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=is_magnetic&page=101",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=99",
"results": [
{
"id": "mp-31018",
"created_at": "2022-09-04T14:40:33.338501Z",
"structure_string": "Sr2 Ag2 Bi2\n1.0\n2.476292 -4.289064 0.000000\n2.476292 4.289064 0.000000\n0.000000 0.000000 8.789729\nSr Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Sr",
"density": 7.194391090954856,
"density_atomic": 0.032135228183739734,
"volume": 186.7109816583151,
"volume_molar": 18.739996883069196,
"formula_full": "Sr2 Ag2 Bi2",
"formula_reduced": "SrAgBi",
"formula_anonymous": "ABC",
"energy": -20.4412434,
"energy_per_atom": -3.4068739000000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.4412434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.899000Z",
"spacegroup": 194
},
{
"id": "mp-1195855",
"created_at": "2022-09-04T14:40:22.043027Z",
"structure_string": "Y8 Re12 Si20\n1.0\n10.986211 0.000000 0.000000\n0.000000 10.986211 0.000000\n0.000000 0.000000 5.569181\nY Re Si\n8 12 20\ndirect\n0.576805 0.737532 0.500000 Y\n0.423195 0.262468 0.500000 Y\n0.076805 0.762468 0.000000 Y\n0.923195 0.237532 0.000000 Y\n0.262468 0.576805 0.500000 Y\n0.737532 0.423195 0.500000 Y\n0.237532 0.076805 0.000000 Y\n0.762468 0.923195 0.000000 Y\n0.875297 0.852892 0.500000 Re\n0.124703 0.147108 0.500000 Re\n0.375297 0.647108 0.000000 Re\n0.624703 0.352892 0.000000 Re\n0.147108 0.875297 0.500000 Re\n0.852892 0.124703 0.500000 Re\n0.352892 0.375297 0.000000 Re\n0.647108 0.624703 0.000000 Re\n0.500000 0.000000 0.250000 Re\n0.000000 0.500000 0.750000 Re\n0.000000 0.500000 0.250000 Re\n0.500000 0.000000 0.750000 Re\n0.673116 0.173116 0.250000 Si\n0.326884 0.826884 0.250000 Si\n0.173116 0.326884 0.750000 Si\n0.826884 0.673116 0.750000 Si\n0.826884 0.673116 0.250000 Si\n0.173116 0.326884 0.250000 Si\n0.673116 0.173116 0.750000 Si\n0.326884 0.826884 0.750000 Si\n0.500000 0.500000 0.252643 Si\n0.000000 0.000000 0.752643 Si\n0.500000 0.500000 0.747357 Si\n0.000000 0.000000 0.247357 Si\n0.684960 0.973302 0.500000 Si\n0.315040 0.026698 0.500000 Si\n0.184960 0.526698 0.000000 Si\n0.815040 0.473302 0.000000 Si\n0.026698 0.684960 0.500000 Si\n0.973302 0.315040 0.500000 Si\n0.473302 0.184960 0.000000 Si\n0.526698 0.815040 0.000000 Si\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Re",
"Si"
],
"chemical_system": "Re-Si-Y",
"density": 8.664674303441146,
"density_atomic": 0.05950764821223472,
"volume": 672.1825042949023,
"volume_molar": 10.119944143183014,
"formula_full": "Y8 Re12 Si20",
"formula_reduced": "Y2Re3Si5",
"formula_anonymous": "A2B3C5",
"energy": -331.9031073399999,
"energy_per_atom": -8.297577683499998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -333.32310734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003566,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.577000Z",
"spacegroup": 128
},
{
"id": "mp-1039249",
"created_at": "2022-09-04T14:40:22.050825Z",
"structure_string": "Mg1 Cd3\n1.0\n0.000000 3.540325 3.540325\n3.540325 0.000000 3.540325\n3.540325 3.540325 0.000000\nMg Cd\n1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.7646239272018605,
"density_atomic": 0.04507135348666155,
"volume": 88.74816686354366,
"volume_molar": 13.361348826105692,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.39549747,
"energy_per_atom": -1.0988743675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39549747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.167000Z",
"spacegroup": 225
},
{
"id": "mp-976289",
