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_molar&page=12186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12184",
"results": [
{
"id": "mp-1178625",
"created_at": "2022-09-04T14:45:19.744040Z",
"structure_string": "Zr3 Cd2\n1.0\n5.490113 0.000000 0.000000\n0.000000 20.033682 0.000000\n0.000000 0.000000 27.437381\nZr Cd\n3 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Zr",
"Cd"
],
"chemical_system": "Cd-Zr",
"density": 0.27429906022131495,
"density_atomic": 0.0016568580078790572,
"volume": 3017.7601075185053,
"volume_molar": 363.4675229477835,
"formula_full": "Zr3 Cd2",
"formula_reduced": "Zr3Cd2",
"formula_anonymous": "A2B3",
"energy": -13.14208065,
"energy_per_atom": -2.62841613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.14208065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6140808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.698000Z",
"spacegroup": 47
},
{
"id": "mp-1212318",
"created_at": "2022-09-04T14:47:09.795320Z",
"structure_string": "Na1 Yb3 Se6\n1.0\n-5.319337 -9.213363 0.000000\n-6.003675 9.608466 0.000000\n0.000000 0.000000 -56.904707\nNa Yb Se\n1 3 6\ndirect\n-0.000000 -0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n-0.000000 0.500000 0.000000 Yb\n-0.000000 -0.000000 0.757633 Se\n-0.000000 -0.000000 0.242367 Se\n0.748624 0.733767 0.000000 Se\n0.251376 0.266233 -0.000000 Se\n0.014857 0.266233 0.000000 Se\n0.985143 0.733767 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Yb",
"Se"
],
"chemical_system": "Na-Se-Yb",
"density": 0.2785457164637,
"density_atomic": 0.0016512367667048794,
"volume": 6056.066702024489,
"volume_molar": 364.70486131540446,
"formula_full": "Na1 Yb3 Se6",
"formula_reduced": "Na(YbSe2)3",
"formula_anonymous": "AB3C6",
"energy": -25.19363401,
"energy_per_atom": -2.519363401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.36163401,
"band_gap": 0.0315000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.4711894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.207000Z",
"spacegroup": 65
},
{
"id": "mp-1173456",
"created_at": "2022-09-04T14:39:42.001125Z",
"structure_string": "Ni1 Br2\n1.0\n9.666508 -7.855262 0.000000\n9.666508 7.855262 0.000000\n3.283111 0.000000 12.015311\nNi Br\n1 2\ndirect\n0.500000 0.500000 0.500000 Ni\n0.584843 0.584843 0.584843 Br\n0.415157 0.415157 0.415157 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"Br"
],
"chemical_system": "Br-Ni",
"density": 0.19884195288552997,
"density_atomic": 0.0016440913829619825,
"volume": 1824.7160900480014,
"volume_molar": 366.28990471019665,
"formula_full": "Ni1 Br2",
"formula_reduced": "NiBr2",
"formula_anonymous": "AB2",
"energy": -9.86042342,
"energy_per_atom": -3.286807806666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.79242342,
"band_gap": 0.7638999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0001122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.410000Z",
"spacegroup": 166
},
{
"id": "mp-1206297",
"created_at": "2022-09-04T14:42:08.969538Z",
"structure_string": "Tl4 S6\n1.0\n-4.905228 -8.496103 0.000000\n-7.048799 9.733695 0.000000\n0.000000 0.000000 -56.829767\nTl S\n4 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 -0.000000 0.000000 Tl\n-0.000000 0.000000 0.749902 S\n-0.000000 0.000000 0.250098 S\n0.763463 0.734553 -0.000000 S\n0.236537 0.265447 0.000000 S\n0.028910 0.265447 -0.000000 S\n0.971090 0.734553 0.000000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 0.2741667931507101,
"density_atomic": 0.0016348480960155733,
"volume": 6116.776246289699,
"volume_molar": 368.36087552580994,
"formula_full": "Tl4 S6",
"formula_reduced": "Tl2S3",
"formula_anonymous": "A2B3",
"energy": -28.18356837,
"energy_per_atom": -2.818356837,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.16556837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4967834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.034000Z",
"spacegroup": 65
},
{
"id": "mp-1207344",
"created_at": "2022-09-04T14:47:23.493632Z",
"structure_string": "Yb3 Tl1 S6\n1.0\n-4.910117 -8.504572 0.000000\n-6.370095 9.347491 0.000000\n0.000000 0.000000 -61.212813\nYb Tl S\n3 1 6\ndirect\n0.000000 -0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n-0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.769041 S\n-0.000000 -0.000000 0.230959 S\n0.751474 0.716469 -0.000000 S\n0.248526 0.283531 -0.000000 S\n0.035004 0.283531 0.000000 S\n0.964996 0.716469 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"S"
],
"chemical_system": "S-Tl-Yb",
"density": 0.24827795988958845,
"density_atomic": 0.0016324661645384158,
"volume": 6125.701234872165,
"volume_molar": 368.89835090106,
"formula_full": "Yb3 Tl1 S6",
"formula_reduced": "Yb3TlS6",
"formula_anonymous": "AB3C6",
"energy": -28.54681391,
"energy_per_atom": -2.854681391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.52881391,
"band_gap": 0.0484,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.4089499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.998000Z",
"spacegroup": 65
},
{
"id": "mp-1095945",
"created_at": "2022-09-04T14:47:13.632266Z",
"structure_string": "La1 Sn1 Hg2\n1.0\n-6.007849 9.398394 10.886611\n6.007849 -9.398394 10.886611\n6.007849 9.398394 -10.886611\nLa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sn\n0.000000 0.237699 0.237699 Hg\n0.000000 0.762301 0.762301 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sn",
"Hg"
],
"chemical_system": "Hg-La-Sn",
"density": 0.44491223517680123,
