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=nsites&page=1710",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=1708",
"results": [
{
"id": "mp-5339",
"created_at": "2022-09-04T14:43:15.681206Z",
"structure_string": "Cs2 Na2 Te2\n1.0\n5.360767 0.000000 0.000000\n0.000000 5.360767 0.000000\n0.000000 0.000000 8.676949\nCs Na Te\n2 2 2\ndirect\n0.500000 0.000000 0.657867 Cs\n0.000000 0.500000 0.342133 Cs\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.200372 Te\n0.000000 0.500000 0.799628 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Te"
],
"chemical_system": "Cs-Na-Te",
"density": 3.7757560573431443,
"density_atomic": 0.024061923547731026,
"volume": 249.35662305209942,
"volume_molar": 25.027678057633395,
"formula_full": "Cs2 Na2 Te2",
"formula_reduced": "CsNaTe",
"formula_anonymous": "ABC",
"energy": -17.630110090000002,
"energy_per_atom": -2.938351681666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.78611009,
"band_gap": 1.9696,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.23e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.219000Z",
"spacegroup": 129
},
{
"id": "mp-1039434",
"created_at": "2022-09-04T14:43:15.251990Z",
"structure_string": "Mg5 Cd1\n1.0\n1.574499 -2.727113 0.000000\n1.574499 2.727113 0.000000\n0.000000 0.000000 15.912806\nMg Cd\n5 1\ndirect\n0.666667 0.333333 0.834952 Mg\n0.000000 0.000000 0.667321 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.332679 Mg\n0.666667 0.333333 0.165048 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 2.8426531417044694,
"density_atomic": 0.04390651466328342,
"volume": 136.65398053144642,
"volume_molar": 13.715825102911166,
"formula_full": "Mg5 Cd1",
"formula_reduced": "Mg5Cd",
"formula_anonymous": "AB5",
"energy": -8.88451638,
"energy_per_atom": -1.48075273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.88451638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.588000Z",
"spacegroup": 187
},
{
"id": "mp-1219072",
"created_at": "2022-09-04T14:43:02.758210Z",
"structure_string": "Sm1 Er1 Fe4\n1.0\n0.000000 3.658559 3.658559\n3.658559 0.000000 3.658559\n3.658559 3.658559 0.000000\nSm Er Fe\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Er\n0.624885 0.624885 0.125344 Fe\n0.624885 0.125344 0.624885 Fe\n0.125344 0.624885 0.624885 Fe\n0.624885 0.624885 0.624885 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Fe"
],
"chemical_system": "Er-Fe-Sm",
"density": 9.172450459984091,
"density_atomic": 0.061261985108926206,
"volume": 97.94001923593832,
"volume_molar": 9.83014303126547,
"formula_full": "Sm1 Er1 Fe4",
"formula_reduced": "SmErFe4",
"formula_anonymous": "ABC4",
"energy": -43.42876051,
"energy_per_atom": -7.238126751666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.42876051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5991887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.045000Z",
"spacegroup": 216
},
{
"id": "mp-1018673",
"created_at": "2022-09-04T14:43:15.627013Z",
"structure_string": "Co2 P2 Pd2\n1.0\n3.619077 0.000000 0.000000\n0.000000 3.619077 0.000000\n0.000000 0.000000 5.842052\nCo P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.779210 P\n0.500000 0.000000 0.220790 P\n0.000000 0.500000 0.377505 Pd\n0.500000 0.000000 0.622495 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"P",
"Pd"
],
"chemical_system": "Co-P-Pd",
"density": 8.521145154503257,
"density_atomic": 0.07841338198077015,
"volume": 76.51755157648246,
"volume_molar": 7.679991103402287,
"formula_full": "Co2 P2 Pd2",
"formula_reduced": "CoPPd",
"formula_anonymous": "ABC",
"energy": -39.01507426,