"created_at": "2022-09-04T14:40:33.353853Z",
"structure_string": "Na1 Cd2 Au1\n1.0\n0.000000 3.476538 3.476538\n3.476538 0.000000 3.476538\n3.476538 3.476538 0.000000\nNa Cd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Na",
"density": 8.788642270138004,
"density_atomic": 0.047598038216536194,
"volume": 84.03707694428353,
"volume_molar": 12.652077660435653,
"formula_full": "Na1 Cd2 Au1",
"formula_reduced": "NaCd2Au",
"formula_anonymous": "ABC2",
"energy": -7.2312741,
"energy_per_atom": -1.807818525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.2312741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.495000Z",
"spacegroup": 225
},
{
"id": "mp-1219905",
"created_at": "2022-09-04T14:40:28.787641Z",
"structure_string": "Pr10 S4 N6 Cl4\n1.0\n2.040809 7.979134 0.000000\n-2.040809 7.979134 0.000000\n0.000000 3.537696 16.728492\nPr S N Cl\n10 4 6 4\ndirect\n0.235626 0.235626 0.205623 Pr\n0.764374 0.764374 0.794377 Pr\n0.482394 0.482394 0.164046 Pr\n0.517606 0.517606 0.835954 Pr\n0.425668 0.425668 0.594866 Pr\n0.574332 0.574332 0.405134 Pr\n0.141300 0.141300 0.574673 Pr\n0.858700 0.858700 0.425327 Pr\n0.113708 0.113708 0.968702 Pr\n0.886292 0.886292 0.031298 Pr\n0.042067 0.042067 0.290680 S\n0.957933 0.957933 0.709320 S\n0.212422 0.212422 0.404965 S\n0.787578 0.787578 0.595035 S\n0.006078 0.006078 0.089834 N\n0.993922 0.993922 0.910166 N\n0.351939 0.351939 0.110062 N\n0.648061 0.648061 0.889938 N\n0.425197 0.425197 0.454464 N\n0.574803 0.574803 0.545536 N\n0.165645 0.165645 0.739594 Cl\n0.834355 0.834355 0.260406 Cl\n0.319520 0.319520 0.895181 Cl\n0.680480 0.680480 0.104819 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pr-S",
"density": 5.374065844539492,
"density_atomic": 0.044052071314444156,
"volume": 544.8097963132708,
"volume_molar": 13.670505336772692,
"formula_full": "Pr10 S4 N6 Cl4",
"formula_reduced": "Pr5S2N3Cl2",
"formula_anonymous": "A2B2C3D5",
"energy": -169.90768538999998,
"energy_per_atom": -7.079486891249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.27368539,
"band_gap": 0.7040000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.475000Z",
"spacegroup": 12
},
{
"id": "mp-27577",
"created_at": "2022-09-04T14:40:33.357423Z",
"structure_string": "Cd4 As6 I2\n1.0\n4.891783 4.302248 0.000000\n-4.891783 4.302248 0.000000\n0.000000 1.508523 8.024063\nCd As I\n4 6 2\ndirect\n0.111629 0.401600 0.785703 Cd\n0.598400 0.888371 0.714297 Cd\n0.401600 0.111629 0.285703 Cd\n0.888371 0.598400 0.214297 Cd\n0.671840 0.576471 0.526386 As\n0.576471 0.671840 0.026386 As\n0.290928 0.709072 0.250000 As\n0.709072 0.290928 0.750000 As\n0.328160 0.423529 0.473614 As\n0.423529 0.328160 0.973614 As\n0.872768 0.127232 0.250000 I\n0.127232 0.872768 0.750000 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"As",
"I"
],
"chemical_system": "As-Cd-I",
"density": 5.668718326551503,
"density_atomic": 0.03552992540866969,
"volume": 337.74346165871395,
"volume_molar": 16.949488890653654,
"formula_full": "Cd4 As6 I2",
"formula_reduced": "Cd2As3I",
"formula_anonymous": "AB2C3",
"energy": -37.93888374,
"energy_per_atom": -3.1615736450000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.18088374,
"band_gap": 0.7611999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.738000Z",
"spacegroup": 15
},
{
"id": "mp-1178463",
"created_at": "2022-09-04T14:40:33.325223Z",
