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=12192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12190",
"results": [
{
"id": "mp-849637",
"created_at": "2022-09-04T14:44:15.900677Z",
"structure_string": "Na4 Co2 O6\n1.0\n5.420854 0.000000 0.000000\n-0.650956 5.952771 0.000000\n-0.631787 -2.534784 6.067295\nNa Co O\n4 2 6\ndirect\n0.938875 0.753135 0.572400 Na\n0.783704 0.777444 0.016267 Na\n0.216296 0.222556 0.983733 Na\n0.061125 0.246865 0.427600 Na\n0.650114 0.165610 0.667406 Co\n0.349886 0.834390 0.332594 Co\n0.786484 0.076027 0.865780 O\n0.789472 0.449484 0.686884 O\n0.693764 0.928030 0.379458 O\n0.306236 0.071970 0.620542 O\n0.210528 0.550516 0.313116 O\n0.213516 0.923973 0.134220 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.5937949186810627,
"density_atomic": 0.0612913586148723,
"volume": 195.78616417042858,
"volume_molar": 9.825431995789915,
"formula_full": "Na4 Co2 O6",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy": -66.05593411,
"energy_per_atom": -5.504661175833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.65793411,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9990592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.417000Z",
"spacegroup": 2
},
{
"id": "mp-722280",
"created_at": "2022-09-04T14:44:15.793299Z",
"structure_string": "Li4 Cu4 H16 Cl12 O8\n1.0\n11.229826 0.000000 0.000000\n0.000000 6.190888 0.000000\n0.000000 2.817367 8.877265\nLi Cu H Cl O\n4 4 16 12 8\ndirect\n0.516567 0.560012 0.836986 Li\n0.016567 0.439988 0.663014 Li\n0.483433 0.439988 0.163014 Li\n0.983433 0.560012 0.336986 Li\n0.509129 0.168420 0.615999 Cu\n0.009129 0.831580 0.884001 Cu\n0.490871 0.831580 0.384001 Cu\n0.990871 0.168420 0.115999 Cu\n0.647294 0.887033 0.884597 H\n0.147294 0.112967 0.615403 H\n0.352706 0.112967 0.115403 H\n0.852706 0.887033 0.384597 H\n0.700825 0.796176 0.760428 H\n0.200825 0.203824 0.739572 H\n0.299175 0.203824 0.239572 H\n0.799175 0.796176 0.260428 H\n0.811315 0.390879 0.550752 H\n0.311315 0.609121 0.949248 H\n0.188685 0.609121 0.449248 H\n0.688685 0.390879 0.050752 H\n0.893302 0.193832 0.536797 H\n0.393302 0.806168 0.963203 H\n0.106698 0.806168 0.463203 H\n0.606698 0.193832 0.036797 H\n0.631670 0.455929 0.621831 Cl\n0.131670 0.544071 0.878169 Cl\n0.368330 0.544071 0.378169 Cl\n0.868330 0.455929 0.121831 Cl\n0.898624 0.795190 0.681946 Cl\n0.398624 0.204810 0.818054 Cl\n0.101376 0.204810 0.318054 Cl\n0.601376 0.795190 0.181946 Cl\n0.884710 0.108919 0.916092 Cl\n0.384710 0.891081 0.583908 Cl\n0.115290 0.891081 0.083908 Cl\n0.615290 0.108919 0.416092 Cl\n0.625257 0.830039 0.801847 O\n0.125257 0.169961 0.698153 O\n0.374743 0.169961 0.198153 O\n0.874743 0.830039 0.301847 O\n0.893297 0.358223 0.523671 O\n0.393297 0.641777 0.976329 O\n0.106703 0.641777 0.476329 O\n0.606703 0.358223 0.023671 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-Li-O",
"density": 2.2910352618164564,
"density_atomic": 0.07129310301380805,
"volume": 617.1704995289388,
"volume_molar": 8.447017320642688,
"formula_full": "Li4 Cu4 H16 Cl12 O8",
"formula_reduced": "LiCuH4Cl3O2",
"formula_anonymous": "ABC2D3E4",
"energy": -198.40421216,
"energy_per_atom": -4.509186639999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.54021216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.997794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.076000Z",
"spacegroup": 14
},
{
"id": "mp-756394",
"created_at": "2022-09-04T14:44:15.801898Z",
