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=10247",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10245",
"results": [
{
"id": "mp-1787",
"created_at": "2022-09-04T14:44:41.837699Z",
"structure_string": "Nd1 Mg3\n1.0\n0.000000 3.709030 3.709030\n3.709030 0.000000 3.709030\n3.709030 3.709030 0.000000\nNd Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd",
"density": 3.5335553363763665,
"density_atomic": 0.03919665058231859,
"volume": 102.04953588060863,
"volume_molar": 15.363916739142393,
"formula_full": "Nd1 Mg3",
"formula_reduced": "NdMg3",
"formula_anonymous": "AB3",
"energy": -10.06871935,
"energy_per_atom": -2.5171798375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.06871935,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.718000Z",
"spacegroup": 225
},
{
"id": "mp-568397",
"created_at": "2022-09-04T14:42:24.042793Z",
"structure_string": "Cu8 Mo24 Cl56\n1.0\n13.094231 0.000000 0.000000\n0.000000 13.094231 0.000000\n0.000000 0.000000 13.094231\nCu Mo Cl\n8 24 56\ndirect\n0.188094 0.188094 0.188094 Cu\n0.311906 0.688094 0.688094 Cu\n0.688094 0.311906 0.688094 Cu\n0.188094 0.811906 0.811906 Cu\n0.311906 0.311906 0.311906 Cu\n0.688094 0.688094 0.311906 Cu\n0.811906 0.811906 0.188094 Cu\n0.811906 0.188094 0.811906 Cu\n0.614010 0.775259 0.718400 Mo\n0.385990 0.224741 0.718400 Mo\n0.718400 0.614010 0.775259 Mo\n0.781600 0.114010 0.275259 Mo\n0.885990 0.275259 0.218400 Mo\n0.724741 0.781600 0.885990 Mo\n0.224741 0.718400 0.385990 Mo\n0.718400 0.385990 0.224741 Mo\n0.724741 0.218400 0.114010 Mo\n0.218400 0.885990 0.275259 Mo\n0.775259 0.281600 0.385990 Mo\n0.114010 0.724741 0.218400 Mo\n0.275259 0.218400 0.885990 Mo\n0.281600 0.385990 0.775259 Mo\n0.218400 0.114010 0.724741 Mo\n0.885990 0.724741 0.781600 Mo\n0.275259 0.781600 0.114010 Mo\n0.114010 0.275259 0.781600 Mo\n0.781600 0.885990 0.724741 Mo\n0.224741 0.281600 0.614010 Mo\n0.281600 0.614010 0.224741 Mo\n0.775259 0.718400 0.614010 Mo\n0.385990 0.775259 0.281600 Mo\n0.614010 0.224741 0.281600 Mo\n0.432120 0.676143 0.126246 Cl\n0.176143 0.373754 0.932120 Cl\n0.884955 0.115045 0.115045 Cl\n0.323857 0.873754 0.432120 Cl\n0.873754 0.432120 0.323857 Cl\n0.115045 0.884955 0.115045 Cl\n0.066737 0.309270 0.171098 Cl\n0.433263 0.190730 0.328902 Cl\n0.932120 0.823857 0.626246 Cl\n0.309270 0.828902 0.933263 Cl\n0.309270 0.171098 0.066737 Cl\n0.115045 0.115045 0.884955 Cl\n0.676143 0.873754 0.567880 Cl\n0.933263 0.690730 0.171098 Cl\n0.615045 0.615045 0.615045 Cl\n0.126246 0.567880 0.323857 Cl\n0.066737 0.690730 0.828902 Cl\n0.873754 0.567880 0.676143 Cl\n0.567880 0.323857 0.126246 Cl\n0.328902 0.433263 0.190730 Cl\n0.823857 0.373754 0.067880 Cl\n0.176143 0.626246 0.067880 Cl\n0.373754 0.932120 0.176143 Cl\n0.384955 0.384955 0.615045 Cl\n0.126246 0.432120 0.676143 Cl\n0.809270 0.671098 0.433263 Cl\n0.433263 0.809270 0.671098 Cl\n0.384955 0.615045 0.384955 Cl\n0.566737 0.190730 0.671098 Cl\n0.932120 0.176143 0.373754 Cl\n0.432120 0.323857 0.873754 Cl\n0.373754 0.067880 0.823857 Cl\n0.626246 0.932120 0.823857 Cl\n0.171098 0.066737 0.309270 Cl\n0.566737 0.809270 0.328902 Cl\n0.823857 0.626246 0.932120 Cl\n0.933263 0.309270 0.828902 Cl\n0.690730 0.171098 0.933263 Cl\n0.067880 0.823857 0.373754 Cl\n0.323857 0.126246 0.567880 Cl\n0.676143 0.126246 0.432120 Cl\n0.615045 0.384955 0.384955 Cl\n0.884955 0.884955 0.884955 Cl\n0.809270 0.328902 0.566737 Cl\n0.171098 0.933263 0.690730 Cl\n0.190730 0.671098 0.566737 Cl\n0.671098 0.433263 0.809270 Cl\n0.328902 0.566737 0.809270 Cl\n0.671098 0.566737 0.190730 Cl\n0.828902 0.933263 0.309270 Cl\n0.190730 0.328902 0.433263 Cl\n0.690730 0.828902 0.066737 Cl\n0.067880 0.176143 0.626246 Cl\n0.828902 0.066737 0.690730 Cl\n0.626246 0.067880 0.176143 Cl\n0.567880 0.676143 0.873754 Cl\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"Cl"
