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=10120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10118",
"results": [
{
"id": "mp-510098",
"created_at": "2022-09-04T14:41:12.248351Z",
"structure_string": "Eu1 Au5\n1.0\n2.846356 -4.930033 0.000000\n2.846356 4.930033 0.000000\n0.000000 0.000000 4.722859\nEu Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.666667 0.333333 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.500000 0.000000 0.500000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Au"
],
"chemical_system": "Au-Eu",
"density": 14.241572260760226,
"density_atomic": 0.04526653282239606,
"volume": 132.54825642469885,
"volume_molar": 13.30373762803518,
"formula_full": "Eu1 Au5",
"formula_reduced": "EuAu5",
"formula_anonymous": "AB5",
"energy": -29.2374829,
"energy_per_atom": -4.872913816666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.2374829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0477859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.269000Z",
"spacegroup": 191
},
{
"id": "mp-1225751",
"created_at": "2022-09-04T14:42:44.588269Z",
"structure_string": "Cu6 Pd4\n1.0\n2.980483 0.000000 0.000000\n0.000000 2.980483 0.000000\n0.000000 0.000000 14.920530\nCu Pd\n6 4\ndirect\n0.500000 0.500000 0.089743 Cu\n0.500000 0.500000 0.298360 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.701640 Cu\n0.500000 0.500000 0.910257 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.193804 Pd\n0.000000 0.000000 0.399297 Pd\n0.000000 0.000000 0.600703 Pd\n0.000000 0.000000 0.806196 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd",
"density": 10.109772998881585,
"density_atomic": 0.07544708270581285,
"volume": 132.54322952409592,
"volume_molar": 7.981939849790934,
"formula_full": "Cu6 Pd4",
"formula_reduced": "Cu3Pd2",
"formula_anonymous": "A2B3",
"energy": -46.37728923,
"energy_per_atom": -4.637728923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.37728923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.296000Z",
"spacegroup": 123
},
{
"id": "mp-1237266",
"created_at": "2022-09-04T14:42:57.769836Z",
"structure_string": "Ba2 Si2\n1.0\n1.738366 -6.533592 0.000000\n1.738366 6.533592 0.000000\n0.000000 0.000000 5.834731\nBa Si\n2 2\ndirect\n0.377432 0.622568 0.250000 Ba\n0.622568 0.377432 0.750000 Ba\n0.112701 0.887299 0.250000 Si\n0.887299 0.112701 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 4.144797854697584,
"density_atomic": 0.03017977010366292,
"volume": 132.53911432262765,
"volume_molar": 19.954230066414897,
"formula_full": "Ba2 Si2",
"formula_reduced": "BaSi",
"formula_anonymous": "AB",
"energy": -14.18166464,
"energy_per_atom": -3.54541616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.32366464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08Z",
"spacegroup": 63
},
{
"id": "mp-1226821",
"created_at": "2022-09-04T14:43:09.801629Z",
"structure_string": "Ca2 Al2 Ga2\n1.0\n2.279782 5.319987 0.000000\n-2.279782 5.319987 0.000000\n0.000000 4.995982 5.463890\nCa Al Ga\n2 2 2\ndirect\n0.546458 0.546458 0.200622 Ca\n0.453542 0.453542 0.799378 Ca\n0.162249 0.162249 0.403669 Al\n0.837751 0.837751 0.596331 Al\n0.839950 0.839950 0.218431 Ga\n0.160050 0.160050 0.781569 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.427472021248148,
"density_atomic": 0.04527051299379316,
"volume": 132.53660281743734,
"volume_molar": 13.30256796698034,
"formula_full": "Ca2 Al2 Ga2",
"formula_reduced": "CaAlGa",
"formula_anonymous": "ABC",
"energy": -20.04711557,
"energy_per_atom": -3.341185928333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.04711557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.027000Z",
"spacegroup": 12
},
{
"id": "mp-1235245",
"created_at": "2022-09-04T14:40:59.055734Z",