"density_atomic": 0.0016268017793181471,
"volume": 2458.812161907364,
"volume_molar": 370.18282353515144,
"formula_full": "La1 Sn1 Hg2",
"formula_reduced": "LaSnHg2",
"formula_anonymous": "ABC2",
"energy": -4.46356986,
"energy_per_atom": -1.115892465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46356986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3878068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.152000Z",
"spacegroup": 71
},
{
"id": "mp-1206473",
"created_at": "2022-09-04T14:46:12.504078Z",
"structure_string": "Pr2 Zn1 Sb3\n1.0\n9.486870 0.000000 0.000000\n0.000000 9.486870 0.000000\n0.000000 0.000000 41.142718\nPr Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242785 Pr\n0.500000 0.500000 0.757215 Pr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.690792 Sb\n0.500000 0.500000 0.309208 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Sb"
],
"chemical_system": "Pr-Sb-Zn",
"density": 0.3195197511753382,
"density_atomic": 0.0016203632044126794,
"volume": 3702.8735185175806,
"volume_molar": 371.65375908315565,
"formula_full": "Pr2 Zn1 Sb3",
"formula_reduced": "Pr2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -12.0693538,
"energy_per_atom": -2.0115589666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.4933538,
"band_gap": 0.1044,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1440606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.816000Z",
"spacegroup": 123
},
{
"id": "mp-1093760",
"created_at": "2022-09-04T14:42:16.047472Z",
"structure_string": "K2 Rb1 Bi1\n1.0\n-7.562770 7.746729 10.539607\n7.562770 -7.746729 10.539607\n7.562770 7.746729 -10.539607\nK Rb Bi\n2 1 1\ndirect\n0.722165 0.000000 0.722165 K\n0.277835 0.000000 0.277835 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Bi"
],
"chemical_system": "Bi-K-Rb",
"density": 0.25053043814488385,
"density_atomic": 0.0016194827500014474,
"volume": 2469.9244249414974,
"volume_molar": 371.8558138389938,
"formula_full": "K2 Rb1 Bi1",
"formula_reduced": "K2RbBi",
"formula_anonymous": "ABC2",
"energy": -4.66687083,
"energy_per_atom": -1.1667177075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.66687083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9779591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.162000Z",
"spacegroup": 71
},
{
"id": "mp-1097658",
"created_at": "2022-09-04T14:44:09.740267Z",
"structure_string": "Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sr"
],
"chemical_system": "Ba-Na-Sr",
"density": 0.18145129703615767,
"density_atomic": 0.0016133159313544878,
"volume": 2479.3655862814976,
"volume_molar": 373.2772139021776,
"formula_full": "Ba1 Na2 Sr1",
"formula_reduced": "BaNa2Sr",
"formula_anonymous": "ABC2",
"energy": -2.11794879,
"energy_per_atom": -0.5294871975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.11794879,
"band_gap": 0.2492000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.066000Z",
"spacegroup": 71
},
{
"id": "mp-1213668",
"created_at": "2022-09-04T14:45:14.022583Z",
"structure_string": "Cu7 Si6\n1.0\n-10.560747 -18.301407 -0.010399\n-10.157085 18.068171 0.002202\n-0.008412 -0.007307 -21.394130\nCu Si\n7 6\ndirect\n0.999997 0.333326 0.893923 Cu\n0.000003 0.666674 0.106077 Cu\n0.892085 0.892076 0.666657 Cu\n0.107915 0.107924 0.333343 Cu\n0.666691 0.774562 0.000002 Cu\n0.333309 0.225438 0.999998 Cu\n-0.000000 0.000000 0.000000 Cu\n0.996806 0.996809 0.666630 Si\n0.003194 0.003191 0.333370 Si\n0.666675 0.669836 0.999997 Si\n0.333325 0.330164 0.000003 Si\n0.000032 0.333362 0.994973 Si\n0.999968 0.666638 0.005027 Si\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Cu",
"Si"
],
"chemical_system": "Cu-Si",
"density": 0.1263729220636388,
"density_atomic": 0.0016130600450611201,
"volume": 8059.216419006534,
"volume_molar": 373.33642838892683,
"formula_full": "Cu7 Si6",
"formula_reduced": "Cu7Si6",
"formula_anonymous": "A6B7",
"energy": -25.137779400000003,
"energy_per_atom": -1.9336753384615386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.5637794,
"band_gap": 0.1612,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9174417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.598000Z",
"spacegroup": 2
},
{
"id": "mp-1211065",
"created_at": "2022-09-04T14:42:47.191795Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"As"
],
"chemical_system": "As-Cu-Mg",
"density": 0.14024148737149794,
"density_atomic": 0.0016117491534989095,
"volume": 3102.2197152364647,
"volume_molar": 373.6400758720221,
"formula_full": "Mg2 Cu1 As2",
"formula_reduced": "Mg2CuAs2",
"formula_anonymous": "AB2C2",
"energy": -5.3804974,
"energy_per_atom": -1.07609948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.3804974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7948773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 123
},
{
"id": "mp-1095990",
"created_at": "2022-09-04T14:39:27.547239Z",
"structure_string": "Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Li"
],
"chemical_system": "Ba-Li-Na",
"density": 0.20376129132168608,
"density_atomic": 0.0016114780540120541,
"volume": 2482.1932821494565,
"volume_molar": 373.70293346576057,
"formula_full": "Ba2 Na1 Li1",
"formula_reduced": "Ba2NaLi",
"formula_anonymous": "ABC2",
"energy": -2.31583272,
"energy_per_atom": -0.57895818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.31583272,
"band_gap": 0.1102,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.090000Z",
"spacegroup": 71
}
]
}