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=11547",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=11545",
"results": [
{
"id": "mp-1104804",
"created_at": "2022-09-04T14:45:08.447195Z",
"structure_string": "Ba4 Cd4 Sb6\n1.0\n2.459742 9.172512 0.000000\n-2.459742 9.172512 0.000000\n0.000000 8.197868 10.948243\nBa Cd Sb\n4 4 6\ndirect\n0.264070 0.264070 0.337427 Ba\n0.735930 0.735930 0.662573 Ba\n0.398066 0.398066 0.944198 Ba\n0.601934 0.601934 0.055802 Ba\n0.041208 0.041208 0.689444 Cd\n0.958792 0.958792 0.310556 Cd\n0.408758 0.408758 0.654045 Cd\n0.591242 0.591242 0.345955 Cd\n0.079931 0.079931 0.875566 Sb\n0.920069 0.920069 0.124434 Sb\n0.155773 0.155773 0.195233 Sb\n0.844227 0.844227 0.804767 Sb\n0.386702 0.386702 0.458398 Sb\n0.613298 0.613298 0.541602 Sb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.813268842330428,
"density_atomic": 0.02833842873531256,
"volume": 494.0288020469737,
"volume_molar": 21.250792753007513,
"formula_full": "Ba4 Cd4 Sb6",
"formula_reduced": "Ba2Cd2Sb3",
"formula_anonymous": "A2B2C3",
"energy": -46.94821885,
"energy_per_atom": -3.3534442035714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.79621885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.87e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.267000Z",
"spacegroup": 12
},
{
"id": "mp-1111296",
"created_at": "2022-09-04T14:39:10.893314Z",
"structure_string": "K2 Tl2 Cl6\n1.0\n0.000000 5.608821 5.608821\n5.608821 0.000000 5.608821\n5.608821 5.608821 0.000000\nK Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.765387 0.234613 0.234613 Cl\n0.234613 0.234613 0.765387 Cl\n0.234613 0.765387 0.765387 Cl\n0.234613 0.765387 0.234613 Cl\n0.765387 0.234613 0.765387 Cl\n0.765387 0.765387 0.234613 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Tl",
"density": 3.2923391489914797,
"density_atomic": 0.02833709093761139,
"volume": 352.89437515010235,
"volume_molar": 21.251796005661628,
"formula_full": "K2 Tl2 Cl6",
"formula_reduced": "KTlCl3",
"formula_anonymous": "ABC3",
"energy": -33.91741491,
"energy_per_atom": -3.391741491,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.23341491,
"band_gap": 1.097,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.568000Z",
"spacegroup": 225
},
{
"id": "mp-1188637",
"created_at": "2022-09-04T14:40:59.508752Z",
"structure_string": "Tl10 Te4 Br2\n1.0\n-4.604219 4.604219 6.658862\n4.604219 -4.604219 6.658862\n4.604219 4.604219 -6.658862\nTl Te Br\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 Tl\n0.996359 0.496359 0.794119 Tl\n0.702240 0.202240 0.205881 Tl\n0.496359 0.702240 0.500000 Tl\n0.202240 0.996359 0.500000 Tl\n0.003641 0.503641 0.205881 Tl\n0.297760 0.797760 0.794119 Tl\n0.503641 0.297760 0.500000 Tl\n0.797760 0.003641 0.500000 Tl\n0.343908 0.843908 0.187815 Te\n0.656092 0.156092 0.812185 Te\n0.843908 0.656092 0.500000 Te\n0.156092 0.343908 0.500000 Te\n0.750000 0.750000 0.000000 Br\n0.250000 0.250000 0.000000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Br"
],
"chemical_system": "Br-Te-Tl",
"density": 7.981665998218186,
"density_atomic": 0.02833661903099425,
"volume": 564.6404033769659,
"volume_molar": 21.252149924495424,
"formula_full": "Tl10 Te4 Br2",
"formula_reduced": "Tl5Te2Br",
"formula_anonymous": "AB2C5",
"energy": -49.36028413,
"energy_per_atom": -3.085017758125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.60428413,
"band_gap": 0.2367999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.003000Z",
"spacegroup": 140
},
{
"id": "mp-1186734",
"created_at": "2022-09-04T14:47:30.799206Z",
"structure_string": "Pr3 Y1\n1.0\n5.206904 0.000000 0.000000\n0.000000 5.206904 0.000000\n0.000000 0.000000 5.206904\nPr Y\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Y"
