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_stable&page=167",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=165",
"results": [
{
"id": "mp-775218",
"created_at": "2022-09-04T14:43:20.119816Z",
"structure_string": "Mn1 Nb3 P6 O24\n1.0\n7.837215 -4.393528 0.000000\n7.837215 4.393528 0.000000\n5.374211 0.000000 7.200200\nMn Nb P O\n1 3 6 24\ndirect\n0.143147 0.143147 0.143147 Mn\n0.859439 0.859439 0.859439 Nb\n0.641657 0.641657 0.641657 Nb\n0.360432 0.360432 0.360432 Nb\n0.529198 0.967601 0.249467 P\n0.249467 0.529198 0.967601 P\n0.967601 0.249467 0.529198 P\n0.034683 0.757490 0.459956 P\n0.757490 0.459956 0.034683 P\n0.459956 0.034683 0.757490 P\n0.500234 0.867306 0.715774 O\n0.867306 0.715774 0.500234 O\n0.711300 0.937712 0.079909 O\n0.715774 0.500234 0.867306 O\n0.566813 0.789706 0.419448 O\n0.366204 0.987714 0.224113 O\n0.079909 0.711300 0.937712 O\n0.419448 0.566813 0.789706 O\n0.789706 0.419448 0.566813 O\n0.003400 0.780104 0.635241 O\n0.058618 0.921920 0.284860 O\n0.780104 0.635241 0.003400 O\n0.224113 0.366204 0.987714 O\n0.937712 0.079909 0.711300 O\n0.987714 0.224113 0.366204 O\n0.209681 0.578818 0.439534 O\n0.578818 0.439534 0.209681 O\n0.921920 0.284860 0.058618 O\n0.635241 0.003400 0.780104 O\n0.439534 0.209681 0.578818 O\n0.280531 0.502993 0.134996 O\n0.284860 0.058618 0.921920 O\n0.134996 0.280531 0.502993 O\n0.502993 0.134996 0.280531 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Mn",
"Nb",
"P",
"O"
],
"chemical_system": "Mn-Nb-O-P",
"density": 3.0256626243773064,
"density_atomic": 0.06856921883320677,
"volume": 495.84931225050576,
"volume_molar": 8.78257162976982,
"formula_full": "Mn1 Nb3 P6 O24",
"formula_reduced": "MnNb3(PO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -285.19181349,
"energy_per_atom": -8.387994514411766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.03581349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0007536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.672000Z",
"spacegroup": 146
},
{
"id": "mp-6414",
"created_at": "2022-09-04T14:43:20.124699Z",
"structure_string": "Ca12 Cr8 Si12 O48\n1.0\n-6.078819 6.078819 6.078819\n6.078819 -6.078819 6.078819\n6.078819 6.078819 -6.078819\nCa Cr Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.250000 0.875000 0.625000 Ca\n0.125000 0.250000 0.375000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.586998 0.892713 0.383981 O\n0.383981 0.586998 0.892713 O\n0.296983 0.305715 0.913002 O\n0.491268 0.607287 0.194285 O\n0.305715 0.892713 0.008732 O\n0.116019 0.008732 0.203017 O\n0.383981 0.296983 0.491268 O\n0.892713 0.383981 0.586998 O\n0.194285 0.203017 0.586998 O\n0.491268 0.383981 0.296983 O\n0.892713 0.008732 0.305715 O\n0.607287 0.913002 0.116019 O\n0.913002 0.116019 0.607287 O\n0.296983 0.491268 0.383981 O\n0.586998 0.194285 0.203017 O\n0.203017 0.586998 0.194285 O\n0.008732 0.305715 0.892713 O\n0.913002 0.296983 0.305715 O\n0.008732 0.203017 0.116019 O\n0.805715 0.796983 0.413002 O\n0.194285 0.491268 0.607287 O\n0.607287 0.194285 0.491268 O\n0.203017 0.116019 0.008732 O\n0.116019 0.607287 0.913002 O\n0.413002 0.107287 0.616019 O\n0.616019 0.413002 0.107287 O\n0.703017 0.694285 0.086998 O\n0.508732 0.392713 0.805715 O\n0.694285 0.107287 0.991268 O\n0.883981 0.991268 0.796983 O\n0.616019 0.703017 0.508732 O\n0.107287 0.616019 0.413002 O\n0.883981 0.392713 0.086998 O\n0.796983 0.883981 0.991268 O\n0.392713 0.805715 0.508732 O\n0.694285 0.086998 0.703017 O\n0.805715 0.508732 0.392713 O\n0.991268 0.796983 0.883981 O\n0.086998 0.703017 0.694285 O\n0.991268 0.694285 0.107287 O\n0.796983 0.413002 0.805715 O\n0.413002 0.805715 0.796983 O\n0.703017 0.508732 0.616019 O\n0.086998 0.883981 0.392713 O\n0.392713 0.086998 0.883981 O\n0.107287 0.991268 0.694285 O\n0.508732 0.616019 0.703017 O\n0.305715 0.913002 0.296983 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Si",
