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=elements&page=10213",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10211",
"results": [
{
"id": "mp-1113668",
"created_at": "2022-09-04T14:43:05.271585Z",
"structure_string": "Rb2 Na1 Ru1 F6\n1.0\n0.000000 4.336310 4.336310\n4.336310 0.000000 4.336310\n4.336310 4.336310 0.000000\nRb Na Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ru\n0.234399 0.234399 0.765601 F\n0.234399 0.765601 0.765601 F\n0.765601 0.765601 0.234399 F\n0.234399 0.765601 0.234399 F\n0.765601 0.234399 0.765601 F\n0.765601 0.234399 0.234399 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ru",
"F"
],
"chemical_system": "F-Na-Rb-Ru",
"density": 4.164533432411369,
"density_atomic": 0.061320973111515686,
"volume": 163.0763422787572,
"volume_molar": 9.820686878286152,
"formula_full": "Rb2 Na1 Ru1 F6",
"formula_reduced": "Rb2NaRuF6",
"formula_anonymous": "ABC2D6",
"energy": -50.32314954,
"energy_per_atom": -5.032314954,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.55114954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0003754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.087000Z",
"spacegroup": 225
},
{
"id": "mp-12046",
"created_at": "2022-09-04T14:42:52.241941Z",
"structure_string": "Rb3 Na1 Ru2 O8\n1.0\n3.103765 -5.375879 0.000000\n3.103765 5.375879 0.000000\n0.000000 0.000000 8.064527\nRb Na Ru O\n3 1 2 8\ndirect\n0.666667 0.333333 0.340916 Rb\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.659084 Rb\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.778822 Ru\n0.333333 0.666667 0.221178 Ru\n0.177990 0.355980 0.307526 O\n0.644020 0.822010 0.307526 O\n0.177990 0.822010 0.307526 O\n0.822010 0.644020 0.692474 O\n0.822010 0.177990 0.692474 O\n0.355980 0.177990 0.692474 O\n0.666667 0.333333 0.998464 O\n0.333333 0.666667 0.001536 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ru",
"O"
],
"chemical_system": "Na-O-Rb-Ru",
"density": 3.760934837217887,
"density_atomic": 0.05202125475946654,
"volume": 269.1207673619667,
"volume_molar": 11.576308160664126,
"formula_full": "Rb3 Na1 Ru2 O8",
"formula_reduced": "Rb3Na(RuO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -86.29330419,
"energy_per_atom": -6.163807442142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.79730419,
"band_gap": 0.5102,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0026045,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.314000Z",
"spacegroup": 164
},
{
"id": "mp-1110700",
"created_at": "2022-09-04T14:46:42.597049Z",
"structure_string": "Rb2 Na1 Sb1 Br6\n1.0\n0.000000 5.731248 5.731248\n5.731248 0.000000 5.731248\n5.731248 5.731248 0.000000\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754805 0.245195 0.245195 Br\n0.245195 0.245195 0.754805 Br\n0.245195 0.754805 0.754805 Br\n0.245195 0.754805 0.245195 Br\n0.754805 0.245195 0.754805 Br\n0.754805 0.754805 0.245195 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"Br"
],
"chemical_system": "Br-Na-Rb-Sb",
"density": 3.506698022734248,
"density_atomic": 0.026559653198578382,
"volume": 376.51094030607504,
"volume_molar": 22.674018802031416,
"formula_full": "Rb2 Na1 Sb1 Br6",
"formula_reduced": "Rb2NaSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.19835317,
"energy_per_atom": -3.319835317,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.99435317,
"band_gap": 2.5605,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.063000Z",
"spacegroup": 225
},
{
"id": "mp-989545",
"created_at": "2022-09-04T14:43:38.683051Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.424014 5.424014\n5.424014 0.000000 5.424014\n5.424014 5.424014 0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754937 0.245063 0.245063 Cl\n0.245063 0.245063 0.754937 Cl\n0.245063 0.754937 0.754937 Cl\n0.245063 0.754937 0.245063 Cl\n0.754937 0.245063 0.754937 Cl\n0.754937 0.754937 0.245063 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sb",