"structure_string": "Li4 V4 S10\n1.0\n3.115697 5.009633 0.000000\n-3.115697 5.009633 0.000000\n0.000000 4.863746 10.536359\nLi V S\n4 4 10\ndirect\n0.817523 0.565394 0.180363 Li\n0.565394 0.817523 0.680363 Li\n0.434606 0.182477 0.319637 Li\n0.182477 0.434606 0.819637 Li\n0.240034 0.942037 0.052542 V\n0.057963 0.759966 0.447458 V\n0.942037 0.240034 0.552542 V\n0.759966 0.057963 0.947458 V\n0.705810 0.700982 0.467372 S\n0.700982 0.705810 0.967372 S\n0.977069 0.192254 0.357894 S\n0.337892 0.662108 0.250000 S\n0.807746 0.022931 0.142106 S\n0.192254 0.977069 0.857894 S\n0.662108 0.337892 0.750000 S\n0.022931 0.807746 0.642106 S\n0.299018 0.294190 0.032628 S\n0.294190 0.299018 0.532628 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 2.7877131728420275,
"density_atomic": 0.05472563663314943,
"volume": 328.9134874878131,
"volume_molar": 11.004240663967272,
"formula_full": "Li4 V4 S10",
"formula_reduced": "Li2V2S5",
"formula_anonymous": "A2B2C5",
"energy": -107.26658783,
"energy_per_atom": -5.959254879444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.23658783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.394000Z",
"spacegroup": 15
},
{
"id": "mp-562663",
"created_at": "2022-09-04T14:44:15.805291Z",
"structure_string": "Rb4 Co4 C16 O16\n1.0\n2.953851 11.271855 0.000000\n-2.953851 11.271855 0.000000\n0.000000 8.489912 11.808290\nRb Co C O\n4 4 16 16\ndirect\n0.871557 0.781530 0.061109 Rb\n0.781530 0.871557 0.561109 Rb\n0.128443 0.218470 0.938891 Rb\n0.218470 0.128443 0.438891 Rb\n0.831693 0.413288 0.738739 Co\n0.413288 0.831693 0.238739 Co\n0.168307 0.586712 0.261261 Co\n0.586712 0.168307 0.761261 Co\n0.105981 0.265691 0.659064 C\n0.265691 0.105981 0.159064 C\n0.894019 0.734309 0.340936 C\n0.734309 0.894019 0.840936 C\n0.662302 0.631286 0.801163 C\n0.631286 0.662302 0.301163 C\n0.337698 0.368714 0.198837 C\n0.368714 0.337698 0.698837 C\n0.882181 0.197286 0.841116 C\n0.197286 0.882181 0.341116 C\n0.117819 0.802714 0.158884 C\n0.802714 0.117819 0.658884 C\n0.650012 0.562233 0.656496 C\n0.562233 0.650012 0.156496 C\n0.349988 0.437767 0.343504 C\n0.437767 0.349988 0.843504 C\n0.293964 0.159846 0.602633 O\n0.159846 0.293964 0.102633 O\n0.706036 0.840154 0.397367 O\n0.840154 0.706036 0.897367 O\n0.541781 0.786153 0.840297 O\n0.786153 0.541781 0.340297 O\n0.458219 0.213847 0.159703 O\n0.213847 0.458219 0.659703 O\n0.912953 0.054530 0.908257 O\n0.054530 0.912953 0.408257 O\n0.087047 0.945470 0.091743 O\n0.945470 0.087047 0.591743 O\n0.520742 0.666998 0.604305 O\n0.666998 0.520742 0.104305 O\n0.479258 0.333002 0.395695 O\n0.333002 0.479258 0.895695 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Rb",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-O-Rb",
"density": 2.1661884476171056,
"density_atomic": 0.050869680180706395,
"volume": 786.3230092641904,
"volume_molar": 11.838369611539349,
"formula_full": "Rb4 Co4 C16 O16",
"formula_reduced": "RbCo(CO)4",
"formula_anonymous": "ABC4D4",
"energy": -298.36885893,
"energy_per_atom": -7.4592214732499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.82485893,
"band_gap": 3.6449,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.627000Z",
"spacegroup": 15
},
{
"id": "mp-1039332",
"created_at": "2022-09-04T14:44:15.810180Z",
"structure_string": "Ca4 Mg2\n1.0\n6.331842 -3.184412 0.000000\n6.331842 3.184412 0.000000\n4.730336 0.000000 5.277938\nCa Mg\n4 2\ndirect\n0.000000 0.671482 0.328518 Ca\n0.671482 0.328518 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.328518 0.000000 0.671482 Ca\n0.833417 0.833417 0.833417 Mg\n0.166583 0.166583 0.166583 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.629970224953825,
