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=energy_above_hull&page=120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=118",
"results": [
{
"id": "mp-4452",
"created_at": "2022-09-04T14:44:28.430613Z",
"structure_string": "Cd1 Ga2 S4\n1.0\n-2.822895 2.822895 5.184410\n2.822895 -2.822895 5.184410\n2.822895 2.822895 -5.184410\nCd Ga S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.868521 0.407943 0.005827 S\n0.592057 0.597884 0.460579 S\n0.137305 0.131479 0.539421 S\n0.402116 0.862695 0.994173 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"Ga",
"S"
],
"chemical_system": "Cd-Ga-S",
"density": 3.819597588998236,
"density_atomic": 0.04235934734520461,
"volume": 165.25278217707128,
"volume_molar": 14.21679307502775,
"formula_full": "Cd1 Ga2 S4",
"formula_reduced": "Cd(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -30.33082459,
"energy_per_atom": -4.332974941428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.318824589999995,
"band_gap": 2.1205,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.126000Z",
"spacegroup": 82
},
{
"id": "mp-1105064",
"created_at": "2022-09-04T14:44:28.453613Z",
"structure_string": "Mg1 Si6 Ni6\n1.0\n-2.447247 -4.238756 0.000000\n-2.461579 4.247031 0.000000\n0.000000 0.000000 -7.612627\nMg Si Ni\n1 6 6\ndirect\n0.999981 0.000000 0.000000 Mg\n0.999993 0.000000 0.346298 Si\n0.999993 0.000000 0.653702 Si\n0.332985 0.666013 0.000000 Si\n0.666972 0.333987 0.000000 Si\n0.333007 0.666080 0.500000 Si\n0.666927 0.333920 0.500000 Si\n0.499993 0.000000 0.250120 Ni\n0.499990 0.500003 0.250136 Ni\n0.999988 0.499997 0.250136 Ni\n0.499993 0.000000 0.749880 Ni\n0.499990 0.500003 0.749864 Ni\n0.999988 0.499997 0.749864 Ni\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ni"
],
"chemical_system": "Mg-Ni-Si",
"density": 5.707623317831832,
"density_atomic": 0.08199177132157112,
"volume": 158.5524960671248,
"volume_molar": 7.344811147427476,
"formula_full": "Mg1 Si6 Ni6",
"formula_reduced": "Mg(SiNi)6",
"formula_anonymous": "AB6C6",
"energy": -73.91245688,
"energy_per_atom": -5.685573606153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.33845688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005495,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.803000Z",
"spacegroup": 191
},
{
"id": "mp-1203930",
"created_at": "2022-09-04T14:44:28.616317Z",
"structure_string": "Sm8 N24 O72\n1.0\n8.339112 6.592081 0.000000\n-8.339112 6.592081 0.000000\n0.000000 3.327211 12.401980\nSm N O\n8 24 72\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.721060 0.278940 0.250000 Sm\n0.278940 0.721060 0.750000 Sm\n0.763375 0.779701 0.255328 Sm\n0.220299 0.236625 0.244672 Sm\n0.236625 0.220299 0.744672 Sm\n0.779701 0.763375 0.755328 Sm\n0.640037 0.491863 0.358428 N\n0.508137 0.359963 0.141572 N\n0.359963 0.508137 0.641572 N\n0.491863 0.640037 0.858428 N\n0.744330 0.178529 0.042961 N\n0.821471 0.255670 0.457039 N\n0.255670 0.821471 0.957039 N\n0.178529 0.744330 0.542961 N\n0.756077 0.541954 0.630412 N\n0.458046 0.243923 0.869588 N\n0.243923 0.458046 0.369588 N\n0.541954 0.756077 0.130412 N\n0.001849 0.680727 0.293511 N\n0.319273 0.998151 0.206489 N\n0.998151 0.319273 0.706489 N\n0.680727 0.001849 0.793511 N\n0.830959 0.863719 0.521969 N\n0.136281 0.169041 0.978031 N\n0.169041 0.136281 0.478031 N\n0.863719 0.830959 0.021969 N\n0.615884 0.974259 0.322440 N\n0.025741 0.384116 0.177560 N\n0.384116 0.025741 0.677560 N\n0.974259 0.615884 0.822440 N\n0.726223 0.523476 0.267874 O\n0.476524 0.273777 0.232126 O\n0.273777 0.476524 0.732126 O\n0.523476 0.726223 0.767874 O\n0.587653 0.371768 0.397131 O\n0.628232 0.412347 0.102869 O\n0.412347 