"structure_string": "Li1 Zr2 Se2 O2\n1.0\n4.153087 0.000000 0.000000\n0.000000 3.432463 0.000000\n0.000000 0.000000 9.297280\nLi Zr Se O\n1 2 2 2\ndirect\n0.250000 0.750000 0.321992 Li\n0.250000 0.250000 0.995106 Zr\n0.750000 0.750000 0.748497 Zr\n0.250000 0.250000 0.692903 Se\n0.750000 0.750000 0.456023 Se\n0.250000 0.750000 0.112266 O\n0.750000 0.250000 0.933213 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Zr",
"Se",
"O"
],
"chemical_system": "Li-O-Se-Zr",
"density": 4.752346160159348,
"density_atomic": 0.05281596705533269,
"volume": 132.5356779450132,
"volume_molar": 11.402121547241386,
"formula_full": "Li1 Zr2 Se2 O2",
"formula_reduced": "LiZr2(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy": -51.23806942,
"energy_per_atom": -7.319724202857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.92006942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.738000Z",
"spacegroup": 25
},
{
"id": "mp-759343",
"created_at": "2022-09-04T14:43:48.280586Z",
"structure_string": "Mn2 F8\n1.0\n2.961385 0.000000 0.000000\n0.000000 4.807630 0.000000\n0.000000 0.000000 9.308689\nMn F\n2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.214036 0.154520 F\n0.000000 0.714036 0.345480 F\n0.500000 0.208604 0.925731 F\n0.500000 0.291396 0.425731 F\n0.500000 0.708604 0.574269 F\n0.500000 0.791396 0.074269 F\n0.000000 0.285964 0.654520 F\n0.000000 0.785964 0.845480 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.2810234181700912,
"density_atomic": 0.07545457378263198,
"volume": 132.53007072583563,
"volume_molar": 7.9811474084373755,
"formula_full": "Mn2 F8",
"formula_reduced": "MnF4",
"formula_anonymous": "AB4",
"energy": -56.813575,
"energy_per_atom": -5.6813575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.781575,
"band_gap": 0.5459999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0003398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.583000Z",
"spacegroup": 55
},
{
"id": "mp-1217339",
"created_at": "2022-09-04T14:48:09.887342Z",
"structure_string": "Ti4 In2 Co1 Ni1\n1.0\n7.529463 -2.271556 0.000000\n7.529463 2.271556 0.000000\n6.844159 0.000000 3.874308\nTi In Co Ni\n4 2 1 1\ndirect\n0.124865 0.124865 0.124865 Ti\n0.625030 0.625030 0.625030 Ti\n0.374970 0.374970 0.374970 Ti\n0.875135 0.875135 0.875135 Ti\n0.749857 0.749857 0.749857 In\n0.250143 0.250143 0.250143 In\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"In",
"Co",
"Ni"
],
"chemical_system": "Co-In-Ni-Ti",
"density": 6.750083534227606,
"density_atomic": 0.060364053686499365,
"volume": 132.52920424377047,
"volume_molar": 9.97636903458469,
"formula_full": "Ti4 In2 Co1 Ni1",
"formula_reduced": "Ti4In2CoNi",
"formula_anonymous": "ABC2D4",
"energy": -50.61391774,
"energy_per_atom": -6.3267397175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.61391774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9571642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.406000Z",
"spacegroup": 166
},
{
"id": "mp-672337",
"created_at": "2022-09-04T14:41:06.918783Z",
"structure_string": "V2 Ge6\n1.0\n5.098357 0.000000 0.000000\n0.000000 5.098357 0.000000\n0.000000 0.000000 5.098357\nV Ge\n2 6\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.250000 0.000000 0.500000 Ge\n0.750000 0.000000 0.500000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"Ge"
],
"chemical_system": "Ge-V",
"density": 6.737782422538227,
"density_atomic": 0.06036695350252997,
"volume": 132.5228380071345,
"volume_molar": 9.975889804920524,
"formula_full": "V2 Ge6",
"formula_reduced": "VGe3",
"formula_anonymous": "AB3",
"energy": -44.16941173,
"energy_per_atom": -5.52117646625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.16941173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1729947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.634000Z",