],
"chemical_system": "Pr-Y",
"density": 6.01818271278555,
"density_atomic": 0.028334873586723666,
"volume": 141.16879638645023,
"volume_molar": 21.253459068974568,
"formula_full": "Pr3 Y1",
"formula_reduced": "Pr3Y",
"formula_anonymous": "AB3",
"energy": -20.7881303,
"energy_per_atom": -5.197032575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.7881303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.639000Z",
"spacegroup": 221
},
{
"id": "mp-1197430",
"created_at": "2022-09-04T14:41:32.968185Z",
"structure_string": "Cs8 Na4 As28\n1.0\n11.264267 0.000000 0.000000\n0.000000 10.371299 0.000000\n0.000000 0.002918 12.083831\nCs Na As\n8 4 28\ndirect\n0.303383 0.459027 0.986791 Cs\n0.803383 0.040973 0.013209 Cs\n0.696617 0.540973 0.013209 Cs\n0.196617 0.959027 0.986791 Cs\n0.997923 0.356419 0.733169 Cs\n0.497923 0.143581 0.266831 Cs\n0.002077 0.643581 0.266831 Cs\n0.502077 0.856419 0.733169 Cs\n0.190948 0.054198 0.460134 Na\n0.690948 0.445802 0.539866 Na\n0.809052 0.945802 0.539866 Na\n0.309052 0.554198 0.460134 Na\n0.499430 0.176015 0.903176 As\n0.999430 0.323985 0.096824 As\n0.500570 0.823985 0.096824 As\n0.000570 0.676015 0.903176 As\n0.650417 0.283680 0.789765 As\n0.150417 0.216320 0.210235 As\n0.349583 0.716320 0.210235 As\n0.849583 0.783680 0.789765 As\n0.335076 0.185309 0.778519 As\n0.835076 0.314691 0.221481 As\n0.664924 0.814691 0.221481 As\n0.164924 0.685309 0.778519 As\n0.955531 0.984898 0.744211 As\n0.455531 0.515102 0.255789 As\n0.044469 0.015102 0.255789 As\n0.544469 0.484898 0.744211 As\n0.364807 0.396946 0.670899 As\n0.864807 0.103054 0.329101 As\n0.635193 0.603054 0.329101 As\n0.135193 0.896946 0.670899 As\n0.424760 0.184534 0.585069 As\n0.924760 0.315466 0.414931 As\n0.575240 0.815466 0.414931 As\n0.075240 0.684534 0.585069 As\n0.135053 0.331371 0.387067 As\n0.635053 0.168629 0.612933 As\n0.864947 0.668629 0.612933 As\n0.364947 0.831371 0.387067 As\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cs",
"Na",
"As"
],
"chemical_system": "As-Cs-Na",
"density": 3.826426954450439,
"density_atomic": 0.02833474166896279,
"volume": 1411.6945362454128,
"volume_molar": 21.253558018481996,
"formula_full": "Cs8 Na4 As28",
"formula_reduced": "Cs2NaAs7",
"formula_anonymous": "AB2C7",
"energy": -157.23329451,
"energy_per_atom": -3.9308323627500004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.23329451,
"band_gap": 1.4374,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.690000Z",
"spacegroup": 14
},
{
"id": "mp-1007908",
"created_at": "2022-09-04T14:47:35.257406Z",
"structure_string": "Dy1 Tl1 Te2\n1.0\n8.341880 -2.223555 0.000000\n8.341880 2.223555 0.000000\n7.749184 0.000000 3.805430\nDy Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Tl\n0.737551 0.737551 0.737551 Te\n0.262449 0.262449 0.262449 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Tl",
"Te"
],
"chemical_system": "Dy-Te-Tl",
"density": 7.3173207514534475,
"density_atomic": 0.028334427602573403,
"volume": 141.17101838459973,
"volume_molar": 21.25379359861519,
"formula_full": "Dy1 Tl1 Te2",
"formula_reduced": "DyTlTe2",
"formula_anonymous": "ABC2",
"energy": -18.30138108,
"energy_per_atom": -4.57534527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.45738108,
"band_gap": 0.8351999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.683000Z",
"spacegroup": 166
},
{
"id": "mp-1186531",
"created_at": "2022-09-04T14:39:33.822317Z",
"structure_string": "Pm6 Pr2\n1.0\n3.674879 -6.365077 0.000000\n3.674879 6.365077 0.000000\n0.000000 0.000000 6.035320\nPm Pr\n6 2\ndirect\n0.166316 0.332632 0.250000 Pm\n0.667368 0.833684 0.250000 Pm\n0.166316 0.833684 0.250000 Pm\n0.833684 0.667368 0.750000 Pm\n0.332632 0.166316 0.750000 Pm\n0.833684 0.166316 0.750000 Pm\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Pr"