],
"chemical_system": "Cl-Cu-Mo",
"density": 3.547440176398982,
"density_atomic": 0.03919608380478638,
"volume": 2245.1222534954877,
"volume_molar": 15.364138902225262,
"formula_full": "Cu8 Mo24 Cl56",
"formula_reduced": "CuMo3Cl7",
"formula_anonymous": "AB3C7",
"energy": -506.20447263,
"energy_per_atom": -5.752323552613636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -471.82047263,
"band_gap": 1.9195,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0297902,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.659000Z",
"spacegroup": 201
},
{
"id": "mp-675345",
"created_at": "2022-09-04T14:42:47.930116Z",
"structure_string": "Bi20 S24 Cl12\n1.0\n12.219519 0.000000 0.000000\n-3.937043 11.584083 0.000000\n-4.075474 -5.760466 10.093255\nBi S Cl\n20 24 12\ndirect\n0.023764 0.895881 0.312334 Bi\n0.692181 0.952119 0.103873 Bi\n0.516490 0.950774 0.685167 Bi\n0.665594 0.772800 0.354710 Bi\n0.222589 0.629819 0.368227 Bi\n0.105606 0.701316 0.968956 Bi\n0.301213 0.463774 0.039675 Bi\n0.696964 0.709636 0.700146 Bi\n0.371079 0.612534 0.765587 Bi\n0.024513 0.332260 0.442430 Bi\n0.992077 0.681558 0.569969 Bi\n0.629112 0.353052 0.219539 Bi\n0.290944 0.301954 0.270126 Bi\n0.689703 0.585605 0.009596 Bi\n0.848005 0.294290 0.027273 Bi\n0.797115 0.394432 0.636738 Bi\n0.343525 0.242425 0.633070 Bi\n0.407427 0.970621 0.310452 Bi\n0.312625 0.013874 0.896615 Bi\n0.957046 0.099045 0.655584 Bi\n0.166570 0.922957 0.163649 S\n0.332470 0.946281 0.476924 S\n0.863556 0.989124 0.386173 S\n0.077605 0.840298 0.834990 S\n0.331113 0.705803 0.203649 S\n0.847260 0.838025 0.077323 S\n0.526162 0.675989 0.041734 S\n0.287978 0.792628 0.661149 S\n0.511515 0.740872 0.522271 S\n0.845847 0.847228 0.598248 S\n0.601286 0.839127 0.846996 S\n0.150033 0.398546 0.152698 S\n0.784394 0.645235 0.271859 S\n0.042031 0.523594 0.660466 S\n0.477133 0.485475 0.260501 S\n0.266423 0.476449 0.483091 S\n0.738025 0.526570 0.511361 S\n0.528669 0.513314 0.733207 S\n0.960384 0.471559 0.329729 S\n0.212395 0.351490 0.713267 S\n0.845299 0.603583 0.841763 S\n0.402597 0.155403 0.156516 S\n0.159736 0.154264 0.394684 S\n0.629014 0.146477 0.020866 S\n0.991227 0.606005 0.134360 Cl\n0.389620 0.864474 0.998280 Cl\n0.494554 0.263246 0.477504 Cl\n0.729942 0.219054 0.352988 Cl\n0.475713 0.340734 0.963137 Cl\n0.163093 0.172686 0.917946 Cl\n0.673438 0.288678 0.817157 Cl\n0.929979 0.153558 0.162302 Cl\n0.001671 0.381074 0.847474 Cl\n0.151099 0.019820 0.627303 Cl\n0.692714 0.057686 0.541466 Cl\n0.831883 0.084929 0.846902 Cl\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-S",
"density": 6.246669823586218,
"density_atomic": 0.039195933289695714,
"volume": 1428.7196476763556,
"volume_molar": 15.36419790157968,
"formula_full": "Bi20 S24 Cl12",
"formula_reduced": "Bi5(S2Cl)3",
"formula_anonymous": "A3B5C6",
"energy": -245.04798575000004,
"energy_per_atom": -4.375856888392858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.60798575,
