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=10205",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10203",
"results": [
{
"id": "mp-1206960",
"created_at": "2022-09-04T14:48:22.650067Z",
"structure_string": "Tb2 Ti1 Ge2\n1.0\n3.001937 0.000000 0.000000\n0.000000 3.001937 0.000000\n0.000000 0.000000 14.317378\nTb Ti Ge\n2 1 2\ndirect\n0.500000 0.500000 0.620809 Tb\n0.500000 0.500000 0.379191 Tb\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.176069 Ge\n0.500000 0.500000 0.823931 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Ti",
"Ge"
],
"chemical_system": "Ge-Tb-Ti",
"density": 6.576599639227442,
"density_atomic": 0.038752824878937414,
"volume": 129.0228522854744,
"volume_molar": 15.539875554396293,
"formula_full": "Tb2 Ti1 Ge2",
"formula_reduced": "Tb2TiGe2",
"formula_anonymous": "AB2C2",
"energy": -23.50101014,
"energy_per_atom": -4.7002020280000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.50101014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2374265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:33.291000Z",
"spacegroup": 123
},
{
"id": "mp-1237474",
"created_at": "2022-09-04T14:40:10.539298Z",
"structure_string": "Li3 Sb1 F6\n1.0\n-2.242240 -4.209521 1.741001\n-3.380040 4.792171 -2.569788\n-0.544462 3.096259 -6.663931\nLi Sb F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.990272 0.497085 0.722040 F\n0.009728 0.502915 0.277960 F\n0.792742 0.856208 0.723578 F\n0.207258 0.143792 0.276422 F\n0.452924 0.832999 0.923547 F\n0.547076 0.167001 0.076453 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Sb",
"F"
],
"chemical_system": "F-Li-Sb",
"density": 3.3023698215184685,
"density_atomic": 0.07751128692770266,
"volume": 129.0134688297374,
"volume_molar": 7.769372692285511,
"formula_full": "Li3 Sb1 F6",
"formula_reduced": "Li3SbF6",
"formula_anonymous": "AB3C6",
"energy": -49.53483058,
"energy_per_atom": -4.953483058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.76283058,
"band_gap": 3.664,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.836000Z",
"spacegroup": 2
},
{
"id": "mp-989189",
"created_at": "2022-09-04T14:44:49.328600Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.835336 0.000000 0.000000\n0.000000 3.835336 0.000000\n0.000000 0.000000 8.770402\nSb Br O\n2 2 2\ndirect\n0.000000 0.500000 0.859768 Sb\n0.500000 0.000000 0.140232 Sb\n0.500000 0.000000 0.678768 Br\n0.000000 0.500000 0.321232 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.603226364882284,
"density_atomic": 0.04650770578488424,
"volume": 129.01087892299554,
"volume_molar": 12.94869454075994,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy": -29.957187250000004,
"energy_per_atom": -4.992864541666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.515187250000004,
"band_gap": 1.6021,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.469000Z",
"spacegroup": 129
},
{
"id": "mp-1225301",
"created_at": "2022-09-04T14:45:05.108495Z",
"structure_string": "Dy1 Ag1 Te2\n1.0\n2.252217 -3.900954 0.000000\n2.252217 3.900954 0.000000\n0.000000 0.000000 7.341981\nDy Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.013840 Dy\n0.333333 0.666667 0.612577 Ag\n0.333333 0.666667 0.234205 Te\n0.666667 0.333333 0.769379 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Ag",
"Te"
],
"chemical_system": "Ag-Dy-Te",
"density": 6.764782909135857,
"density_atomic": 0.031005281448715328,
"volume": 129.01027867191755,
"volume_molar": 19.422951441227834,
"formula_full": "Dy1 Ag1 Te2",
"formula_reduced": "DyAgTe2",
"formula_anonymous": "ABC2",
"energy": -18.15207211,
"energy_per_atom": -4.5380180275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.30807211,
