971,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.579768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6560599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.104000Z",
"spacegroup": 148
},
{
"id": "mp-22274",
"created_at": "2022-09-04T14:44:16.689966Z",
"structure_string": "Ho2 Ti2 Si2\n1.0\n4.020942 0.000000 0.000000\n0.000000 4.020942 0.000000\n0.000000 0.000000 7.540749\nHo Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344315 Ho\n0.500000 0.000000 0.655685 Ho\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.760645 Si\n0.500000 0.000000 0.239355 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"Si"
],
"chemical_system": "Ho-Si-Ti",
"density": 6.561676532440618,
"density_atomic": 0.04921314817752685,
"volume": 121.9186380508755,
"volume_molar": 12.236853326831072,
"formula_full": "Ho2 Ti2 Si2",
"formula_reduced": "HoTiSi",
"formula_anonymous": "ABC",
"energy": -39.61641055,
"energy_per_atom": -6.602735091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.75841055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.427000Z",
"spacegroup": 129
},
{
"id": "mp-27769",
"created_at": "2022-09-04T14:43:24.147687Z",
"structure_string": "V6 As2 C2\n1.0\n1.559548 -5.081873 0.000000\n1.559548 5.081873 0.000000\n0.000000 0.000000 7.691238\nV As C\n6 2 2\ndirect\n0.873465 0.126535 0.550947 V\n0.454710 0.545290 0.250000 V\n0.545290 0.454710 0.750000 V\n0.873465 0.126535 0.949053 V\n0.126535 0.873465 0.050947 V\n0.126535 0.873465 0.449053 V\n0.758358 0.241642 0.250000 As\n0.241642 0.758358 0.750000 As\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"As",
"C"
],
"chemical_system": "As-C-V",
"density": 6.531323977751949,
"density_atomic": 0.0820259370261403,
"volume": 121.91265790494006,
"volume_molar": 7.341751863292758,
"formula_full": "V6 As2 C2",
"formula_reduced": "V3AsC",
"formula_anonymous": "ABC3",
"energy": -87.44546,
"energy_per_atom": -8.744546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.44546,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.502000Z",
"spacegroup": 63
},
{
"id": "mp-20315",
"created_at": "2022-09-04T14:42:39.890182Z",
"structure_string": "Ti4 In2 C2\n1.0\n1.573306 -2.725047 0.000000\n1.573306 2.725047 0.000000\n0.000000 0.000000 14.217167\nTi In C\n4 2 2\ndirect\n0.333333 0.666667 0.078250 Ti\n0.333333 0.666667 0.421750 Ti\n0.666667 0.333333 0.578250 Ti\n0.666667 0.333333 0.921750 Ti\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"In",
"C"
],
"chemical_system": "C-In-Ti",
"density": 6.06319055995977,
"density_atomic": 0.06562355151047179,
"volume": 121.90745267304546,
"volume_molar": 9.176797996126474,
"formula_full": "Ti4 In2 C2",
"formula_reduced": "Ti2InC",
"formula_anonymous": "ABC2",
"energy": -60.88923856,
"energy_per_atom": -7.61115482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.88923856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.329000Z",
"spacegroup": 194
},
{
"id": "mp-6961",
"created_at": "2022-09-04T14:39:09.444455Z",
"structure_string": "Sr1 Sb2 Pd2\n1.0\n-2.346007 2.346007 5.537326\n2.346007 -2.346007 5.537326\n2.346007 2.346007 -5.537326\nSr Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.367919 0.367919 0.000000 Sb\n0.632081 0.632081 0.000000 Sb\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sr",
"density": 7.409916925476726,
"density_atomic": 0.041015811942119396,
"volume": 121.90420628648992,
"volume_molar": 14.682485789866384,
"formula_full": "Sr1 Sb2 Pd2",
"formula_reduced": "Sr(SbPd)2",
"formula_anonymous": "AB2C2",
"energy": -24.44967967,
"energy_per_atom": -4.8899359339999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.06567967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.778000Z",
"spacegroup": 139
},
{
"id": "mp-22389",
"created_at": "2022-09-04T14:44:49.764197Z",
"structure_string": "Mn6 Sn2\n1.0\n2.795535 -4.842009 0.000000\n2.795535 4.842009 0.000000\n0.000000 0.000000 4.502617\nMn Sn\n6 2\ndirect\n0.161934 0.838066 0.250000 Mn\n0.161934 0.323868 0.250000 Mn\n0.676132 0.838066 0.250000 Mn\n0.838066 0.161934 0.750000 Mn\n0.838066 0.676132 0.750000 Mn\n0.323868 0.161934 0.750000 Mn\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 7.724735157020769,