"energy_per_atom": -6.502512376666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.01507426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.809000Z",
"spacegroup": 129
},
{
"id": "mp-1120786",
"created_at": "2022-09-04T14:43:09.860902Z",
"structure_string": "V2 Bi4\n1.0\n1.882883 5.370275 0.000000\n-1.882883 5.370275 0.000000\n0.000000 4.414232 7.190814\nV Bi\n2 4\ndirect\n0.143768 0.143768 0.817069 V\n0.856232 0.856232 0.182931 V\n0.408759 0.408759 0.886280 Bi\n0.591241 0.591241 0.113720 Bi\n0.842192 0.842192 0.549358 Bi\n0.157808 0.157808 0.450642 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"Bi"
],
"chemical_system": "Bi-V",
"density": 10.708620926506653,
"density_atomic": 0.04125944098836194,
"volume": 145.4212625346141,
"volume_molar": 14.595788541339342,
"formula_full": "V2 Bi4",
"formula_reduced": "VBi2",
"formula_anonymous": "AB2",
"energy": -32.3522787,
"energy_per_atom": -5.39204645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.3522787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.86e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.875000Z",
"spacegroup": 12
},
{
"id": "mp-27743",
"created_at": "2022-09-04T14:43:03.484230Z",
"structure_string": "Bi1 F5\n1.0\n-3.458062 3.458062 2.177478\n3.458062 -3.458062 2.177478\n3.458062 3.458062 -2.177478\nBi F\n1 5\ndirect\n0.000000 0.000000 0.000000 Bi\n0.093598 0.275435 0.369033 F\n0.500000 0.500000 0.000000 F\n0.906402 0.724565 0.630967 F\n0.724565 0.093598 0.818164 F\n0.275435 0.906402 0.181836 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 4.846229250580584,
"density_atomic": 0.0576065587062568,
"volume": 104.15480693083519,
"volume_molar": 10.453915136135219,
"formula_full": "Bi1 F5",
"formula_reduced": "BiF5",
"formula_anonymous": "AB5",
"energy": -26.223491839999998,
"energy_per_atom": -4.370581973333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.91349184,
"band_gap": 1.8138,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.527000Z",
"spacegroup": 87
},
{
"id": "mp-776117",
"created_at": "2022-09-04T14:43:19.133676Z",
"structure_string": "Li1 Mn1 F4\n1.0\n3.201999 3.392756 0.000000\n-3.201999 3.392756 0.000000\n0.000000 0.212872 3.184070\nLi Mn F\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Mn\n0.708730 0.291270 0.500000 F\n0.291270 0.708730 0.500000 F\n0.193576 0.193576 0.036235 F\n0.806424 0.806424 0.963765 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.309335692764153,
"density_atomic": 0.0867290978014568,
"volume": 69.18093410513049,
"volume_molar": 6.943622051489674,
"formula_full": "Li1 Mn1 F4",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy": -36.28825173,
"energy_per_atom": -6.0480419549999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77225173,
"band_gap": 1.8179,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.901000Z",
"spacegroup": 12
},
{
"id": "mp-1217493",
"created_at": "2022-09-04T14:43:15.420517Z",
"structure_string": "Tb2 Ni2 Ge2\n1.0\n2.085573 5.146160 0.000000\n-2.085573 5.146160 0.000000\n0.000000 4.613405 5.155200\nTb Ni Ge\n2 2 2\ndirect\n0.451246 0.451246 0.808924 Tb\n0.548754 0.548754 0.191076 Tb\n0.170785 0.170785 0.776394 Ni\n0.829215 0.829215 0.223606 Ni\n0.829190 0.829190 0.605081 Ge\n0.170810 0.170810 0.394919 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Tb",
"density": 8.71124481001952,
"density_atomic": 0.05422094161731853,
"volume": 110.65835120214068,
"volume_molar": 11.106669453480107,
"formula_full": "Tb2 Ni2 Ge2",
"formula_reduced": "TbNiGe",
"formula_anonymous": "ABC",
"energy": -34.30502427,
"energy_per_atom": -5.717504044999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.30502427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.326000Z",