],
"chemical_system": "Pm-Pr",
"density": 6.774152001364141,
"density_atomic": 0.028334332350645742,
"volume": 282.34298592243624,
"volume_molar": 21.25386504779512,
"formula_full": "Pm6 Pr2",
"formula_reduced": "Pm3Pr",
"formula_anonymous": "AB3",
"energy": -37.81365964,
"energy_per_atom": -4.726707455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.81365964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.055538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.726000Z",
"spacegroup": 194
},
{
"id": "mp-1219585",
"created_at": "2022-09-04T14:43:40.858632Z",
"structure_string": "Rb1 I4 N3\n1.0\n-3.067465 3.067465 7.501923\n3.067465 -3.067465 7.501923\n3.067465 3.067465 -7.501923\nRb I N\n1 4 3\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 I\n0.243834 0.243834 0.000000 I\n0.500000 0.000000 0.500000 I\n0.756166 0.756166 0.000000 I\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"I",
"N"
],
"chemical_system": "I-N-Rb",
"density": 3.7351094882462497,
"density_atomic": 0.028333365317511305,
"volume": 282.35262244176965,
"volume_molar": 21.254590453743397,
"formula_full": "Rb1 I4 N3",
"formula_reduced": "RbI4N3",
"formula_anonymous": "AB3C4",
"energy": -20.29554693,
"energy_per_atom": -2.53694336625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.69654693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.578000Z",
"spacegroup": 139
},
{
"id": "mp-28518",
"created_at": "2022-09-04T14:39:21.126116Z",
"structure_string": "Tl12 S2 Br8\n1.0\n9.008798 0.000000 0.000000\n0.000000 9.008798 0.000000\n0.000000 0.000000 9.567341\nTl S Br\n12 2 8\ndirect\n0.686818 0.894184 0.500000 Tl\n0.313182 0.105816 0.500000 Tl\n0.605816 0.813182 0.000000 Tl\n0.105816 0.686818 0.500000 Tl\n0.894184 0.313182 0.500000 Tl\n0.186818 0.605816 0.000000 Tl\n0.813182 0.394184 0.000000 Tl\n0.394184 0.186818 0.000000 Tl\n0.000000 0.000000 0.800402 Tl\n0.500000 0.500000 0.699598 Tl\n0.000000 0.000000 0.199598 Tl\n0.500000 0.500000 0.300402 Tl\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.169931 0.330069 0.750000 Br\n0.669931 0.169931 0.750000 Br\n0.330069 0.830069 0.750000 Br\n0.830069 0.669931 0.750000 Br\n0.830069 0.669931 0.250000 Br\n0.330069 0.830069 0.250000 Br\n0.669931 0.169931 0.250000 Br\n0.169931 0.330069 0.250000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"S",
"Br"
],
"chemical_system": "Br-S-Tl",
"density": 6.749255300525397,
"density_atomic": 0.028333337138756493,
"volume": 776.470483948279,
"volume_molar": 21.254611592372076,
"formula_full": "Tl12 S2 Br8",
"formula_reduced": "Tl6SBr4",
"formula_anonymous": "AB4C6",
"energy": -71.17885868,
"energy_per_atom": -3.2354026672727274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.90085868,
"band_gap": 1.8121,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0076185,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.466000Z",
"spacegroup": 128
},
{
"id": "mp-1227931",
"created_at": "2022-09-04T14:45:09.486947Z",
"structure_string": "Eu32 Sb22\n1.0\n11.760649 0.000000 0.000000\n0.000000 12.719627 0.000000\n0.000000 0.000000 12.741164\nEu Sb\n32 22\ndirect\n0.001071 0.792770 0.088440 Eu\n0.998929 0.292771 0.411560 Eu\n0.001071 0.207230 0.911560 Eu\n0.998929 0.707230 0.588440 Eu\n0.998340 0.088726 0.207011 Eu\n0.001660 0.588726 0.292989 Eu\n0.998340 0.911274 0.792989 Eu\n0.001660 0.411274 0.707011 Eu\n0.500685 0.634034 0.133804 Eu\n0.499315 0.134034 0.366196 Eu\n0.500685 0.365966 0.866196 Eu\n0.499315 0.865966 0.633804 Eu\n0.852501 0.500000 0.000000 Eu\n0.147499 0.000000 0.500000 Eu\n0.706726 0.926185 0.208725 Eu\n0.293274 0.426185 0.291275 