0.628232 0.602869 O\n0.371768 0.587653 0.897131 O\n0.615634 0.583959 0.400850 O\n0.416041 0.384366 0.099150 O\n0.384366 0.416041 0.599150 O\n0.583959 0.615634 0.900850 O\n0.630775 0.147617 0.109921 O\n0.852383 0.369225 0.390079 O\n0.369225 0.852383 0.890079 O\n0.147617 0.630775 0.609921 O\n0.750891 0.129461 0.961490 O\n0.870539 0.249109 0.538510 O\n0.249109 0.870539 0.038510 O\n0.129461 0.750891 0.461490 O\n0.839426 0.255502 0.065758 O\n0.744498 0.160574 0.434242 O\n0.160574 0.744498 0.934242 O\n0.255502 0.839426 0.565758 O\n0.744795 0.457625 0.572861 O\n0.542375 0.255205 0.927139 O\n0.255205 0.542375 0.427139 O\n0.457625 0.744795 0.072861 O\n0.871826 0.623141 0.619406 O\n0.376859 0.128174 0.880594 O\n0.128174 0.376859 0.380594 O\n0.623141 0.871826 0.119406 O\n0.663667 0.553491 0.698402 O\n0.446509 0.336333 0.801598 O\n0.336333 0.446509 0.301598 O\n0.553491 0.663667 0.198402 O\n0.089974 0.621464 0.298722 O\n0.378536 0.910026 0.201278 O\n0.910026 0.378536 0.701278 O\n0.621464 0.089974 0.798722 O\n0.000527 0.763358 0.212415 O\n0.236642 0.999473 0.287585 O\n0.999473 0.236642 0.787585 O\n0.763358 0.000527 0.712415 O\n0.905436 0.654773 0.376055 O\n0.345227 0.094564 0.123945 O\n0.094564 0.345227 0.623945 O\n0.654773 0.905436 0.876055 O\n0.714268 0.806697 0.577336 O\n0.193303 0.285732 0.922664 O\n0.285732 0.193303 0.422664 O\n0.806697 0.714268 0.077336 O\n0.853705 0.888804 0.421334 O\n0.111196 0.146295 0.078666 O\n0.146295 0.111196 0.578666 O\n0.888804 0.853705 0.921334 O\n0.921864 0.890690 0.574987 O\n0.109310 0.078136 0.925013 O\n0.078136 0.109310 0.425013 O\n0.890690 0.921864 0.074987 O\n0.572553 0.850950 0.353452 O\n0.149050 0.427447 0.146548 O\n0.427447 0.149050 0.646548 O\n0.850950 0.572553 0.853452 O\n0.548461 0.053302 0.341198 O\n0.946698 0.451539 0.158802 O\n0.451539 0.946698 0.658802 O\n0.053302 0.548461 0.841198 O\n0.735770 0.021186 0.266916 O\n0.978814 0.264230 0.233084 O\n0.264230 0.978814 0.733084 O\n0.021186 0.735770 0.766916 O\n",
"nsites": 104,
"nelements": 3,
"elements": [
"Sm",
"N",
"O"
],
"chemical_system": "N-O-Sm",
"density": 3.277170552095187,
"density_atomic": 0.0762728501159083,
"volume": 1363.5258134704031,
"volume_molar": 7.895523440973338,
"formula_full": "Sm8 N24 O72",
"formula_reduced": "Sm(NO3)3",
"formula_anonymous": "AB3C9",
"energy": -743.87579959,
"energy_per_atom": -7.152651919134616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -694.41179959,
"band_gap": 3.1535,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003226,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.155000Z",
"spacegroup": 15
},
{
"id": "mp-1180388",
"created_at": "2022-09-04T14:44:28.989806Z",
"structure_string": "Na4 Ti4 Si4 O22\n1.0\n5.404955 0.000000 0.000000\n-0.033816 7.094288 0.000000\n-1.593167 -0.771354 12.225714\nNa Ti Si O\n4 4 4 22\ndirect\n0.816079 0.330896 0.206981 Na\n0.180659 0.668164 0.798376 Na\n0.744393 0.114408 0.490813 Na\n0.251447 0.887035 0.515508 Na\n0.830958 0.824744 0.264266 Ti\n0.777839 0.612638 0.506774 Ti\n0.171430 0.175126 0.741955 Ti\n0.220240 0.386905 0.498837 Ti\n0.321535 0.122865 0.280521 Si\n0.345298 0.553134 0.269309 Si\n0.676425 0.876390 0.724404 Si\n0.655931 0.446268 0.736595 Si\n0.322224 0.328164 0.223362 O\n0.404557 0.563112 0.406798 O\n0.340721 0.167221 0.414573 O\n0.386553 0.805938 0.000299 O\n0.592374 0.435737 0.599175 O\n0.911669 0.399248 0.419631 O\n0.136750 0.194730 0.596369 O\n0.079570 0.645119 0.227856 O\n0.052436 0.026036 0.234986 O\n0.612193 0.838547 0.020104 O\n0.866151 0.805052 0.409874 O\n0.653215 0.832163 0.590270 O\n0.084996 0.600287 0.586453 O\n0.924684 0.357319 0.776244 O\n0.585273 0.630841 0.217793 O\n0.945838 0.974372 0.767579 O\n0.420777 0.366125 0.790699 O\n0.570198 0.013792 0.253016 O\n0.429118 0.984109 0.754722 O\n0.679663 0.671412 0.781944 O\n0.091160 0.161526 0.985458 O\n0.877242 0.201277 0.001855 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Na",