"O"
],
"chemical_system": "Ca-Cr-O-Si",
"density": 3.6997662205099493,
"density_atomic": 0.08903737732098288,
"volume": 898.4990619343738,
"volume_molar": 6.763609779620945,
"formula_full": "Ca12 Cr8 Si12 O48",
"formula_reduced": "Ca3Cr2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -659.20660828,
"energy_per_atom": -8.2400826035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -610.23860828,
"band_gap": 3.0111,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.9993135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.750000Z",
"spacegroup": 230
},
{
"id": "mp-1213650",
"created_at": "2022-09-04T14:43:20.130232Z",
"structure_string": "Cs2 Er2 Mn2 Se6\n1.0\n2.113223 -8.093012 0.000000\n2.113223 8.093012 0.000000\n0.000000 0.000000 11.011240\nCs Er Mn Se\n2 2 2 6\ndirect\n0.257288 0.742712 0.250000 Cs\n0.742712 0.257288 0.750000 Cs\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.537205 0.462795 0.250000 Mn\n0.462795 0.537205 0.750000 Mn\n0.614930 0.385070 0.055134 Se\n0.385070 0.614930 0.944866 Se\n0.385070 0.614930 0.555134 Se\n0.614930 0.385070 0.444866 Se\n0.945839 0.054161 0.250000 Se\n0.054161 0.945839 0.750000 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cs",
"Er",
"Mn",
"Se"
],
"chemical_system": "Cs-Er-Mn-Se",
"density": 5.219948543070007,
"density_atomic": 0.0318610077782398,
"volume": 376.6359207317878,
"volume_molar": 18.901287749325235,
"formula_full": "Cs2 Er2 Mn2 Se6",
"formula_reduced": "CsErMnSe3",
"formula_anonymous": "ABCD3",
"energy": -68.99151827,
"energy_per_atom": -5.749293189166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.15951827,
"band_gap": 0.5140000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.293000Z",
"spacegroup": 63
},
{
"id": "mp-1208389",
"created_at": "2022-09-04T14:43:20.135910Z",
"structure_string": "U2 Ni1 As2 H24 O24\n1.0\n0.046979 -7.112068 -0.876238\n-7.142614 0.042788 -1.018898\n0.085027 0.339896 -11.298826\nU Ni As H O\n2 1 2 24 24\ndirect\n0.228224 0.722688 0.581637 U\n0.771776 0.277312 0.418363 U\n0.000000 0.000000 0.000000 Ni\n0.740322 0.756693 0.499026 As\n0.259678 0.243307 0.500974 As\n0.717990 0.819477 0.926730 H\n0.282010 0.180523 0.073270 H\n0.348359 0.911691 0.901469 H\n0.651641 0.088309 0.098531 H\n0.828478 0.050596 0.804220 H\n0.171522 0.949404 0.195780 H\n0.901096 0.246322 0.820478 H\n0.098904 0.753678 0.179522 H\n0.564461 0.909645 0.729482 H\n0.435539 0.090355 0.270518 H\n0.828003 0.541121 0.730548 H\n0.171997 0.458879 0.269452 H\n0.625650 0.650283 0.257221 H\n0.374350 0.349717 0.742779 H\n0.730833 0.724278 0.058741 H\n0.269167 0.275722 0.941259 H\n0.469808 0.906629 0.205621 H\n0.530192 0.093371 0.794379 H\n0.197701 0.780301 0.870697 H\n0.802299 0.219699 0.129303 H\n0.548221 0.381418 0.816637 H\n0.451779 0.618582 0.183363 H\n0.823037 0.536113 0.870484 H\n0.176963 0.463887 0.129516 H\n0.910518 0.683153 0.592546 O\n0.089482 0.316847 0.407454 O\n0.576962 0.960940 0.805074 O\n0.423038 0.039060 0.194926 O\n0.432845 0.304871 0.817608 O\n0.567155 0.695129 0.182392 O\n0.195427 0.683032 0.746400 O\n0.804574 0.316968 0.253600 O\n0.796846 0.967221 0.415816 O\n0.203154 0.032779 0.584184 O\n0.787144 0.464227 0.808332 O\n0.212856 0.535773 0.191668 O\n0.741521 0.252565 0.581195 O\n0.258479 0.747435 0.418805 O\n0.540593 0.772502 0.594425 O\n0.459407 0.227498 0.405575 O\n0.061377 0.887703 0.171057 O\n0.938623 0.112297 0.828943 O\n0.809774 0.766054 0.981674 O\n0.190226 0.233946 0.018326 O\n0.717131 0.595110 0.402193 O\n0.282869 0.404890 0.597807 O\n0.227736 0.852576 0.935880 O\n0.772264 0.147424 0.064120 O\n",