"density_atomic": 0.028190167046092705,
"volume": 212.8401719007064,
"volume_molar": 21.362557909477513,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.04040418,
"energy_per_atom": -1.8400673633333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.04040418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.728000Z",
"spacegroup": 155
},
{
"id": "mp-1187278",
"created_at": "2022-09-04T14:44:15.818441Z",
"structure_string": "Tb3 Dy1\n1.0\n-2.520307 2.520307 5.039797\n2.520307 -2.520307 5.039797\n2.520307 2.520307 -5.039797\nTb Dy\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Dy"
],
"chemical_system": "Dy-Tb",
"density": 8.290058693633839,
"density_atomic": 0.031237773027146767,
"volume": 128.05010128359194,
"volume_molar": 19.27839335655118,
"formula_full": "Tb3 Dy1",
"formula_reduced": "Tb3Dy",
"formula_anonymous": "AB3",
"energy": -18.4278614,
"energy_per_atom": -4.60696535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.4278614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.655000Z",
"spacegroup": 139
},
{
"id": "mp-554141",
"created_at": "2022-09-04T14:44:15.821205Z",
"structure_string": "Ca9 Si3 O15\n1.0\n8.901878 -3.579707 0.000000\n8.901878 3.579707 0.000000\n7.462372 0.000000 6.030815\nCa Si O\n9 3 15\ndirect\n0.986592 0.503589 0.503589 Ca\n0.283569 0.283569 0.760207 Ca\n0.712852 0.259599 0.712852 Ca\n0.712852 0.712852 0.259599 Ca\n0.259599 0.712852 0.712852 Ca\n0.283569 0.760207 0.283569 Ca\n0.503589 0.986592 0.503589 Ca\n0.760207 0.283569 0.283569 Ca\n0.503589 0.503589 0.986592 Ca\n0.220776 0.220776 0.220776 Si\n0.786172 0.786172 0.786172 Si\n0.001393 0.001393 0.001393 Si\n0.850784 0.850784 0.850784 O\n0.231019 0.854766 0.854766 O\n0.371245 0.371245 0.371245 O\n0.639066 0.012944 0.639066 O\n0.499734 0.499734 0.499734 O\n0.618489 0.618489 0.618489 O\n0.854766 0.854766 0.231019 O\n0.366566 0.366566 0.990053 O\n0.064069 0.064069 0.064069 O\n0.366566 0.990053 0.366566 O\n0.990053 0.366566 0.366566 O\n0.639066 0.639066 0.012944 O\n0.012944 0.639066 0.639066 O\n0.157920 0.157920 0.157920 O\n0.854766 0.231019 0.854766 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 2.959187811183169,
"density_atomic": 0.07024713932782696,
"volume": 384.35728854377,
"volume_molar": 8.572791458305622,
"formula_full": "Ca9 Si3 O15",
"formula_reduced": "Ca3SiO5",
"formula_anonymous": "AB3C5",
"energy": -199.73607929,
"energy_per_atom": -7.397632566296296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.43107929,
"band_gap": 3.0522,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.515000Z",
"spacegroup": 160
},
{
"id": "mp-1225361",
"created_at": "2022-09-04T14:44:15.823094Z",
"structure_string": "Dy2 B6 Rh9\n1.0\n2.808489 -4.864445 0.000000\n2.808489 4.864445 0.000000\n0.000000 0.000000 8.576390\nDy B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.706778 Dy\n0.000000 0.000000 0.293222 Dy\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.667033 B\n0.333333 0.666667 0.667033 B\n0.333333 0.666667 0.332967 B\n0.666667 0.333333 0.332967 B\n0.500000 0.500000 0.835688 Rh\n0.500000 0.000000 0.835688 Rh\n0.000000 0.500000 0.835688 Rh\n0.500000 0.500000 0.164312 Rh\n0.500000 0.000000 0.164312 Rh\n0.000000 0.500000 0.164312 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": [
"Dy",
"B",
"Rh"
],
"chemical_system": "B-Dy-Rh",
"density": 9.325444888660009,
"density_atomic": 0.07254514938503297,
"volume": 234.33682533028633,
"volume_molar": 8.301231455238339,
"formula_full": "Dy2 B6 Rh9",