"structure_string": "Cs16 Si4 O16\n1.0\n19.424265 0.000000 0.000000\n0.000000 6.992770 0.000000\n0.000000 2.782717 6.524180\nCs Si O\n16 4 16\ndirect\n0.808133 0.823657 0.677589 Cs\n0.013887 0.790683 0.765553 Cs\n0.212652 0.679341 0.839994 Cs\n0.422588 0.662234 0.793798 Cs\n0.691867 0.823657 0.177589 Cs\n0.486113 0.790683 0.265553 Cs\n0.287348 0.679341 0.339994 Cs\n0.077412 0.662234 0.293798 Cs\n0.922588 0.337766 0.706202 Cs\n0.712652 0.320659 0.660006 Cs\n0.513887 0.209317 0.734447 Cs\n0.308133 0.176343 0.822411 Cs\n0.577412 0.337766 0.206202 Cs\n0.787348 0.320659 0.160006 Cs\n0.986113 0.209317 0.234447 Cs\n0.191867 0.176343 0.322411 Cs\n0.623261 0.738117 0.710407 Si\n0.876739 0.738117 0.210407 Si\n0.123261 0.261883 0.789593 Si\n0.376739 0.261883 0.289593 Si\n0.659028 0.964431 0.558985 O\n0.559488 0.776585 0.850811 O\n0.840972 0.964431 0.058985 O\n0.940512 0.776585 0.350811 O\n0.682646 0.584956 0.874020 O\n0.594498 0.610704 0.568147 O\n0.094498 0.389296 0.931853 O\n0.817354 0.584956 0.374020 O\n0.182646 0.415044 0.625980 O\n0.905502 0.610704 0.068147 O\n0.405502 0.389296 0.431853 O\n0.317354 0.415044 0.125980 O\n0.059488 0.223415 0.649189 O\n0.159028 0.035569 0.941015 O\n0.440512 0.223415 0.149189 O\n0.340972 0.035569 0.441015 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cs",
"Si",
"O"
],
"chemical_system": "Cs-O-Si",
"density": 4.674858575503908,
"density_atomic": 0.040624004136112266,
"volume": 886.1755694830238,
"volume_molar": 14.82409449305536,
"formula_full": "Cs16 Si4 O16",
"formula_reduced": "Cs4SiO4",
"formula_anonymous": "AB4C4",
"energy": -194.48788079,
"energy_per_atom": -5.4024411330555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.49588079,
"band_gap": 2.4373,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.896000Z",
"spacegroup": 14
},
{
"id": "mp-1184171",
"created_at": "2022-09-04T14:40:33.350604Z",
"structure_string": "Er2 Al6\n1.0\n3.109069 -5.385065 0.000000\n3.109069 5.385065 0.000000\n0.000000 0.000000 4.628047\nEr Al\n2 6\ndirect\n0.666667 0.333333 0.250000 Er\n0.333333 0.666667 0.750000 Er\n0.850638 0.149362 0.750000 Al\n0.298723 0.149362 0.750000 Al\n0.850638 0.701277 0.750000 Al\n0.149362 0.850638 0.250000 Al\n0.701277 0.850638 0.250000 Al\n0.149362 0.298723 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Al"
],
"chemical_system": "Al-Er",
"density": 5.319099695717541,
"density_atomic": 0.05162272433769098,
"volume": 154.97051158454667,
"volume_molar": 11.665677930141884,
"formula_full": "Er2 Al6",
"formula_reduced": "ErAl3",
"formula_anonymous": "AB3",
"energy": -34.898833,
"energy_per_atom": -4.362354125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.898833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.149000Z",
"spacegroup": 194
},
{
"id": "mp-1217714",
"created_at": "2022-09-04T14:40:28.788191Z",
"structure_string": "Tb2 B6 Rh9\n1.0\n2.808312 -4.864139 0.000000\n2.808312 4.864139 0.000000\n0.000000 0.000000 8.585543\nTb B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.706085 Tb\n0.000000 0.000000 0.293915 Tb\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.667274 B\n0.333333 0.666667 0.667274 B\n0.333333 0.666667 0.332726 B\n0.666667 0.333333 0.332726 B\n0.500000 0.500000 0.835755 Rh\n0.500000 0.000000 0.835755 Rh\n0.000000 0.500000 0.835755 Rh\n0.500000 0.500000 0.164245 Rh\n0.500000 0.000000 0.164245 Rh\n0.000000 0.500000 0.164245 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Tb",
"B",
"Rh"
],
"chemical_system": "B-Rh-Tb",
"density": 9.266063114677433,
"density_atomic": 0.07247693603651473,
"volume": 234.5573768658653,
"volume_molar": 8.309044351662402,
"formula_full": "Tb2 B6 Rh9",