"density": 2.7493009015737164,
"density_atomic": 0.031333405479896,
"volume": 319.1482013155626,
"volume_molar": 19.21955391623135,
"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.27937124,
"energy_per_atom": -3.7279371240000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.59537124,
"band_gap": 3.0525,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.260000Z",
"spacegroup": 225
},
{
"id": "mp-989541",
"created_at": "2022-09-04T14:48:05.728742Z",
"structure_string": "Rb2 Na1 Sb1 F6\n1.0\n0.000000 4.531817 4.531817\n4.531817 0.000000 4.531817\n4.531817 4.531817 0.000000\nRb Na Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.756298 0.243702 0.243702 F\n0.243702 0.243702 0.756298 F\n0.243702 0.756298 0.756298 F\n0.243702 0.756298 0.243702 F\n0.756298 0.243702 0.756298 F\n0.756298 0.756298 0.243702 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"F"
],
"chemical_system": "F-Na-Rb-Sb",
"density": 3.833035942786944,
"density_atomic": 0.053722091429067684,
"volume": 186.14316259826865,
"volume_molar": 11.209803266783412,
"formula_full": "Rb2 Na1 Sb1 F6",
"formula_reduced": "Rb2NaSbF6",
"formula_anonymous": "ABC2D6",
"energy": -47.74754245,
"energy_per_atom": -4.774754245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.97554245,
"band_gap": 4.124899999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.126000Z",
"spacegroup": 225
},
{
"id": "mp-1110768",
"created_at": "2022-09-04T14:44:21.108689Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n0.000000 6.170131 6.170131\n6.170131 0.000000 6.170131\n6.170131 6.170131 0.000000\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754974 0.245026 0.245026 I\n0.245026 0.245026 0.754974 I\n0.245026 0.754974 0.754974 I\n0.245026 0.754974 0.245026 I\n0.754974 0.245026 0.754974 I\n0.754974 0.754974 0.245026 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sb",
"I"
],
"chemical_system": "I-Na-Rb-Sb",
"density": 3.807122824491285,
"density_atomic": 0.021285646728168635,
"volume": 469.8001487907046,
"volume_molar": 28.292026250865668,
"formula_full": "Rb2 Na1 Sb1 I6",
"formula_reduced": "Rb2NaSbI6",
"formula_anonymous": "ABC2D6",
"energy": -28.45045081,
"energy_per_atom": -2.845045081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.17645081,
"band_gap": 1.8884000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.967000Z",
"spacegroup": 225
},
{
"id": "mp-1114016",
"created_at": "2022-09-04T14:39:27.785715Z",
"structure_string": "Rb2 Na1 Sc1 Br6\n1.0\n0.000000 5.578141 5.578141\n5.578141 0.000000 5.578141\n5.578141 5.578141 0.000000\nRb Na Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.761580 0.238420 0.238420 Br\n0.238420 0.238420 0.761580 Br\n0.238420 0.761580 0.761580 Br\n0.238420 0.761580 0.238420 Br\n0.761580 0.238420 0.761580 Br\n0.761580 0.761580 0.238420 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Br"
],
"chemical_system": "Br-Na-Rb-Sc",
"density": 3.4360517641461956,
"density_atomic": 0.02880723270280333,
"volume": 347.13504428444685,
"volume_molar": 20.904960994097724,
"formula_full": "Rb2 Na1 Sc1 Br6",
"formula_reduced": "Rb2NaScBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.98763002,
"energy_per_atom": -3.9987630019999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.78363002,
"band_gap": 3.1115,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.252000Z",
"spacegroup": 225
},
{
"id": "mp-1113963",
"created_at": "2022-09-04T14:42:13.460262Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n0.000000 5.261122 5.261122\n5.261122 0.000000 5.261122\n5.261122 5.261122 0.000000\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.762582 0.237418 0.237418 Cl\n0.237418 0.237418 0.762582 Cl\n0.237418 0.762582 0.762582 Cl\n0.237418 0.762582 0.237418 Cl\n0.762582 0.237418 0.762582 Cl\n0.762582 0.762582 0.237418 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sc",