"nsites": 53,
"nelements": 5,
"elements": [
"U",
"Ni",
"As",
"H",
"O"
],
"chemical_system": "As-H-Ni-O-U",
"density": 3.146467547948737,
"density_atomic": 0.09190116879652628,
"volume": 576.7064847384544,
"volume_molar": 6.552844581697669,
"formula_full": "U2 Ni1 As2 H24 O24",
"formula_reduced": "U2NiAs2(HO)24",
"formula_anonymous": "AB2C2D24E24",
"energy": -326.79808011,
"energy_per_atom": -6.1660015115094335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.76908011,
"band_gap": 2.4352,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9960983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.622000Z",
"spacegroup": 2
},
{
"id": "mp-28486",
"created_at": "2022-09-04T14:43:20.138553Z",
"structure_string": "Cs4 Ni6 S8\n1.0\n2.945814 -5.102300 0.000000\n2.945814 5.102300 0.000000\n0.000000 0.000000 15.236184\nCs Ni S\n4 6 8\ndirect\n0.333333 0.666667 0.909193 Cs\n0.666667 0.333333 0.409193 Cs\n0.666667 0.333333 0.090807 Cs\n0.333333 0.666667 0.590807 Cs\n0.166486 0.833514 0.250000 Ni\n0.833514 0.667028 0.750000 Ni\n0.833514 0.166486 0.750000 Ni\n0.166486 0.332972 0.250000 Ni\n0.332972 0.166486 0.750000 Ni\n0.667028 0.833514 0.250000 Ni\n0.333333 0.666667 0.343463 S\n0.666667 0.333333 0.843463 S\n0.666667 0.333333 0.656537 S\n0.333333 0.666667 0.156537 S\n0.000000 0.000000 0.657111 S\n0.000000 0.000000 0.157111 S\n0.000000 0.000000 0.842889 S\n0.000000 0.000000 0.342889 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cs",
"Ni",
"S"
],
"chemical_system": "Cs-Ni-S",
"density": 4.1342006036417915,
"density_atomic": 0.03930022063815999,
"volume": 458.0126957995305,
"volume_molar": 15.323427355399074,
"formula_full": "Cs4 Ni6 S8",
"formula_reduced": "Cs2Ni3S4",
"formula_anonymous": "A2B3C4",
"energy": -88.76921679,
"energy_per_atom": -4.9316231550000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.74521679,
"band_gap": 0.9065999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.995000Z",
"spacegroup": 194
},
{
"id": "mp-1196364",
"created_at": "2022-09-04T14:43:20.142530Z",
"structure_string": "Rb1 H18 Ru1 N6 Cl4 O8\n1.0\n-3.699573 -6.407849 0.000000\n3.699573 -6.407849 0.000000\n0.000000 -4.271899 9.267184\nRb H Ru N Cl O\n1 18 1 6 4 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.575059 0.181553 0.061836 H\n0.181553 0.181553 0.061836 H\n0.181553 0.575059 0.061836 H\n0.424941 0.818447 0.938164 H\n0.818447 0.818447 0.938164 H\n0.818447 0.424941 0.938164 H\n0.647469 0.968732 0.194170 H\n0.968732 0.189629 0.194170 H\n0.189629 0.647469 0.194170 H\n0.647469 0.189629 0.194170 H\n0.189629 0.968732 0.194170 H\n0.968732 0.647469 0.194170 H\n0.352531 0.031268 0.805830 H\n0.031268 0.810371 0.805830 H\n0.810371 0.352531 0.805830 H\n0.352531 0.810371 0.805830 H\n0.810371 0.031268 0.805830 H\n0.031268 0.352531 0.805830 H\n0.000000 0.000000 0.000000 Ru\n0.683475 0.094300 0.127925 N\n0.094300 0.094300 0.127925 N\n0.094300 0.683475 0.127925 N\n0.316525 0.905700 0.872075 N\n0.905700 0.905700 0.872075 N\n0.905700 0.316525 0.872075 N\n0.369968 0.369968 0.890096 Cl\n0.630032 0.630032 0.109904 Cl\n0.186848 0.186848 0.439457 Cl\n0.813152 0.813152 0.560543 Cl\n0.134430 0.134430 0.596711 O\n0.865570 0.865570 0.403289 O\n0.989399 0.312418 0.385766 O\n0.312418 0.312418 0.385766 O\n0.312418 0.989399 0.385766 O\n0.010601 0.687582 0.614234 O\n0.687582 0.687582 0.614234 O\n0.687582 0.010601 0.614234 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