"band_gap": 1.4513000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.892000Z",
"spacegroup": 1
},
{
"id": "mp-22937",
"created_at": "2022-09-04T14:47:22.592320Z",
"structure_string": "Na4 I2 O1\n1.0\n-2.353755 2.353755 8.058885\n2.353755 -2.353755 8.058885\n2.353755 2.353755 -8.058885\nNa I O\n4 2 1\ndirect\n0.142765 0.142765 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.857235 0.857235 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.346773 0.346773 0.000000 I\n0.653227 0.653227 0.000000 I\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 3.3637296681764433,
"density_atomic": 0.03919589441201492,
"volume": 178.5901330996099,
"volume_molar": 15.364213141042656,
"formula_full": "Na4 I2 O1",
"formula_reduced": "Na4I2O",
"formula_anonymous": "AB2C4",
"energy": -23.64723186,
"energy_per_atom": -3.3781759800000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.20223186,
"band_gap": 2.2131000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003014,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.410000Z",
"spacegroup": 139
},
{
"id": "mp-974310",
"created_at": "2022-09-04T14:48:10.283277Z",
"structure_string": "In3 Ge1\n1.0\n0.000000 3.709068 3.709068\n3.709068 0.000000 3.709068\n3.709068 3.709068 0.000000\nIn Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ge"
],
"chemical_system": "Ge-In",
"density": 6.786700088960204,
"density_atomic": 0.03919544586663613,
"volume": 102.0526724867511,
"volume_molar": 15.364388966234861,
"formula_full": "In3 Ge1",
"formula_reduced": "In3Ge",
"formula_anonymous": "AB3",
"energy": -12.35935644,
"energy_per_atom": -3.08983911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.35935644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.229000Z",
"spacegroup": 225
},
{
"id": "mp-1210513",
"created_at": "2022-09-04T14:40:42.899282Z",
"structure_string": "Ni2 I12 N12\n1.0\n-0.876971 0.000000 5.491731\n-8.739425 7.111749 1.547561\n-8.739425 -7.111749 1.547561\nNi I N\n2 12 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.250000 0.599008 0.400992 I\n0.750000 0.400992 0.599008 I\n0.102977 0.137381 0.678422 I\n0.897023 0.862619 0.321578 I\n0.397023 0.321578 0.862619 I\n0.602977 0.678422 0.137381 I\n0.994080 0.872348 0.606093 I\n0.005920 0.127652 0.393907 I\n0.505920 0.393907 0.127652 I\n0.494080 0.606093 0.872348 I\n0.000000 0.000000 0.000000 I\n0.500000 0.000000 0.000000 I\n0.278214 0.165122 0.497468 N\n0.721786 0.834878 0.502532 N\n0.221786 0.502532 0.834878 N\n0.778214 0.497468 0.165122 N\n0.262337 0.968915 0.413688 N\n0.737663 0.031085 0.586312 N\n0.237663 0.586312 0.031085 N\n0.762337 0.413688 0.968915 N\n0.267819 0.955019 0.661045 N\n0.732181 0.044981 0.338955 N\n0.232181 0.338955 0.044981 N\n0.767819 0.661045 0.955019 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ni",
"I",
"N"
],
"chemical_system": "I-N-Ni",
"density": 4.526721653205479,
"density_atomic": 0.039195170125090356,
"volume": 663.3470378371029,
"volume_molar": 15.364497056092615,
"formula_full": "Ni2 I12 N12",
"formula_reduced": "Ni(IN)6",
"formula_anonymous": "AB6C6",
"energy": -105.07703991,
"energy_per_atom": -4.041424611923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.19703991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0167176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.657000Z",
"spacegroup": 15
},
{
"id": "mp-1184915",
"created_at": "2022-09-04T14:45:55.358526Z",