"Ti",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Ti",
"density": 2.6487062906214116,
"density_atomic": 0.07252768031097015,
"volume": 468.7865357642955,
"volume_molar": 8.30323089636871,
"formula_full": "Na4 Ti4 Si4 O22",
"formula_reduced": "Na2Ti2Si2O11",
"formula_anonymous": "A2B2C2D11",
"energy": -252.4034988,
"energy_per_atom": -7.423632317647058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.8614988,
"band_gap": 0.3409000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9931389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.432000Z",
"spacegroup": 1
},
{
"id": "mp-1196939",
"created_at": "2022-09-04T14:44:27.312057Z",
"structure_string": "Li8 Ca12 N24\n1.0\n4.868863 0.000000 0.000000\n0.000000 8.064158 0.000000\n0.000000 0.000000 14.213574\nLi Ca N\n8 12 24\ndirect\n0.500000 0.000000 0.661024 Li\n0.000000 0.000000 0.661024 Li\n0.500000 0.000000 0.338976 Li\n0.000000 0.000000 0.338976 Li\n0.500000 0.500000 0.162808 Li\n0.000000 0.500000 0.162808 Li\n0.500000 0.500000 0.837192 Li\n0.000000 0.500000 0.837192 Li\n0.250000 0.682228 0.000000 Ca\n0.750000 0.317772 0.000000 Ca\n0.250000 0.181904 0.500000 Ca\n0.750000 0.818096 0.500000 Ca\n0.250000 0.158856 0.838283 Ca\n0.750000 0.841144 0.838283 Ca\n0.750000 0.841144 0.161717 Ca\n0.250000 0.158856 0.161717 Ca\n0.250000 0.660666 0.336551 Ca\n0.750000 0.339334 0.336551 Ca\n0.750000 0.339334 0.663449 Ca\n0.250000 0.660666 0.663449 Ca\n0.250000 0.711927 0.827191 N\n0.750000 0.288073 0.827191 N\n0.750000 0.288073 0.172809 N\n0.250000 0.711927 0.172809 N\n0.250000 0.866482 0.199963 N\n0.750000 0.133518 0.199963 N\n0.750000 0.133518 0.800037 N\n0.250000 0.866482 0.800037 N\n0.250000 0.215515 0.325534 N\n0.750000 0.784485 0.325534 N\n0.750000 0.784485 0.674466 N\n0.250000 0.215515 0.674466 N\n0.250000 0.368054 0.706103 N\n0.750000 0.631946 0.706103 N\n0.750000 0.631946 0.293897 N\n0.250000 0.368054 0.293897 N\n0.250000 0.387694 0.953868 N\n0.750000 0.612306 0.953868 N\n0.750000 0.612306 0.046132 N\n0.250000 0.387694 0.046132 N\n0.250000 0.888656 0.453670 N\n0.750000 0.111344 0.453670 N\n0.750000 0.111344 0.546330 N\n0.250000 0.888656 0.546330 N\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Li",
"Ca",
"N"
],
"chemical_system": "Ca-Li-N",
"density": 2.596490698983563,
"density_atomic": 0.07884293787838606,
"volume": 558.0715430451016,
"volume_molar": 7.638148605381821,
"formula_full": "Li8 Ca12 N24",
"formula_reduced": "Li2Ca3N6",
"formula_anonymous": "A2B3C6",
"energy": -268.26886959,
"energy_per_atom": -6.097019763409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.60486959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3161778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.026000Z",
"spacegroup": 51
},
{
"id": "mp-1035281",
"created_at": "2022-09-04T14:44:27.319800Z",
"structure_string": "Mg14 Co1 Ni1 O16\n1.0\n8.522195 0.000000 0.000000\n0.000000 8.517434 0.000000\n0.000000 0.000000 4.236188\nMg Co Ni O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.251288 0.500000 Mg\n0.000000 0.748712 0.500000 Mg\n0.500000 0.250226 0.500000 Mg\n0.500000 0.749774 0.500000 Mg\n0.250358 0.000000 0.500000 Mg\n0.249038 0.500000 0.500000 Mg\n0.749642 0.000000 0.500000 Mg\n0.750962 0.500000 0.500000 Mg\n0.248678 0.249769 0.000000 Mg\n0.248678 0.750231 0.000000 Mg\n0.751322 0.249769 0.000000 Mg\n0.751322 0.750231 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Ni\n0.252895 0.000000 0.000000 O\n0.250719 0.500000 0.000000 O\n0.747105 0.000000 0.000000 O\n0.749281 0.500000 0.000000 O\n0.248788 0.249603 0.500000 O\n0.248788 0.750397 0.500000 O\n0.751212 0.249603 0.500000 O\n0.751212 0.750397 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.252655 0.000000 O\n0.000000 0.747345 0.000000 O\n0.500000 0.250329 0.000000 O\n0.500000 0.749671 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Mg-Ni-O",