"band_gap": 1.0711999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.175000Z",
"spacegroup": 156
},
{
"id": "mp-1517032",
"created_at": "2022-09-04T14:45:36.720569Z",
"structure_string": "Ca1 Eu1 V1 W1 O6\n1.0\n-0.000000 -4.010469 -4.010469\n4.010469 -0.000000 -4.010469\n4.010469 -4.010469 0.000000\nCa Eu V W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 0.000000 V\n0.500000 0.500000 0.500000 W\n0.743250 0.256750 0.256750 O\n0.256750 0.743250 0.743250 O\n0.743250 0.256750 0.743250 O\n0.256750 0.743250 0.256750 O\n0.743250 0.743250 0.256750 O\n0.256750 0.256750 0.743250 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"V",
"W",
"O"
],
"chemical_system": "Ca-Eu-O-V-W",
"density": 6.729545292075453,
"density_atomic": 0.07751477901602197,
"volume": 129.00765669386794,
"volume_molar": 7.7690226772822895,
"formula_full": "Ca1 Eu1 V1 W1 O6",
"formula_reduced": "CaEuVWO6",
"formula_anonymous": "ABCDE6",
"energy": -91.15685088,
"energy_per_atom": -9.115685088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.89685087999999,
"band_gap": 0.2124999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.733000Z",
"spacegroup": 216
},
{
"id": "mp-1025312",
"created_at": "2022-09-04T14:42:29.110209Z",
"structure_string": "Mn1 Nb2 S4\n1.0\n1.644564 -2.848468 0.000000\n1.644564 2.848468 0.000000\n0.000000 0.000000 13.769009\nMn Nb S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.275452 Nb\n0.666667 0.333333 0.724548 Nb\n0.333333 0.666667 0.098833 S\n0.666667 0.333333 0.901167 S\n0.333333 0.666667 0.613748 S\n0.666667 0.333333 0.386252 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"S"
],
"chemical_system": "Mn-Nb-S",
"density": 4.749997453646697,
"density_atomic": 0.054262929508991246,
"volume": 129.00151288072487,
"volume_molar": 11.098075268866832,
"formula_full": "Mn1 Nb2 S4",
"formula_reduced": "Mn(NbS2)2",
"formula_anonymous": "AB2C4",
"energy": -52.07057022,
"energy_per_atom": -7.438652888571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.05857022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5529439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.959000Z",
"spacegroup": 164
},
{
"id": "mp-9080",
"created_at": "2022-09-04T14:46:54.189063Z",
"structure_string": "Cs1 Pr1 S2\n1.0\n8.196336 -2.143821 0.000000\n8.196336 2.143821 0.000000\n7.635602 0.000000 3.670624\nCs Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Pr\n0.770843 0.770843 0.770843 S\n0.229157 0.229157 0.229157 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Pr",
"S"
],
"chemical_system": "Cs-Pr-S",
"density": 4.35025298475293,
"density_atomic": 0.03100857591417603,
"volume": 128.99657214413838,
"volume_molar": 19.42088787523741,
"formula_full": "Cs1 Pr1 S2",
"formula_reduced": "CsPrS2",
"formula_anonymous": "ABC2",
"energy": -22.10606624,
"energy_per_atom": -5.52651656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.10006624,
"band_gap": 2.1610000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009562,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.861000Z",
"spacegroup": 166
},
{
"id": "mp-1187231",
"created_at": "2022-09-04T14:39:50.030500Z",
"structure_string": "Sr2 Zn1 In1\n1.0\n0.000000 4.010326 4.010326\n4.010326 0.000000 4.010326\n4.010326 4.010326 0.000000\nSr Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"In"
],
"chemical_system": "In-Sr-Zn",
"density": 4.575929839220337,
"density_atomic": 0.03100922854632595,
"volume": 128.99385723266985,
"volume_molar": 19.420479135762047,
"formula_full": "Sr2 Zn1 In1",
"formula_reduced": "Sr2ZnIn",
"formula_anonymous": "ABC2",