"structure_string": "In6 Ge2\n1.0\n3.334729 -5.775920 0.000000\n3.334729 5.775920 0.000000\n0.000000 0.000000 5.298441\nIn Ge\n6 2\ndirect\n0.171368 0.342736 0.250000 In\n0.657264 0.828632 0.250000 In\n0.171368 0.828632 0.250000 In\n0.828632 0.657264 0.750000 In\n0.342736 0.171368 0.750000 In\n0.828632 0.171368 0.750000 In\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Ge"
],
"chemical_system": "Ge-In",
"density": 6.786615139062064,
"density_atomic": 0.03919495525277516,
"volume": 204.10789981533574,
"volume_molar": 15.364581286449123,
"formula_full": "In6 Ge2",
"formula_reduced": "In3Ge",
"formula_anonymous": "AB3",
"energy": -24.62572641,
"energy_per_atom": -3.07821580125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.62572641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.822000Z",
"spacegroup": 194
},
{
"id": "mp-1200289",
"created_at": "2022-09-04T14:47:23.137286Z",
"structure_string": "As8 C16 S8 O4\n1.0\n0.000000 4.600761 0.000000\n-0.004858 0.000000 12.048207\n16.570719 -2.300380 -1.956471\nAs C S O\n8 16 8 4\ndirect\n0.135609 0.009479 0.182927 As\n0.952681 0.490521 0.817073 As\n0.864391 0.990521 0.817073 As\n0.047319 0.509479 0.182927 As\n0.420067 0.039383 0.377784 As\n0.042283 0.460617 0.622216 As\n0.579933 0.960617 0.622216 As\n0.957717 0.539383 0.377784 As\n0.522067 0.878306 0.063510 C\n0.458557 0.621694 0.936490 C\n0.477933 0.121694 0.936490 C\n0.541443 0.378306 0.063510 C\n0.421320 0.927226 0.129513 C\n0.291806 0.572774 0.870487 C\n0.578680 0.072774 0.870487 C\n0.708194 0.427226 0.129513 C\n0.006244 0.238107 0.420157 C\n0.586087 0.261893 0.579843 C\n0.993756 0.761893 0.579843 C\n0.413913 0.738107 0.420157 C\n0.114866 0.145709 0.384107 C\n0.730760 0.354291 0.615893 C\n0.885134 0.854291 0.615893 C\n0.269240 0.645709 0.384107 C\n0.402546 0.371007 0.163996 S\n0.238550 0.128993 0.836004 S\n0.597454 0.628993 0.836004 S\n0.761450 0.871007 0.163996 S\n0.755583 0.161513 0.333683 S\n0.421900 0.338487 0.666317 S\n0.244417 0.838487 0.666317 S\n0.578100 0.661513 0.333683 S\n0.299973 0.963171 0.279359 O\n0.020614 0.536829 0.720641 O\n0.700027 0.036829 0.720641 O\n0.979386 0.463171 0.279359 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"As",
"C",
"S",
"O"
],
"chemical_system": "As-C-O-S",
"density": 2.0105050643666513,
"density_atomic": 0.03919491528326722,
"volume": 918.4864858062043,
"volume_molar": 15.36459695467418,
"formula_full": "As8 C16 S8 O4",
"formula_reduced": "As2C4S2O",
"formula_anonymous": "AB2C2D4",
"energy": -213.46718866,
"energy_per_atom": -5.929644129444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.69518866,
"band_gap": 1.9065,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.653000Z",
"spacegroup": 15
},
{
"id": "mp-7083",
"created_at": "2022-09-04T14:47:58.699970Z",
"structure_string": "La4 Si4\n1.0\n2.284154 -6.701692 0.000000\n2.284154 6.701692 0.000000\n0.000000 0.000000 6.666998\nLa Si\n4 4\ndirect\n0.274122 0.725878 0.250000 La\n0.725878 0.274122 0.750000 La\n0.551763 0.448237 0.250000 La\n0.448237 0.551763 0.750000 La\n0.091363 0.908637 0.937025 Si\n0.908637 0.091363 0.062975 Si\n0.908637 0.091363 0.437025 Si\n0.091363 0.908637 0.562975 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Si"
],
"chemical_system": "La-Si",
"density": 5.434153603164276,
"density_atomic": 0.03919402099529764,
"volume": 204.1127650811794,
"volume_molar": 15.36494752789594,
