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_per_atom&page=11495",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11493",
"results": [
{
"id": "mp-30349",
"created_at": "2022-09-04T14:43:24.309807Z",
"structure_string": "Li2 Ag1 Pb1\n1.0\n0.000000 3.385165 3.385165\n3.385165 0.000000 3.385165\n3.385165 3.385165 0.000000\nLi Ag Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"Pb"
],
"chemical_system": "Ag-Li-Pb",
"density": 7.0406009632418,
"density_atomic": 0.051557336095598746,
"volume": 77.58352744569875,
"volume_molar": 11.680473073383027,
"formula_full": "Li2 Ag1 Pb1",
"formula_reduced": "Li2AgPb",
"formula_anonymous": "ABC2",
"energy": -11.46189247,
"energy_per_atom": -2.8654731175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.46189247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.266000Z",
"spacegroup": 216
},
{
"id": "mp-1185289",
"created_at": "2022-09-04T14:48:23.196577Z",
"structure_string": "Li6 Y2\n1.0\n3.284047 -5.688136 0.000000\n3.284047 5.688136 0.000000\n0.000000 0.000000 4.992786\nLi Y\n6 2\ndirect\n0.149769 0.299539 0.250000 Li\n0.700461 0.850231 0.250000 Li\n0.149769 0.850231 0.250000 Li\n0.850231 0.700461 0.750000 Li\n0.299539 0.149769 0.750000 Li\n0.850231 0.149769 0.750000 Li\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Y"
],
"chemical_system": "Li-Y",
"density": 1.953653941148782,
"density_atomic": 0.0428881885994158,
"volume": 186.5315430950369,
"volume_molar": 14.04149010872898,
"formula_full": "Li6 Y2",
"formula_reduced": "Li3Y",
"formula_anonymous": "AB3",
"energy": -22.92227851,
"energy_per_atom": -2.86528481375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.92227851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0446216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.684000Z",
"spacegroup": 194
},
{
"id": "mp-1022605",
"created_at": "2022-09-04T14:48:13.782341Z",
"structure_string": "Mg6 Fe1 Ni1\n1.0\n2.997646 -5.192075 0.000000\n2.997646 5.192075 0.000000\n0.000000 0.000000 4.744687\nMg Fe Ni\n6 1 1\ndirect\n0.826639 0.653278 0.000000 Mg\n0.346722 0.173361 0.000000 Mg\n0.826639 0.173361 0.000000 Mg\n0.174328 0.348655 0.500000 Mg\n0.651345 0.825672 0.500000 Mg\n0.174328 0.825672 0.500000 Mg\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.500000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Ni"
],
"chemical_system": "Fe-Mg-Ni",
"density": 2.9273759891060775,
"density_atomic": 0.05416654331303878,
"volume": 147.69264403243298,
"volume_molar": 11.117823644748565,
"formula_full": "Mg6 Fe1 Ni1",
"formula_reduced": "Mg6FeNi",
"formula_anonymous": "ABC6",
"energy": -22.92113257,
"energy_per_atom": -2.86514157125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.92113257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2832953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.990000Z",
"spacegroup": 187
},
{
"id": "mp-1185501",
"created_at": "2022-09-04T14:39:34.237368Z",
"structure_string": "Lu1 Mg1 Tl2\n1.0\n0.000000 3.701727 3.701727\n3.701727 0.000000 3.701727\n3.701727 3.701727 0.000000\nLu Mg Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mg",
"Tl"
],
"chemical_system": "Lu-Mg-Tl",
"density": 9.95261242784679,
"density_atomic": 0.03942909742304606,
"volume": 101.44792200244547,
"volume_molar": 15.27334165270569,
"formula_full": "Lu1 Mg1 Tl2",
"formula_reduced": "LuMgTl2",
"formula_anonymous": "ABC2",
"energy": -11.45973303,
"energy_per_atom": -2.8649332575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45973303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.936000Z",
"spacegroup": 225
},
{
"id": "mp-975786",
"created_at": "2022-09-04T14:41:59.338549Z",
