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=density_atomic&page=91",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=89",
"results": [
{
"id": "mp-1097241",
"created_at": "2022-09-04T14:46:51.982556Z",
"structure_string": "Mg2 Hg1 Au1\n1.0\n-5.447963 5.777092 8.165628\n5.447963 -5.777092 8.165628\n5.447963 5.777092 -8.165628\nMg Hg Au\n2 1 1\ndirect\n0.000000 0.238461 0.238461 Mg\n0.000000 0.761539 0.761539 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Mg",
"density": 0.7206976530699131,
"density_atomic": 0.0038910514729206653,
"volume": 1027.9997650603057,
"volume_molar": 154.76898216100227,
"formula_full": "Mg2 Hg1 Au1",
"formula_reduced": "Mg2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.28113652,
"energy_per_atom": -1.07028413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.28113652,
"band_gap": 0.0025999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.600000Z",
"spacegroup": 71
},
{
"id": "mp-1096527",
"created_at": "2022-09-04T14:47:39.788739Z",
"structure_string": "La1 Y1 Cu2\n1.0\n-5.220401 5.707271 8.624077\n5.220401 -5.707271 8.624077\n5.220401 5.707271 -8.624077\nLa Y Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250989 0.250989 Cu\n0.000000 0.749011 0.749011 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Cu"
],
"chemical_system": "Cu-La-Y",
"density": 0.5733953725662597,
"density_atomic": 0.003891840342231755,
"volume": 1027.7913912846234,
"volume_molar": 154.737610755806,
"formula_full": "La1 Y1 Cu2",
"formula_reduced": "LaYCu2",
"formula_anonymous": "ABC2",
"energy": -10.9364035,
"energy_per_atom": -2.734100875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.9364035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3808595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.125000Z",
"spacegroup": 71
},
{
"id": "mp-1096253",
"created_at": "2022-09-04T14:41:59.218476Z",
"structure_string": "Li2 Zn1 Cd1\n1.0\n-5.658673 5.675490 8.000385\n5.658673 -5.675490 8.000385\n5.658673 5.675490 -8.000385\nLi Zn Cd\n2 1 1\ndirect\n0.246062 0.000000 0.246062 Li\n0.753938 0.000000 0.753938 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 0.3097325887238335,
"density_atomic": 0.0038919849514323394,
"volume": 1027.7532030353582,
"volume_molar": 154.73186138049465,
"formula_full": "Li2 Zn1 Cd1",
"formula_reduced": "Li2ZnCd",
"formula_anonymous": "ABC2",
"energy": -2.72686733,
"energy_per_atom": -0.6817168325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72686733,
"band_gap": 0.6759999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.026000Z",
"spacegroup": 71
},
{
"id": "mp-1096277",
"created_at": "2022-09-04T14:40:59.995176Z",
"structure_string": "Cd1 Pd2 Pb1\n1.0\n-5.242630 5.886405 8.324783\n5.242630 -5.886405 8.324783\n5.242630 5.886405 -8.324783\nCd Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.257755 0.257755 Pd\n0.000000 0.742245 0.742245 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Pb"
],
"chemical_system": "Cd-Pb-Pd",
"density": 0.86039223797636,
"density_atomic": 0.003892492017252772,
"volume": 1027.6193200321845,
"volume_molar": 154.71170482323257,
"formula_full": "Cd1 Pd2 Pb1",
"formula_reduced": "CdPd2Pb",
"formula_anonymous": "ABC2",
"energy": -10.09883345,
"energy_per_atom": -2.5247083625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.09883345,
"band_gap": 0.5979999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.354000Z",
"spacegroup": 71
},
{
"id": "mp-1093793",
"created_at": "2022-09-04T14:42:27.870236Z",
"structure_string": "Ti2 Be1 Tc1\n1.0\n-4.753049 6.075419 8.893136\n4.753049 -6.075419 8.893136\n4.753049 6.075419 -8.893136\nTi Be Tc\n2 1 1\ndirect\n0.000000 0.277440 0.277440 Ti\n0.000000 0.722560 0.722560 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Tc"
],
"chemical_system": "Be-Tc-Ti",
"density": 0.32774670200123024,
"density_atomic": 0.003894005311052937,
"volume": 1027.219965172159,
"volume_molar": 154.65158054372597,
"formula_full": "Ti2 Be1 Tc1",
"formula_reduced": "Ti2BeTc",
"formula_anonymous": "ABC2",
"energy": -17.09748212,
"energy_per_atom": -4.27437053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.09748212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.23128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.606000Z",
"spacegroup": 71
},
{
"id": "mp-1208352",
"created_at": "2022-09-04T14:45:35.240890Z",
"structure_string": "Th2 P1 S2\n1.0\n6.971650 0.000000 0.000000\n0.000000 6.971650 0.000000\n0.000000 0.000000 26.385452\nTh P S\n2 1 2\ndirect\n0.500000 0.500000 0.275207 Th\n0.500000 0.500000 0.724793 Th\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.636673 S\n0.500000 0.500000 0.363327 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"P",
"S"
],
"chemical_system": "P-S-Th",
"density": 0.7240439772377881,
"density_atomic": 0.0038988301342921176,
"volume": 1282.4359686826454,
"volume_molar": 154.46019838187686,
"formula_full": "Th2 P1 S2",
"formula_reduced": "Th2PS2",