"formula_full": "La4 Si4",
"formula_reduced": "LaSi",
"formula_anonymous": "AB",
"energy": -47.16783574,
"energy_per_atom": -5.8959794675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.45183574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.666000Z",
"spacegroup": 63
},
{
"id": "mp-863654",
"created_at": "2022-09-04T14:39:47.011565Z",
"structure_string": "Pm2 Cd1 Si1\n1.0\n0.000000 3.709114 3.709114\n3.709114 0.000000 3.709114\n3.709114 3.709114 0.000000\nPm Cd Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Si"
],
"chemical_system": "Cd-Pm-Si",
"density": 7.004516809836836,
"density_atomic": 0.03919398759265252,
"volume": 102.05646951701995,
"volume_molar": 15.364960622503585,
"formula_full": "Pm2 Cd1 Si1",
"formula_reduced": "Pm2CdSi",
"formula_anonymous": "ABC2",
"energy": -17.34617968,
"energy_per_atom": -4.33654492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.41717968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.541000Z",
"spacegroup": 225
},
{
"id": "mp-1106336",
"created_at": "2022-09-04T14:43:24.099907Z",
"structure_string": "Ho14 Rh6\n1.0\n4.889142 -8.468242 0.000000\n4.889142 8.468242 0.000000\n0.000000 0.000000 6.162623\nHo Rh\n14 6\ndirect\n0.333333 0.666667 0.453769 Ho\n0.666667 0.333333 0.953769 Ho\n0.124353 0.875647 0.252864 Ho\n0.751294 0.875647 0.252864 Ho\n0.124353 0.248706 0.252864 Ho\n0.875647 0.124353 0.752864 Ho\n0.248706 0.124353 0.752864 Ho\n0.875647 0.751294 0.752864 Ho\n0.540407 0.459593 0.448328 Ho\n0.919187 0.459593 0.448328 Ho\n0.540407 0.080813 0.448328 Ho\n0.459593 0.540407 0.948328 Ho\n0.080813 0.540407 0.948328 Ho\n0.459593 0.919187 0.948328 Ho\n0.809633 0.190367 0.181475 Rh\n0.380733 0.190367 0.181475 Rh\n0.809633 0.619267 0.181475 Rh\n0.190367 0.809633 0.681475 Rh\n0.619267 0.809633 0.681475 Rh\n0.190367 0.380733 0.681475 Rh\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ho",
"Rh"
],
"chemical_system": "Ho-Rh",
"density": 9.522912812655884,
"density_atomic": 0.03919299823405573,
"volume": 510.29522876924284,
"volume_molar": 15.365348484023908,
"formula_full": "Ho14 Rh6",
"formula_reduced": "Ho7Rh3",
"formula_anonymous": "A3B7",
"energy": -120.96482373,
"energy_per_atom": -6.0482411865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.96482373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.645000Z",
"spacegroup": 186
},
{
"id": "mp-567369",
"created_at": "2022-09-04T14:39:47.427009Z",
"structure_string": "Nd4 Mg3 Co2\n1.0\n3.850357 0.000000 0.000000\n0.000000 7.626434 0.000000\n0.000000 2.815091 7.820211\nNd Mg Co\n4 3 2\ndirect\n0.500000 0.601964 0.182112 Nd\n0.500000 0.903248 0.725202 Nd\n0.500000 0.096752 0.274798 Nd\n0.500000 0.398036 0.817888 Nd\n0.000000 0.706269 0.501636 Mg\n0.000000 0.293731 0.498364 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.351996 0.105514 Co\n0.000000 0.648004 0.894486 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Nd",
"density": 5.551720476081409,
"density_atomic": 0.03919236974036704,
"volume": 229.6365353669914,
"volume_molar": 15.365594884652674,
"formula_full": "Nd4 Mg3 Co2",
"formula_reduced": "Nd4Mg3Co2",
"formula_anonymous": "A2B3C4",
"energy": -39.04887996,
"energy_per_atom": -4.33876444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.04887996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4230701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.877000Z",
"spacegroup": 10
}
]
}