"spacegroup": 12
},
{
"id": "mp-1218928",
"created_at": "2022-09-04T14:43:09.816720Z",
"structure_string": "Sn2 Sb2 Pt2\n1.0\n3.980310 0.000000 0.000000\n0.000000 5.537520 0.000000\n0.000000 0.181200 6.638020\nSn Sb Pt\n2 2 2\ndirect\n0.000000 0.789132 0.635583 Sn\n0.000000 0.210868 0.364417 Sn\n0.500000 0.292753 0.867962 Sb\n0.500000 0.707247 0.132038 Sb\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Sn",
"density": 9.886676810760276,
"density_atomic": 0.04100912361516711,
"volume": 146.30890570363022,
"volume_molar": 14.684880409813802,
"formula_full": "Sn2 Sb2 Pt2",
"formula_reduced": "SnSbPt",
"formula_anonymous": "ABC",
"energy": -31.448979970000003,
"energy_per_atom": -5.241496661666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.064979970000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.924000Z",
"spacegroup": 10
},
{
"id": "mp-1225534",
"created_at": "2022-09-04T14:43:15.704623Z",
"structure_string": "Dy2 Mn2 Al2\n1.0\n-2.727934 2.755037 3.780933\n2.727934 -2.755037 3.780933\n2.727934 2.755037 -3.780933\nDy Mn Al\n2 2 2\ndirect\n0.129701 0.879701 0.250000 Dy\n0.870299 0.120299 0.750000 Dy\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Al"
],
"chemical_system": "Al-Dy-Mn",
"density": 7.1415885531280265,
"density_atomic": 0.052787486458762106,
"volume": 113.66330171237145,
"volume_molar": 11.408273369304165,
"formula_full": "Dy2 Mn2 Al2",
"formula_reduced": "DyMnAl",
"formula_anonymous": "ABC",
"energy": -36.43876052,
"energy_per_atom": -6.073126753333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.43876052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.191898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.912000Z",
"spacegroup": 74
},
{
"id": "mp-1216294",
"created_at": "2022-09-04T14:43:12.354343Z",
"structure_string": "U2 Al2 Co2\n1.0\n-3.457713 -0.104574 -3.734563\n3.457713 -3.734563 -0.104574\n-3.457713 -3.734563 -0.104574\nU Al Co\n2 2 2\ndirect\n0.500000 0.782226 0.717774 U\n0.000000 0.967774 0.032226 U\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Al\n0.250000 0.875000 0.375000 Co\n0.750000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Al",
"Co"
],
"chemical_system": "Al-Co-U",
"density": 11.163251216085316,
"density_atomic": 0.06225774592022806,
"volume": 96.37355017137796,
"volume_molar": 9.67291807788267,
"formula_full": "U2 Al2 Co2",
"formula_reduced": "UAlCo",
"formula_anonymous": "ABC",
"energy": -45.84264331,
"energy_per_atom": -7.640440551666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.84264331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.244000Z",
"spacegroup": 74
},
{
"id": "mp-756183",
"created_at": "2022-09-04T14:43:15.519362Z",
"structure_string": "Cr1 Ga1 O4\n1.0\n4.535277 0.014215 0.150305\n-4.547265 2.951276 -0.145119\n-0.012842 -0.010716 4.543583\nCr Ga O\n1 1 4\ndirect\n0.504314 0.000233 0.498411 Cr\n0.503083 0.499351 0.998387 Ga\n0.209171 0.999323 0.793566 O\n0.194677 0.500294 0.686762 O\n0.799169 0.999355 0.203122 O\n0.814207 0.498980 0.308825 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-O",
"density": 5.046067542214551,
"density_atomic": 0.09817575597946149,
"volume": 61.114884628494316,
"volume_molar": 6.134040629399218,
"formula_full": "Cr1 Ga1 O4",
"formula_reduced": "CrGaO4",
"formula_anonymous": "ABC4",
"energy": -43.7346129,
"energy_per_atom": -7.289102150000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.9876129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9990253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.581000Z",
"spacegroup": 65
}
]
}