Eu\n0.706726 0.073815 0.791275 Eu\n0.293274 0.573815 0.708725 Eu\n0.292876 0.207787 0.073519 Eu\n0.707124 0.707787 0.426481 Eu\n0.292876 0.792213 0.926481 Eu\n0.707124 0.292213 0.573519 Eu\n0.209165 0.500000 0.000000 Eu\n0.790835 0.000000 0.500000 Eu\n0.688451 0.569114 0.704665 Eu\n0.311549 0.069114 0.795335 Eu\n0.688451 0.430886 0.295335 Eu\n0.311549 0.930886 0.204665 Eu\n0.317675 0.699732 0.432128 Eu\n0.682325 0.199732 0.067872 Eu\n0.317675 0.300268 0.567872 Eu\n0.682325 0.800268 0.932128 Eu\n0.766309 0.668099 0.166690 Sb\n0.233691 0.168099 0.333310 Sb\n0.766309 0.331901 0.833310 Sb\n0.233691 0.831901 0.666690 Sb\n0.969325 0.856458 0.356133 Sb\n0.030675 0.356458 0.143867 Sb\n0.969325 0.143542 0.643867 Sb\n0.030675 0.643542 0.856133 Sb\n0.236581 0.679160 0.180897 Sb\n0.763419 0.179160 0.319103 Sb\n0.236581 0.320840 0.819103 Sb\n0.763419 0.820840 0.680897 Sb\n0.510881 0.875718 0.375908 Sb\n0.489119 0.375718 0.124092 Sb\n0.510881 0.124282 0.624092 Sb\n0.489119 0.624282 0.875908 Sb\n0.851685 0.500000 0.500000 Sb\n0.148315 0.000000 0.000000 Sb\n0.152555 0.500000 0.500000 Sb\n0.847445 0.000000 0.000000 Sb\n0.503241 0.500000 0.500000 Sb\n0.496759 0.000000 0.000000 Sb\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Eu",
"Sb"
],
"chemical_system": "Eu-Sb",
"density": 6.570463067685245,
"density_atomic": 0.02833211458340518,
"volume": 1905.9643374317402,
"volume_molar": 21.255528747322362,
"formula_full": "Eu32 Sb22",
"formula_reduced": "Eu16Sb11",
"formula_anonymous": "A11B16",
"energy": -480.64955257,
"energy_per_atom": -8.900917640185186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -476.42555257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 223.6693095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.489000Z",
"spacegroup": 18
},
{
"id": "mp-1039397",
"created_at": "2022-09-04T14:44:14.169855Z",
"structure_string": "Ca4 Mg2\n1.0\n1.890630 6.992668 0.000000\n-1.890630 6.992668 0.000000\n0.000000 2.293111 8.009525\nCa Mg\n4 2\ndirect\n0.309408 0.309408 0.143950 Ca\n0.025759 0.025759 0.242586 Ca\n0.974241 0.974241 0.757414 Ca\n0.690592 0.690592 0.856050 Ca\n0.656275 0.656275 0.466115 Mg\n0.343725 0.343725 0.533885 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.638125086198238,
"density_atomic": 0.028331204530826035,
"volume": 211.780617850951,
"volume_molar": 21.25621151563659,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.33024238,
"energy_per_atom": -1.8883737299999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.33024238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.507000Z",
"spacegroup": 12
},
{
"id": "mp-30106",
"created_at": "2022-09-04T14:40:23.661215Z",
"structure_string": "As2 Cl10\n1.0\n6.789455 0.000000 0.000000\n0.000000 7.736853 0.000000\n0.000000 0.000000 8.063464\nAs Cl\n2 10\ndirect\n0.825135 0.000000 0.500000 As\n0.174865 0.500000 0.000000 As\n0.826177 0.000000 0.220233 Cl\n0.826177 0.000000 0.779767 Cl\n0.339247 0.258376 0.000000 Cl\n0.339247 0.741624 0.000000 Cl\n0.660753 0.758376 0.500000 Cl\n0.660753 0.241624 0.500000 Cl\n0.854768 0.500000 0.000000 Cl\n0.145232 0.000000 0.500000 Cl\n0.173823 0.500000 0.720233 Cl\n0.173823 0.500000 0.279767 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Cl"
],
"chemical_system": "As-Cl",
"density": 1.977334704240596,
"density_atomic": 0.028330897651227108,
"volume": 423.5658237069745,
"volume_molar": 21.25644176240621,
"formula_full": "As2 Cl10",
"formula_reduced": "AsCl5",
"formula_anonymous": "AB5",
"energy": -39.21329452,
"energy_per_atom": -3.267774543333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.07329452,
"band_gap": 1.4376,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.734000Z",
"spacegroup": 59
}
]
}