"energy": -8.63706215,
"energy_per_atom": -2.1592655375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.63706215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.535000Z",
"spacegroup": 225
},
{
"id": "mp-1186601",
"created_at": "2022-09-04T14:45:37.252905Z",
"structure_string": "Pm1 Gd3\n1.0\n5.052673 0.000000 0.000000\n0.000000 5.052673 0.000000\n0.000000 0.000000 5.052673\nPm Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Gd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Gd"
],
"chemical_system": "Gd-Pm",
"density": 7.9395278870656965,
"density_atomic": 0.031009617848644113,
"volume": 128.99223781227278,
"volume_molar": 19.42023532632253,
"formula_full": "Pm1 Gd3",
"formula_reduced": "PmGd3",
"formula_anonymous": "AB3",
"energy": -46.88780459,
"energy_per_atom": -11.7219511475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.88780459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0499515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.877000Z",
"spacegroup": 221
},
{
"id": "mp-1518560",
"created_at": "2022-09-04T14:40:21.553942Z",
"structure_string": "Sr1 Eu1 Zr1 Ge1 O6\n1.0\n-0.000000 -4.010216 -4.010216\n4.010216 0.000000 -4.010216\n4.010216 -4.010216 -0.000000\nSr Eu Zr Ge O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 -0.000000 Ge\n0.761200 0.238800 0.238800 O\n0.238800 0.761200 0.761200 O\n0.761200 0.238800 0.761200 O\n0.238800 0.761200 0.238800 O\n0.761200 0.761200 0.238800 O\n0.238800 0.238800 0.761200 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Zr",
"Ge",
"O"
],
"chemical_system": "Eu-Ge-O-Sr-Zr",
"density": 6.429881269389215,
"density_atomic": 0.07752945090130293,
"volume": 128.9832429321635,
"volume_molar": 7.767552446187638,
"formula_full": "Sr1 Eu1 Zr1 Ge1 O6",
"formula_reduced": "SrEuZrGeO6",
"formula_anonymous": "ABCDE6",
"energy": -86.1592714,
"energy_per_atom": -8.61592714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.0372714,
"band_gap": 0.7382999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.140000Z",
"spacegroup": 216
},
{
"id": "mp-979952",
"created_at": "2022-09-04T14:40:27.030705Z",
"structure_string": "Yb3 Ti1\n1.0\n-2.522160 2.522160 5.068901\n2.522160 -2.522160 5.068901\n2.522160 2.522160 -5.068901\nYb Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.2996683813964705,
"density_atomic": 0.031012796067128468,
"volume": 128.97901857484362,
"volume_molar": 19.418245123609072,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.95623149,
"energy_per_atom": -2.7390578725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.95623149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.806416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.950000Z",
"spacegroup": 139
},
{
"id": "mp-19835",
"created_at": "2022-09-04T14:47:22.076578Z",
"structure_string": "Nb4 In2 C2\n1.0\n1.601458 -2.773807 0.000000\n1.601458 2.773807 0.000000\n0.000000 0.000000 14.517130\nNb In C\n4 2 2\ndirect\n0.333333 0.666667 0.417908 Nb\n0.666667 0.333333 0.582092 Nb\n0.666667 0.333333 0.917908 Nb\n0.333333 0.666667 0.082092 Nb\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"In",
"C"
],
"chemical_system": "C-In-Nb",
"density": 8.05050471275359,
"density_atomic": 0.062027950593628346,
"volume": 128.97411446674136,
"volume_molar": 9.70875339643836,
"formula_full": "Nb4 In2 C2",
"formula_reduced": "Nb2InC",
"formula_anonymous": "ABC2",
"energy": -67.6236357,
"energy_per_atom": -8.4529544625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.6236357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005576,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.825000Z",
"spacegroup": 194
}
]
}