"density": 2.5747627985964803,
"density_atomic": 0.03433482878486731,
"volume": 291.249450016404,
"volume_molar": 17.539451842713696,
"formula_full": "Rb2 Na1 Sc1 Cl6",
"formula_reduced": "Rb2NaScCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.74272725,
"energy_per_atom": -4.4742727250000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.05872724999999,
"band_gap": 3.9108,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.165000Z",
"spacegroup": 225
},
{
"id": "mp-1113669",
"created_at": "2022-09-04T14:44:23.774611Z",
"structure_string": "Rb2 Na1 Sc1 F6\n1.0\n0.000000 4.374532 4.374532\n4.374532 0.000000 4.374532\n4.374532 4.374532 0.000000\nRb Na Sc F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.766769 0.233231 0.233231 F\n0.233231 0.233231 0.766769 F\n0.233231 0.766769 0.766769 F\n0.233231 0.766769 0.233231 F\n0.766769 0.233231 0.766769 F\n0.766769 0.766769 0.233231 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"F"
],
"chemical_system": "F-Na-Rb-Sc",
"density": 3.499783173567841,
"density_atomic": 0.05972762020677565,
"volume": 167.42672762417504,
"volume_molar": 10.082673207389625,
"formula_full": "Rb2 Na1 Sc1 F6",
"formula_reduced": "Rb2NaScF6",
"formula_anonymous": "ABC2D6",
"energy": -56.86235418,
"energy_per_atom": -5.686235418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.090354180000006,
"band_gap": 6.9076,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.032000Z",
"spacegroup": 225
},
{
"id": "mp-1114119",
"created_at": "2022-09-04T14:41:10.983940Z",
"structure_string": "Rb2 Na1 Sc1 I6\n1.0\n0.000000 6.042747 6.042747\n6.042747 0.000000 6.042747\n6.042747 6.042747 0.000000\nRb Na Sc I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.760575 0.239425 0.239425 I\n0.239425 0.239425 0.760575 I\n0.239425 0.760575 0.760575 I\n0.239425 0.760575 0.239425 I\n0.760575 0.239425 0.760575 I\n0.760575 0.760575 0.239425 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Sc",
"I"
],
"chemical_system": "I-Na-Rb-Sc",
"density": 3.7640003366977064,
"density_atomic": 0.022660358170756657,
"volume": 441.299291240024,
"volume_molar": 26.575664491356598,
"formula_full": "Rb2 Na1 Sc1 I6",
"formula_reduced": "Rb2NaScI6",
"formula_anonymous": "ABC2D6",
"energy": -34.39522203,
"energy_per_atom": -3.439522203,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.12122203,
"band_gap": 2.2079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.850000Z",
"spacegroup": 225
},
{
"id": "mp-557656",
"created_at": "2022-09-04T14:48:18.305883Z",
"structure_string": "Rb4 Na4 Si8 O20\n1.0\n13.780821 0.000000 0.000000\n0.000000 4.943746 0.000000\n0.000000 0.137975 7.911999\nRb Na Si O\n4 4 8 20\ndirect\n0.802884 0.279939 0.784435 Rb\n0.697116 0.279939 0.284435 Rb\n0.302884 0.720061 0.715565 Rb\n0.197116 0.720061 0.215565 Rb\n0.092263 0.229800 0.961021 Na\n0.407737 0.229800 0.461021 Na\n0.907737 0.770200 0.038979 Na\n0.592263 0.770200 0.538979 Na\n0.545381 0.297244 0.789698 Si\n0.630671 0.792347 0.979323 Si\n0.130671 0.207653 0.520677 Si\n0.045381 0.702756 0.710302 Si\n0.369329 0.207653 0.020677 Si\n0.454619 0.702756 0.210302 Si\n0.954619 0.297244 0.289698 Si\n0.869329 0.792347 0.479323 Si\n0.927908 0.617566 0.332837 O\n0.065239 0.758411 0.904829 O\n0.572092 0.617566 0.832837 O\n0.111366 0.884999 0.574932 O\n0.565239 0.241589 0.595171 O\n0.072092 0.382434 0.667163 O\n0.571477 0.745581 0.162635 O\n0.928523 0.745581 0.662635 O\n0.742543 0.728243 0.999771 O\n0.888634 0.115001 0.425068 O\n0.071477 0.254419 0.337365 O\n0.427908 0.382434 0.167163 O\n0.428523 0.254419 0.837365 O\n0.611366 0.115001 0.925068 O\n0.257457 0.271757 0.000229 O\n0.434761 0.758411 0.404829 O\n0.757457 0.728243 0.499771 O\n0.934761 0.241589 0.095171 O\n0.388634 0.884999 0.074932 O\n0.242543 0.271757 0.500229 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Rb-Si",