"Rb",
"H",
"Ru",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Rb-Ru",
"density": 2.1108262611805553,
"density_atomic": 0.08648522996958778,
"volume": 439.3813835421674,
"volume_molar": 6.963201418459156,
"formula_full": "Rb1 H18 Ru1 N6 Cl4 O8",
"formula_reduced": "RbH18RuN6(ClO2)4",
"formula_anonymous": "ABC4D6E8F18",
"energy": -195.06478421,
"energy_per_atom": -5.133283795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.94678421,
"band_gap": 0.2003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.151000Z",
"spacegroup": 166
},
{
"id": "mp-26501",
"created_at": "2022-09-04T14:43:20.144023Z",
"structure_string": "Li6 Mo2 P4 O16\n1.0\n9.107471 0.000000 0.000000\n0.000000 4.992318 0.000000\n0.000000 4.545615 6.498001\nLi Mo P O\n6 2 4 16\ndirect\n0.000000 0.000000 0.500000 Li\n0.144128 0.323075 0.691904 Li\n0.855872 0.676925 0.308096 Li\n0.644128 0.676925 0.808096 Li\n0.355872 0.323075 0.191904 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.817289 0.198418 0.776208 P\n0.317289 0.801582 0.723792 P\n0.682711 0.198418 0.276208 P\n0.182711 0.801582 0.223792 P\n0.646894 0.167040 0.756437 O\n0.847996 0.488937 0.795053 O\n0.134476 0.128188 0.021185 O\n0.634476 0.871812 0.478815 O\n0.865524 0.871812 0.978815 O\n0.152004 0.511063 0.204947 O\n0.652004 0.488937 0.295053 O\n0.601514 0.254885 0.090099 O\n0.101514 0.745115 0.409901 O\n0.898486 0.254885 0.590099 O\n0.365524 0.128188 0.521185 O\n0.146894 0.832960 0.743563 O\n0.347996 0.511063 0.704947 O\n0.398486 0.745115 0.909901 O\n0.353106 0.832960 0.243563 O\n0.853106 0.167040 0.256437 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 3.4476340578472517,
"density_atomic": 0.09477160142437221,
"volume": 295.4471548351329,
"volume_molar": 6.354372691281018,
"formula_full": "Li6 Mo2 P4 O16",
"formula_reduced": "Li3Mo(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -206.51634269,
"energy_per_atom": -7.3755836675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.12034269,
"band_gap": 1.3146000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0007066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.421000Z",
"spacegroup": 14
},
{
"id": "mp-1348186",
"created_at": "2022-09-04T14:43:20.145117Z",
"structure_string": "Na4 Co2 P4 O14\n1.0\n5.300543 0.000000 0.000000\n-1.711667 6.289215 0.000000\n-0.958650 -3.556837 8.724790\nNa Co P O\n4 2 4 14\ndirect\n0.625298 0.410274 0.725224 Na\n0.374702 0.589726 0.274776 Na\n0.905923 0.261865 0.964273 Na\n0.094077 0.738135 0.035727 Na\n0.273697 0.766730 0.633443 Co\n0.726303 0.233270 0.366557 Co\n0.135579 0.228870 0.607795 P\n0.864421 0.771130 0.392205 P\n0.707982 0.804510 0.860871 P\n0.292018 0.195490 0.139129 P\n0.358476 0.114241 0.576466 O\n0.641524 0.885759 0.423534 O\n0.018738 0.274371 0.481168 O\n0.981262 0.725629 0.518832 O\n0.242395 0.433411 0.658593 O\n0.757605 0.566589 0.341407 O\n0.880259 0.069071 0.763931 O\n0.119741 0.930929 0.236069 O\n0.911632 0.673908 0.828368 O\n0.088368 0.326092 0.171632 O\n0.631627 0.811287 0.025714 O\n0.368373 0.188713 0.974286 O\n0.460584 0.732964 0.808011 O\n0.539416 0.267036 0.191989 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.184105068275079,
"density_atomic": 0.08251624479034016,
"volume": 290.85182028072103,
"volume_molar": 7.298127508469687,
"formula_full": "Na4 Co2 P4 O14",
"formula_reduced": "Na2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -117.0503341,