"structure_string": "Li2 Tm1 Tl1\n1.0\n0.000000 3.396832 3.396832\n3.396832 0.000000 3.396832\n3.396832 3.396832 0.000000\nLi Tm Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Tl"
],
"chemical_system": "Li-Tl-Tm",
"density": 8.202225338960886,
"density_atomic": 0.05102791122182051,
"volume": 78.38847219538007,
"volume_molar": 11.801660338048125,
"formula_full": "Li2 Tm1 Tl1",
"formula_reduced": "Li2TmTl",
"formula_anonymous": "ABC2",
"energy": -11.45939763,
"energy_per_atom": -2.8648494075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45939763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.391000Z",
"spacegroup": 225
},
{
"id": "mp-21128",
"created_at": "2022-09-04T14:47:04.609174Z",
"structure_string": "Ca3 Pb1 N1\n1.0\n5.953987 0.000000 0.000000\n0.000000 5.953987 0.000000\n0.000000 0.000000 5.953987\nCa Pb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"N"
],
"chemical_system": "Ca-N-Pb",
"density": 2.6862148111341395,
"density_atomic": 0.023688979828469403,
"volume": 211.06860811249467,
"volume_molar": 25.42169736141442,
"formula_full": "Ca3 Pb1 N1",
"formula_reduced": "Ca3PbN",
"formula_anonymous": "ABC3",
"energy": -14.32343355,
"energy_per_atom": -2.86468671,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.96243355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0401184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.334000Z",
"spacegroup": 221
},
{
"id": "mp-863758",
"created_at": "2022-09-04T14:43:34.124142Z",
"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.997119 0.000000 0.000000\n0.000000 8.326006 0.000000\n0.000000 0.000000 9.973139\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.024867 0.422269 K\n0.000000 0.340920 0.337570 K\n0.500000 0.524867 0.577731 K\n0.000000 0.840920 0.662430 K\n0.000000 0.496069 0.954097 Sr\n0.000000 0.996069 0.045903 Sr\n0.500000 0.151804 0.824433 Cd\n0.500000 0.651804 0.175567 Cd\n0.000000 0.249437 0.684902 Sb\n0.500000 0.282423 0.109571 Sb\n0.000000 0.749437 0.315098 Sb\n0.500000 0.782423 0.890429 Sb\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Sr",
"Cd",
"Sb"
],
"chemical_system": "Cd-K-Sb-Sr",
"density": 4.175911343884969,
"density_atomic": 0.028919645349030795,
"volume": 414.94284785211465,
"volume_molar": 20.82370197600582,
"formula_full": "K4 Sr2 Cd2 Sb4",
"formula_reduced": "K2SrCdSb2",
"formula_anonymous": "ABC2D2",
"energy": -34.36280091,
"energy_per_atom": -2.8635667424999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.59480091,
"band_gap": 0.3151999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.774000Z",
"spacegroup": 26
},
{
"id": "mp-7373",
"created_at": "2022-09-04T14:46:29.026485Z",
"structure_string": "Cd8 As8\n1.0\n6.111073 0.000000 0.000000\n0.000000 7.957447 0.000000\n0.000000 0.000000 8.199427\nCd As\n8 8\ndirect\n0.046670 0.630303 0.861956 Cd\n0.546670 0.869697 0.138044 Cd\n0.953330 0.130303 0.638044 Cd\n0.453330 0.369697 0.361956 Cd\n0.953330 0.369697 0.138044 Cd\n0.453330 0.130303 0.861956 Cd\n0.046670 0.869697 0.361956 Cd\n0.546670 0.630303 0.638044 Cd\n0.632573 0.064652 0.404225 As\n0.132573 0.435348 0.595775 As\n0.367427 0.564652 0.095775 As\n0.867427 0.935348 0.904225 As\n0.367427 0.935348 0.595775 As\n0.867427 0.564652 0.404225 As\n0.632573 0.435348 0.904225 As\n0.132573 0.064652 0.095775 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 6.24133818312261,
"density_atomic": 0.040127790979803846,
"volume": 398.7261598340346,
"volume_molar": 15.00740662009259,
"formula_full": "Cd8 As8",
"formula_reduced": "CdAs",
"formula_anonymous": "AB",
"energy": -45.81669884,
"energy_per_atom": -2.8635436775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.81669884,
"band_gap": 0.0918999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003613,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.441000Z",