"formula_reduced": "Tb2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy": -126.44628277,
"energy_per_atom": -7.438016633529411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.44628277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.316000Z",
"spacegroup": 191
},
{
"id": "mp-1021209",
"created_at": "2022-09-04T14:40:28.797788Z",
"structure_string": "Na2 La2 Mg12\n1.0\n5.319162 0.000000 0.000000\n0.000000 6.775489 0.000000\n0.000000 0.000000 11.844058\nNa La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.159572 Na\n0.500000 0.000000 0.659572 Na\n0.000000 0.500000 0.335794 La\n0.000000 0.000000 0.835794 La\n0.000000 0.749458 0.080660 Mg\n0.000000 0.250542 0.080660 Mg\n0.000000 0.000000 0.337600 Mg\n0.500000 0.244917 0.419434 Mg\n0.500000 0.755083 0.419434 Mg\n0.500000 0.000000 0.166845 Mg\n0.000000 0.249458 0.580660 Mg\n0.000000 0.750542 0.580660 Mg\n0.000000 0.500000 0.837600 Mg\n0.500000 0.744917 0.919434 Mg\n0.500000 0.255083 0.919434 Mg\n0.500000 0.500000 0.666845 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"La",
"Mg"
],
"chemical_system": "La-Mg-Na",
"density": 2.3941856521109663,
"density_atomic": 0.03748310809032636,
"volume": 426.85894567343206,
"volume_molar": 16.066279096941255,
"formula_full": "Na2 La2 Mg12",
"formula_reduced": "NaLaMg6",
"formula_anonymous": "ABC6",
"energy": -30.54229954,
"energy_per_atom": -1.90889372125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.54229954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.733000Z",
"spacegroup": 38
},
{
"id": "mp-14090",
"created_at": "2022-09-04T14:40:33.408367Z",
"structure_string": "Tl2 Cu2 Se4\n1.0\n-2.977320 2.977320 6.003194\n2.977320 -2.977320 6.003194\n2.977320 2.977320 -6.003194\nTl Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Tl\n0.250000 0.750000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.327155 0.452155 Se\n0.875000 0.922845 0.547845 Se\n0.672845 0.125000 0.047845 Se\n0.077155 0.625000 0.952155 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 6.6441837032276245,
"density_atomic": 0.0375834451388904,
"volume": 212.85967719126958,
"volume_molar": 16.023386727174834,
"formula_full": "Tl2 Cu2 Se4",
"formula_reduced": "TlCuSe2",
"formula_anonymous": "ABC2",
"energy": -30.67368276,
"energy_per_atom": -3.834210345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.78568276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004952,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.389000Z",
"spacegroup": 122
},
{
"id": "mp-1218054",
"created_at": "2022-09-04T14:40:22.062375Z",
"structure_string": "Ta3 Re3 B4\n1.0\n0.000000 0.000000 3.067643\n6.256343 0.170483 0.000000\n0.170483 6.256343 0.000000\nTa Re B\n3 3 4\ndirect\n0.000000 0.509594 0.484559 Ta\n0.000000 0.984559 0.009594 Ta\n0.500000 0.170004 0.670004 Ta\n0.500000 0.865207 0.365207 Re\n0.500000 0.326880 0.151065 Re\n0.500000 0.651065 0.826880 Re\n0.000000 0.375819 0.875819 B\n0.000000 0.609495 0.109495 B\n0.000000 0.135642 0.371735 B\n0.000000 0.871735 0.635642 B\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"Re",
"B"
],
"chemical_system": "B-Re-Ta",
"density": 15.842391518230002,
"density_atomic": 0.08334444975516316,
"volume": 119.98399448765338,
"volume_molar": 7.225605037517127,
"formula_full": "Ta3 Re3 B4",
"formula_reduced": "Ta3Re3B4",
"formula_anonymous": "A3B3C4",
"energy": -102.89199761999998,
"energy_per_atom": -10.289199761999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.89199761999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.252000Z",
"spacegroup": 38
}
]
}