"density": 3.8551661320009853,
"density_atomic": 0.10406735304931113,
"volume": 307.49316728404887,
"volume_molar": 5.786772300383654,
"formula_full": "Mg14 Co1 Ni1 O16",
"formula_reduced": "Mg14CoNiO16",
"formula_anonymous": "ABC14D16",
"energy": -204.75528752,
"energy_per_atom": -6.398602735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.58428752,
"band_gap": 2.805999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0007309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.476000Z",
"spacegroup": 47
},
{
"id": "mp-865501",
"created_at": "2022-09-04T14:44:27.321236Z",
"structure_string": "V2 Tc1 Ru1\n1.0\n0.000000 3.018119 3.018119\n3.018119 0.000000 3.018119\n3.018119 3.018119 0.000000\nV Tc Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"Ru"
],
"chemical_system": "Ru-Tc-V",
"density": 9.088845072819261,
"density_atomic": 0.07274797645248933,
"volume": 54.98434726376676,
"volume_molar": 8.278086970478107,
"formula_full": "V2 Tc1 Ru1",
"formula_reduced": "V2TcRu",
"formula_anonymous": "ABC2",
"energy": -39.10191704,
"energy_per_atom": -9.77547926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.10191704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0755606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.720000Z",
"spacegroup": 225
},
{
"id": "mp-1179789",
"created_at": "2022-09-04T14:44:27.329714Z",
"structure_string": "Rb4 V6 O16\n1.0\n9.077300 0.000000 0.000000\n0.000000 9.077300 0.000000\n0.000000 0.000000 5.702521\nRb V O\n4 6 16\ndirect\n0.167286 0.667286 0.013657 Rb\n0.667286 0.832714 0.013657 Rb\n0.332714 0.167286 0.013657 Rb\n0.832714 0.332714 0.013657 Rb\n0.365680 0.865680 0.528621 V\n0.865680 0.634320 0.528621 V\n0.134320 0.365680 0.528621 V\n0.634320 0.134320 0.528621 V\n0.500000 0.500000 0.721450 V\n0.000000 0.000000 0.721450 V\n0.500000 0.500000 0.010777 O\n0.000000 0.000000 0.010777 O\n0.805488 0.083049 0.639412 O\n0.194512 0.916951 0.639412 O\n0.916951 0.805488 0.639412 O\n0.083049 0.194512 0.639412 O\n0.416951 0.694512 0.639412 O\n0.694512 0.583049 0.639412 O\n0.305488 0.416951 0.639412 O\n0.583049 0.305488 0.639412 O\n0.500000 0.000000 0.636762 O\n0.000000 0.500000 0.636762 O\n0.631996 0.131996 0.235554 O\n0.368004 0.868004 0.235554 O\n0.868004 0.631996 0.235554 O\n0.131996 0.368004 0.235554 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"V",
"O"
],
"chemical_system": "O-Rb-V",
"density": 3.1930232325282084,
"density_atomic": 0.055334128834225525,
"volume": 469.872762936106,
"volume_molar": 10.883230452659005,
"formula_full": "Rb4 V6 O16",
"formula_reduced": "Rb2V3O8",
"formula_anonymous": "A2B3C8",
"energy": -201.03206918,
"energy_per_atom": -7.732002660769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.84006918,
"band_gap": 1.9907,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0020365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.125000Z",
"spacegroup": 100
},
{
"id": "mp-1184701",
"created_at": "2022-09-04T14:44:27.332151Z",