"energy_per_atom": -4.877097254166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.15633409999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0205716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.740000Z",
"spacegroup": 2
},
{
"id": "mp-1207111",
"created_at": "2022-09-04T14:43:20.147585Z",
"structure_string": "Mg2 Al3 Si6\n1.0\n1.922972 7.462729 0.000000\n-1.922972 7.462729 0.000000\n0.000000 1.552896 6.341334\nMg Al Si\n2 3 6\ndirect\n0.172598 0.172598 0.072646 Mg\n0.827402 0.827402 0.927354 Mg\n0.910736 0.910736 0.446715 Al\n0.089264 0.089264 0.553285 Al\n0.000000 0.000000 0.000000 Al\n0.705230 0.705230 0.352477 Si\n0.294770 0.294770 0.647523 Si\n0.534447 0.534447 0.287049 Si\n0.465553 0.465553 0.712951 Si\n0.335770 0.335770 0.254255 Si\n0.664230 0.664230 0.745745 Si\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.7194597522650916,
"density_atomic": 0.06043818721835836,
"volume": 182.0041352375093,
"volume_molar": 9.96413201183961,
"formula_full": "Mg2 Al3 Si6",
"formula_reduced": "Mg2(AlSi2)3",
"formula_anonymous": "A2B3C6",
"energy": -44.20960814,
"energy_per_atom": -4.019055285454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.63560814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.929000Z",
"spacegroup": 12
},
{
"id": "mp-1207129",
"created_at": "2022-09-04T14:43:20.148426Z",
"structure_string": "Nd2 Ni2 Sn1\n1.0\n-2.172555 2.916430 4.246927\n2.172555 -2.916430 4.246927\n2.172555 2.916430 -4.246927\nNd Ni Sn\n2 2 1\ndirect\n0.295808 0.795808 0.500000 Nd\n0.704192 0.204192 0.500000 Nd\n0.707981 0.500000 0.207981 Ni\n0.292019 0.500000 0.792019 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Sn"
],
"chemical_system": "Nd-Ni-Sn",
"density": 8.092903547871211,
"density_atomic": 0.04645290519518267,
"volume": 107.63589443956924,
"volume_molar": 12.963970142871746,
"formula_full": "Nd2 Ni2 Sn1",
"formula_reduced": "Nd2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy": -27.70654845,
"energy_per_atom": -5.54130969,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.70654845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.23e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.025000Z",
"spacegroup": 71
},
{
"id": "mp-672",
"created_at": "2022-09-04T14:43:20.149101Z",
"structure_string": "Cd2 S2\n1.0\n2.103268 -3.642966 0.000000\n2.103268 3.642966 0.000000\n0.000000 0.000000 6.842929\nCd S\n2 2\ndirect\n0.666667 0.333333 0.500157 Cd\n0.333333 0.666667 0.000157 Cd\n0.666667 0.333333 0.876843 S\n0.333333 0.666667 0.376843 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 4.575652563556364,
"density_atomic": 0.03814505359521826,
"volume": 104.86287534018373,
"volume_molar": 15.787474894922985,
"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy": -13.65402758,
"energy_per_atom": -3.413506895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.64802758,
"band_gap": 1.125,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.027000Z",
"spacegroup": 186
},
{
"id": "mp-1184268",
"created_at": "2022-09-04T14:43:20.153175Z",
"structure_string": "Ga3 Hg1\n1.0\n-2.121366 2.121366 4.644067\n2.121366 -2.121366 4.644067\n2.121366 2.121366 -4.644067\nGa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 8.139316243171658,
"density_atomic": 0.04784871900163074,
"volume": 83.59680433375186,
"volume_molar": 12.585793069600792,
"formula_full": "Ga3 Hg1",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy": -9.08795308,
"energy_per_atom": -2.27198827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08795308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.486000Z",
"spacegroup": 139
}
]
}