"spacegroup": 223
},
{
"id": "mp-1519687",
"created_at": "2022-09-04T14:42:09.095862Z",
"structure_string": "Ba1 Cr1 In1 W1 O6\n1.0\n0.000000 -4.046543 -4.046543\n4.046543 0.000000 -4.046543\n4.046543 -4.046543 -0.000000\nBa Cr In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 -0.000000 Cr\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 W\n0.743748 0.256252 0.256252 O\n0.256252 0.743748 0.743748 O\n0.743748 0.256252 0.743748 O\n0.256252 0.743748 0.256252 O\n0.743748 0.743748 0.256252 O\n0.256252 0.256252 0.743748 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Cr",
"In",
"W",
"O"
],
"chemical_system": "Ba-Cr-In-O-W",
"density": 7.317500102586479,
"density_atomic": 0.07546012585128509,
"volume": 132.52031966800251,
"volume_molar": 7.980560186009077,
"formula_full": "Ba1 Cr1 In1 W1 O6",
"formula_reduced": "BaCrInWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.31132226999999,
"energy_per_atom": -7.931132226999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.75232227,
"band_gap": 0.1824000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.481000Z",
"spacegroup": 216
},
{
"id": "mp-972954",
"created_at": "2022-09-04T14:47:29.165126Z",
"structure_string": "Mg2 Cd4\n1.0\n2.720332 -4.711753 0.000000\n2.720332 4.711753 0.000000\n0.000000 0.000000 5.169207\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.665301 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.334699 0.334699 0.000000 Cd\n0.000000 0.665301 0.000000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.243693073531469,
"density_atomic": 0.04527859111702557,
"volume": 132.5129570505539,
"volume_molar": 13.300194664704497,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.16377651,
"energy_per_atom": -1.1939627516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.16377651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.022000Z",
"spacegroup": 189
},
{
"id": "mp-1103732",
"created_at": "2022-09-04T14:43:59.013872Z",
"structure_string": "Yb2 H8 N4\n1.0\n-2.556508 2.556508 5.068271\n2.556508 -2.556508 5.068271\n2.556508 2.556508 -5.068271\nYb H N\n2 8 4\ndirect\n0.750000 0.250000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.896150 0.553423 0.342727 H\n0.210696 0.553423 0.657273 H\n0.539304 0.696577 0.842727 H\n0.853850 0.696577 0.157273 H\n0.446577 0.103850 0.657273 H\n0.446577 0.789304 0.342727 H\n0.303423 0.460696 0.157273 H\n0.303423 0.146150 0.842727 H\n0.990417 0.490417 0.500000 N\n0.759583 0.759583 0.000000 N\n0.509583 0.009583 0.500000 N\n0.240417 0.240417 0.000000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"H",
"N"
],
"chemical_system": "H-N-Yb",
"density": 5.140427011056216,
"density_atomic": 0.10566080220747877,
"volume": 132.4994672339244,
"volume_molar": 5.699503159340719,
"formula_full": "Yb2 H8 N4",
"formula_reduced": "Yb(H2N)2",
"formula_anonymous": "AB2C4",
"energy": -73.99872603,
"energy_per_atom": -5.285623287857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.55472603,
"band_gap": 2.6181,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.602000Z",
"spacegroup": 141
},
{
"id": "mp-1039229",
"created_at": "2022-09-04T14:46:24.549119Z",
"structure_string": "Ca3 Zn1\n1.0\n-2.509057 2.509057 5.261602\n2.509057 -2.509057 5.261602\n2.509057 2.509057 -5.261602\nCa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 2.326637025344804,
"density_atomic": 0.03018984969839124,
"volume": 132.49486300732238,
"volume_molar": 19.947567875175306,
"formula_full": "Ca3 Zn1",
"formula_reduced": "Ca3Zn",
"formula_anonymous": "AB3",
"energy": -7.17678622,
"energy_per_atom": -1.794196555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.17678622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.223000Z",
"spacegroup": 139
}
]
}