"structure_string": "Ho5 Mg1\n1.0\n1.773204 -9.106328 0.000000\n1.773204 9.106328 0.000000\n0.000000 0.000000 5.583212\nHo Mg\n5 1\ndirect\n0.000930 0.999070 0.500000 Ho\n0.671003 0.328997 0.500000 Ho\n0.333121 0.666879 0.500000 Ho\n0.553292 0.446708 0.000000 Ho\n0.886254 0.113746 0.000000 Ho\n0.222073 0.777927 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 7.818410709791133,
"density_atomic": 0.03327630870420806,
"volume": 180.308460692975,
"volume_molar": 18.097382175200377,
"formula_full": "Ho5 Mg1",
"formula_reduced": "Ho5Mg",
"formula_anonymous": "AB5",
"energy": -24.309291270000003,
"energy_per_atom": -4.051548545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.309291270000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1002579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.898000Z",
"spacegroup": 38
},
{
"id": "mp-1018813",
"created_at": "2022-09-04T14:44:27.852151Z",
"structure_string": "Nd2 Co2 P2\n1.0\n3.886909 0.000000 0.000000\n0.000000 3.886909 0.000000\n0.000000 0.000000 7.640573\nNd Co P\n2 2 2\ndirect\n0.000000 0.500000 0.299670 Nd\n0.500000 0.000000 0.700330 Nd\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.842051 P\n0.500000 0.000000 0.157949 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Co",
"P"
],
"chemical_system": "Co-Nd-P",
"density": 6.736536156970218,
"density_atomic": 0.051977642146136496,
"volume": 115.43424734678891,
"volume_molar": 11.586021434116988,
"formula_full": "Nd2 Co2 P2",
"formula_reduced": "NdCoP",
"formula_anonymous": "ABC",
"energy": -40.21601518,
"energy_per_atom": -6.702669196666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.21601518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.900271,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.684000Z",
"spacegroup": 129
},
{
"id": "mp-1183994",
"created_at": "2022-09-04T14:44:27.873419Z",
"structure_string": "Cs1 Sr3\n1.0\n6.340366 0.000000 0.000000\n0.000000 6.340366 0.000000\n0.000000 0.000000 6.340366\nCs Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Sr"
],
"chemical_system": "Cs-Sr",
"density": 2.578362595881343,
"density_atomic": 0.01569339861631549,
"volume": 254.88424131669217,
"volume_molar": 38.3737194678732,
"formula_full": "Cs1 Sr3",
"formula_reduced": "CsSr3",
"formula_anonymous": "AB3",
"energy": -5.26893197,
"energy_per_atom": -1.3172329925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26893197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0631661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.684000Z",
"spacegroup": 221
},
{
"id": "mp-1207397",
"created_at": "2022-09-04T14:44:28.450542Z",
"structure_string": "Zn1 Os2 N4 O8\n1.0\n0.000000 5.322469 5.322469\n5.322469 0.000000 5.322469\n5.322469 5.322469 0.000000\nZn Os N O\n1 2 4 8\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Os\n0.000000 0.000000 0.000000 Os\n0.361428 0.361428 0.361428 N\n0.361428 0.361428 0.915716 N\n0.361428 0.915716 0.361428 N\n0.915716 0.361428 0.361428 N\n0.093784 0.093784 0.093784 O\n0.093784 0.093784 0.718649 O\n0.093784 0.718649 0.093784 O\n0.718649 0.093784 0.093784 O\n0.656327 0.656327 0.656327 O\n0.656327 0.656327 0.031018 O\n0.656327 0.031018 0.656327 O\n0.031018 0.656327 0.656327 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zn",
"Os",
"N",
"O"
],
"chemical_system": "N-O-Os-Zn",
"density": 3.468527028026246,
"density_atomic": 0.049741839460772465,
"volume": 301.55700236677694,
"volume_molar": 12.106791436109228,
"formula_full": "Zn1 Os2 N4 O8",
"formula_reduced": "ZnOs2(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -92.95124028,
"energy_per_atom": -6.196749351999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45524028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9966146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.920000Z",
"spacegroup": 216
}
]
}