"formula_reduced": "Dy2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy": -126.37626516,
"energy_per_atom": -7.433897950588236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.37626516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.192000Z",
"spacegroup": 191
},
{
"id": "mp-1097393",
"created_at": "2022-09-04T14:44:15.831169Z",
"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Rh"
],
"chemical_system": "Cd-Mg-Rh",
"density": 0.3290345181343499,
"density_atomic": 0.0030030969740266152,
"volume": 1331.9583198929192,
"volume_molar": 200.5310122212067,
"formula_full": "Mg2 Cd1 Rh1",
"formula_reduced": "Mg2CdRh",
"formula_anonymous": "ABC2",
"energy": -5.11162325,
"energy_per_atom": -1.2779058125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.11162325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0031721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
},
{
"id": "mp-755544",
"created_at": "2022-09-04T14:44:15.831846Z",
"structure_string": "Y1 Tl1 O2\n1.0\n6.579169 -1.756231 0.000000\n6.579169 1.756231 0.000000\n6.110364 0.000000 3.005539\nY Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.224317 0.224317 0.224317 O\n0.775683 0.775683 0.775683 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"O"
],
"chemical_system": "O-Tl-Y",
"density": 7.776998737255215,
"density_atomic": 0.05759104338451892,
"volume": 69.45524451246949,
"volume_molar": 10.456731474357722,
"formula_full": "Y1 Tl1 O2",
"formula_reduced": "YTlO2",
"formula_anonymous": "ABC2",
"energy": -29.49511451,
"energy_per_atom": -7.3737786275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.12111451,
"band_gap": 1.4729,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.331000Z",
"spacegroup": 166
},
{
"id": "mp-1226035",
"created_at": "2022-09-04T14:44:15.841071Z",
"structure_string": "Co2 Sb2 Se2\n1.0\n0.000000 0.000000 3.575943\n5.260236 -0.229325 0.000000\n-0.278232 6.068060 0.000000\nCo Sb Se\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.719575 0.148035 Sb\n0.500000 0.280425 0.851965 Sb\n0.000000 0.229883 0.359024 Se\n0.000000 0.770117 0.640976 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Sb",
"Se"
],
"chemical_system": "Co-Sb-Se",
"density": 7.570003592443337,
"density_atomic": 0.05267136482162705,
"volume": 113.91388889046556,
"volume_molar": 11.433424556956396,
"formula_full": "Co2 Sb2 Se2",
"formula_reduced": "CoSbSe",
"formula_anonymous": "ABC",
"energy": -32.13850864,
"energy_per_atom": -5.356418106666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81050864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.214000Z",
"spacegroup": 10
},
{
"id": "mp-1025433",
"created_at": "2022-09-04T14:44:15.844942Z",
"structure_string": "Ho2 Ga4 Ni2\n1.0\n2.057741 -5.056328 0.000000\n2.057741 5.056328 0.000000\n0.000000 0.000000 6.642663\nHo Ga Ni\n2 4 2\ndirect\n0.571967 0.428033 0.250000 Ho\n0.428033 0.571967 0.750000 Ho\n0.855780 0.144220 0.445725 Ga\n0.144220 0.855780 0.554275 Ga\n0.855780 0.144220 0.054275 Ga\n0.144220 0.855780 0.945725 Ga\n0.290610 0.709390 0.250000 Ni\n0.709390 0.290610 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ho-Ni",
"density": 8.723102150770826,
"density_atomic": 0.05787510898342557,
"volume": 138.2286813885925,
"volume_molar": 10.405407204891201,
"formula_full": "Ho2 Ga4 Ni2",
"formula_reduced": "HoGa2Ni",
"formula_anonymous": "ABC2",
"energy": -38.06988866,
"energy_per_atom": -4.7587360825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.06988866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.515000Z",
"spacegroup": 63
}
]
}