"density_atomic": 0.06563031040073665,
"volume": 121.89489812180146,
"volume_molar": 9.175852930191851,
"formula_full": "Mn6 Sn2",
"formula_reduced": "Mn3Sn",
"formula_anonymous": "AB3",
"energy": -61.59116244,
"energy_per_atom": -7.698895305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.59116244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9499526,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.545000Z",
"spacegroup": 194
},
{
"id": "mp-1018706",
"created_at": "2022-09-04T14:41:09.747711Z",
"structure_string": "Gd2 S4\n1.0\n3.894416 0.000000 0.000000\n0.000000 3.894416 0.000000\n0.000000 0.000000 8.036793\nGd S\n2 4\ndirect\n0.000000 0.500000 0.726019 Gd\n0.500000 0.000000 0.273981 Gd\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.366697 S\n0.500000 0.000000 0.633303 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"S"
],
"chemical_system": "Gd-S",
"density": 6.0318427648657185,
"density_atomic": 0.049224780266639186,
"volume": 121.889827999219,
"volume_molar": 12.233961690391434,
"formula_full": "Gd2 S4",
"formula_reduced": "GdS2",
"formula_anonymous": "AB2",
"energy": -56.76035827,
"energy_per_atom": -9.460059711666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.74835827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9643303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.471000Z",
"spacegroup": 129
},
{
"id": "mp-1114229",
"created_at": "2022-09-04T14:47:59.574813Z",
"structure_string": "Na2 Li1 V1 F6\n1.0\n5.565286 0.000000 0.000000\n2.782643 4.819679 0.000000\n2.782643 1.606560 4.544037\nNa Li V F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.246664 0.753336 0.246664 F\n0.753336 0.753336 0.246664 F\n0.753336 0.246664 0.753336 F\n0.753336 0.246664 0.246664 F\n0.246664 0.753336 0.753336 F\n0.246664 0.246664 0.753336 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"V",
"F"
],
"chemical_system": "F-Li-Na-V",
"density": 2.968001392848591,
"density_atomic": 0.08204507928700014,
"volume": 121.88421398215989,
"volume_molar": 7.34003893022527,
"formula_full": "Na2 Li1 V1 F6",
"formula_reduced": "Na2LiVF6",
"formula_anonymous": "ABC2D6",
"energy": -55.31407474,
"energy_per_atom": -5.531407474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.84207474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.320000Z",
"spacegroup": 225
},
{
"id": "mp-568564",
"created_at": "2022-09-04T14:45:01.482480Z",
"structure_string": "V6 Cd2\n1.0\n4.958050 0.000000 0.000000\n0.000000 4.958050 0.000000\n0.000000 0.000000 4.958050\nV Cd\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.000000 0.500000 0.750000 V\n0.750000 0.000000 0.500000 V\n0.500000 0.750000 0.000000 V\n0.000000 0.500000 0.250000 V\n0.250000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Cd"
],
"chemical_system": "Cd-V",
"density": 7.227332540679331,
"density_atomic": 0.06563829335717175,
"volume": 121.88007321378514,
"volume_molar": 9.174736959156496,
"formula_full": "V6 Cd2",
"formula_reduced": "V3Cd",
"formula_anonymous": "AB3",
"energy": -53.69528652,
"energy_per_atom": -6.711910815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.69528652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3602773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.804000Z",
"spacegroup": 223
},
{
"id": "mp-1094562",
"created_at": "2022-09-04T14:43:35.369878Z",
"structure_string": "Li4 Mg2\n1.0\n1.526998 -7.929456 0.000000\n1.526998 7.929456 0.000000\n0.000000 0.000000 5.032142\nLi Mg\n4 2\ndirect\n0.999501 0.000499 0.000000 Li\n0.333292 0.666708 0.000000 Li\n0.666603 0.333397 0.000000 Li\n0.444427 0.555573 0.500000 Li\n0.109823 0.890177 0.500000 Mg\n0.779686 0.220314 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0407103868074514,
"density_atomic": 0.04923642424317987,
"volume": 121.86100213869831,
"volume_molar": 12.231068467231706,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy": -10.94301775,
"energy_per_atom": -1.8238362916666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.94301775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.296000Z",
"spacegroup": 38
}
]
}