"formula_anonymous": "AB2C2",
"energy": -20.922864839999995,
"energy_per_atom": -4.1845729679999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.91686484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9967041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.564000Z",
"spacegroup": 123
},
{
"id": "mp-1212644",
"created_at": "2022-09-04T14:39:37.229667Z",
"structure_string": "Na3 Tl1 O6\n1.0\n4.508807 -7.135542 0.000000\n4.508807 7.135542 0.000000\n0.000000 0.000000 39.845374\nNa Tl O\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.250340 O\n0.000000 0.000000 0.749660 O\n0.252558 0.014744 0.000000 O\n0.747442 0.985256 0.000000 O\n0.014744 0.252558 0.000000 O\n0.985256 0.747442 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 0.23921561133053493,
"density_atomic": 0.003900349136835438,
"volume": 2563.873040379543,
"volume_molar": 154.40004339934774,
"formula_full": "Na3 Tl1 O6",
"formula_reduced": "Na3TlO6",
"formula_anonymous": "AB3C6",
"energy": -33.762032340000005,
"energy_per_atom": -3.3762032340000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.64003234,
"band_gap": 0.0243999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3346888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.268000Z",
"spacegroup": 65
},
{
"id": "mp-1096408",
"created_at": "2022-09-04T14:40:04.972645Z",
"structure_string": "Li2 Mg1 Ga1\n1.0\n-5.654088 5.769143 7.853717\n5.654088 -5.769143 7.853717\n5.654088 5.769143 -7.853717\nLi Mg Ga\n2 1 1\ndirect\n0.262825 0.000000 0.262825 Li\n0.737175 0.000000 0.737175 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 0.1748645132233259,
"density_atomic": 0.003903470347228855,
"volume": 1024.7291881798649,
"volume_molar": 154.27658530249187,
"formula_full": "Li2 Mg1 Ga1",
"formula_reduced": "Li2MgGa",
"formula_anonymous": "ABC2",
"energy": -3.87996639,
"energy_per_atom": -0.9699915975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.87996639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0015322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.326000Z",
"spacegroup": 71
},
{
"id": "mp-1093550",
"created_at": "2022-09-04T14:46:36.187894Z",
"structure_string": "Ca1 Sb1 Pd2\n1.0\n-4.968552 6.008016 8.578464\n4.968552 -6.008016 8.578464\n4.968552 6.008016 -8.578464\nCa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.246030 0.246030 Pd\n0.000000 0.753970 0.753970 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Pd"
],
"chemical_system": "Ca-Pd-Sb",
"density": 0.6074028794582432,
"density_atomic": 0.0039050765077116175,
"volume": 1024.3077164047697,
"volume_molar": 154.21313124359213,
"formula_full": "Ca1 Sb1 Pd2",
"formula_reduced": "CaSbPd2",
"formula_anonymous": "ABC2",
"energy": -11.62453303,
"energy_per_atom": -2.9061332575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.62453303,
"band_gap": 0.0245999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.002453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.264000Z",
"spacegroup": 71
},
{
"id": "mp-1096552",
"created_at": "2022-09-04T14:43:38.608374Z",
"structure_string": "Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"In"
],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
"volume_molar": 154.19901540538024,
"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.84474231,
"energy_per_atom": -0.9611855775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84474231,
"band_gap": 0.0024000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0012004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1096330",
"created_at": "2022-09-04T14:47:25.764481Z",
"structure_string": "Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Li",
"density": 0.8372615481917002,
"density_atomic": 0.003908691808191634,
"volume": 1023.3602945151641,
"volume_molar": 154.07049354413437,
"formula_full": "Li1 Ag1 Hg2",
"formula_reduced": "LiAgHg2",
"formula_anonymous": "ABC2",
"energy": -3.43945336,
"energy_per_atom": -0.85986334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.43945336,
"band_gap": 1.0433999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.904000Z",
"spacegroup": 71
},
{
"id": "mp-1096514",
"created_at": "2022-09-04T14:40:05.978184Z",
"structure_string": "Ti1 Re2 Mo1\n1.0\n-4.694319 6.298739 8.650875\n4.694319 -6.298739 8.650875\n4.694319 6.298739 -8.650875\nTi Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.254692 0.254692 Re\n0.000000 0.745308 0.745308 Re\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-Ti",
"density": 0.8377964691277149,
"density_atomic": 0.003909432794916635,
"volume": 1023.1663286810117,
"volume_molar": 154.04129130523694,
"formula_full": "Ti1 Re2 Mo1",
"formula_reduced": "TiRe2Mo",
"formula_anonymous": "ABC2",
"energy": -26.03427302,
"energy_per_atom": -6.508568255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.03427302,
"band_gap": 0.1015999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.892000Z",
"spacegroup": 71
}
]
}