"spacegroup": 61
},
{
"id": "mp-865582",
"created_at": "2022-09-04T14:42:06.011198Z",
"structure_string": "Li2 Cd1 Pd1\n1.0\n0.000000 3.147543 3.147543\n3.147543 0.000000 3.147543\n3.147543 3.147543 0.000000\nLi Cd Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Pd"
],
"chemical_system": "Cd-Li-Pd",
"density": 6.196190063263765,
"density_atomic": 0.06413793599770143,
"volume": 62.365586571781044,
"volume_molar": 9.389358522880782,
"formula_full": "Li2 Cd1 Pd1",
"formula_reduced": "Li2CdPd",
"formula_anonymous": "ABC2",
"energy": -11.45328613,
"energy_per_atom": -2.8633215325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45328613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.033000Z",
"spacegroup": 225
},
{
"id": "mp-1021687",
"created_at": "2022-09-04T14:41:12.020195Z",
"structure_string": "Mg12 V2 Si2\n1.0\n4.867271 0.000000 0.000000\n0.000000 6.195473 0.000000\n0.000000 0.000000 10.595999\nMg V Si\n12 2 2\ndirect\n0.000000 0.255501 0.084669 Mg\n0.000000 0.744499 0.084669 Mg\n0.000000 0.500000 0.834436 Mg\n0.500000 0.242416 0.912350 Mg\n0.500000 0.757584 0.912350 Mg\n0.500000 0.500000 0.666666 Mg\n0.000000 0.755501 0.584669 Mg\n0.000000 0.244499 0.584669 Mg\n0.000000 0.000000 0.334436 Mg\n0.500000 0.742416 0.412350 Mg\n0.500000 0.257584 0.412350 Mg\n0.500000 0.000000 0.166666 Mg\n0.000000 0.500000 0.323705 V\n0.000000 0.000000 0.823705 V\n0.500000 0.500000 0.181155 Si\n0.500000 0.000000 0.681155 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Si"
],
"chemical_system": "Mg-Si-V",
"density": 2.337133929483803,
"density_atomic": 0.050074667911382764,
"volume": 319.522837941037,
"volume_molar": 12.026321913222457,
"formula_full": "Mg12 V2 Si2",
"formula_reduced": "Mg6VSi",
"formula_anonymous": "ABC6",
"energy": -45.81262252,
"energy_per_atom": -2.8632889075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.95462252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.942048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.926000Z",
"spacegroup": 38
},
{
"id": "mp-23205",
"created_at": "2022-09-04T14:46:51.023108Z",
"structure_string": "Mg1 I2\n1.0\n2.104749 -3.645532 0.000000\n2.104749 3.645532 0.000000\n0.000000 0.000000 7.731276\nMg I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.216461 I\n0.666667 0.333333 0.783539 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 3.8925074763344973,
"density_atomic": 0.025285925552605705,
"volume": 118.64307651142519,
"volume_molar": 23.816176898375076,
"formula_full": "Mg1 I2",
"formula_reduced": "MgI2",
"formula_anonymous": "AB2",
"energy": -8.589755910000001,
"energy_per_atom": -2.8632519700000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.83175591,
"band_gap": 3.616200000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.329000Z",
"spacegroup": 164
},
{
"id": "mp-1226940",
"created_at": "2022-09-04T14:48:26.075332Z",
"structure_string": "Cd2 Te1 Se1\n1.0\n7.513116 -2.270961 0.000000\n7.513116 2.270961 0.000000\n6.826681 0.000000 3.873061\nCd Te Se\n2 1 1\ndirect\n0.995048 0.995048 0.995048 Cd\n0.504965 0.504965 0.504965 Cd\n0.375817 0.375817 0.375817 Te\n0.874170 0.874170 0.874170 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Se"
],
"chemical_system": "Cd-Se-Te",
"density": 5.419971639673837,
"density_atomic": 0.03026536308015028,
"volume": 132.16428262918888,
"volume_molar": 19.89779783593496,
"formula_full": "Cd2 Te1 Se1",
"formula_reduced": "Cd2TeSe",
"formula_anonymous": "ABC2",
"energy": -11.45211768,
"energy_per_atom": -2.86302942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.55811768,
"band_gap": 0.1889,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.113000Z",
"spacegroup": 160
}
]
}