"density": 3.0143485834652277,
"density_atomic": 0.0667859389193557,
"volume": 539.0356201096483,
"volume_molar": 9.017078830428302,
"formula_full": "Rb4 Na4 Si8 O20",
"formula_reduced": "RbNaSi2O5",
"formula_anonymous": "ABC2D5",
"energy": -256.20392372,
"energy_per_atom": -7.116775658888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -242.46392372,
"band_gap": 4.4435,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031716,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:44.413000Z",
"spacegroup": 14
},
{
"id": "mp-559711",
"created_at": "2022-09-04T14:45:57.592949Z",
"structure_string": "Rb16 Na16 Si8 O32\n1.0\n9.928733 0.000000 0.000000\n0.000000 11.045437 0.000000\n0.000000 0.000000 11.269671\nRb Na Si O\n16 16 8 32\ndirect\n0.640161 0.150508 0.636535 Rb\n0.140161 0.349492 0.363465 Rb\n0.298392 0.937171 0.035556 Rb\n0.701608 0.437171 0.464444 Rb\n0.798392 0.562829 0.964444 Rb\n0.359839 0.650508 0.863465 Rb\n0.640161 0.349492 0.136535 Rb\n0.140161 0.150508 0.863465 Rb\n0.859839 0.849492 0.136535 Rb\n0.298392 0.562829 0.535556 Rb\n0.701608 0.062829 0.964444 Rb\n0.359839 0.849492 0.363465 Rb\n0.201608 0.062829 0.535556 Rb\n0.201608 0.437171 0.035556 Rb\n0.798392 0.937171 0.464444 Rb\n0.859839 0.650508 0.636535 Rb\n0.033148 0.749275 0.906389 Na\n0.966852 0.250725 0.093611 Na\n0.908153 0.951263 0.746508 Na\n0.033148 0.750725 0.406389 Na\n0.908153 0.548737 0.246508 Na\n0.591847 0.048737 0.246508 Na\n0.408153 0.548737 0.253492 Na\n0.091847 0.048737 0.253492 Na\n0.533148 0.749275 0.593611 Na\n0.091847 0.451263 0.753492 Na\n0.466852 0.249275 0.906389 Na\n0.466852 0.250725 0.406389 Na\n0.533148 0.750725 0.093611 Na\n0.591847 0.451263 0.746508 Na\n0.966852 0.249275 0.593611 Na\n0.408153 0.951263 0.753492 Na\n0.157661 0.804425 0.682173 Si\n0.342339 0.304425 0.682173 Si\n0.157661 0.695575 0.182173 Si\n0.657661 0.695575 0.317827 Si\n0.657661 0.804425 0.817827 Si\n0.342339 0.195575 0.182173 Si\n0.842339 0.304425 0.817827 Si\n0.842339 0.195575 0.317827 Si\n0.841866 0.105982 0.197870 O\n0.878125 0.163226 0.773915 O\n0.460781 0.148056 0.088368 O\n0.158134 0.605982 0.302130 O\n0.190666 0.310428 0.619312 O\n0.039219 0.851944 0.588368 O\n0.309334 0.689572 0.119312 O\n0.690666 0.310428 0.880688 O\n0.960781 0.351944 0.911632 O\n0.378125 0.336774 0.226085 O\n0.690666 0.189572 0.380688 O\n0.809334 0.810428 0.880688 O\n0.460781 0.351944 0.588368 O\n0.960781 0.148056 0.411632 O\n0.841866 0.394018 0.697870 O\n0.539219 0.851944 0.911632 O\n0.658134 0.605982 0.197870 O\n0.378125 0.163226 0.726085 O\n0.158134 0.894018 0.802130 O\n0.658134 0.894018 0.697870 O\n0.878125 0.336774 0.273915 O\n0.309334 0.810428 0.619312 O\n0.341866 0.394018 0.802130 O\n0.621875 0.663226 0.773915 O\n0.121875 0.836774 0.226085 O\n0.190666 0.189572 0.119312 O\n0.341866 0.105982 0.302130 O\n0.539219 0.648056 0.411632 O\n0.039219 0.648056 0.088368 O\n0.809334 0.689572 0.380688 O\n0.621875 0.836774 0.273915 O\n0.121875 0.663226 0.726085 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Rb-Si",
"density": 3.321292430027926,
"density_atomic": 0.05825651808562327,
"volume": 1235.9132053545848,
"volume_molar": 10.33728234692791,
"formula_full": "Rb16 Na16 Si8 O32",
"formula_reduced": "Rb2Na2SiO4",
"formula_anonymous": "AB2C2D4",
"energy": -406.71365949,
"energy_per_atom": -5.64880082625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.72965949,
"band_gap": 3.5539,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.527000Z",
"spacegroup": 61
}
]
}