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=decomposes_to&page=113",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=111",
"results": [
{
"id": "mp-997180",
"created_at": "2022-09-04T14:42:45.735100Z",
"structure_string": "V2 Cu2 O4\n1.0\n1.524931 -2.641257 0.000000\n1.524931 2.641257 0.000000\n0.000000 0.000000 11.588147\nV Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.590553 O\n0.666667 0.333333 0.909447 O\n0.333333 0.666667 0.090553 O\n0.333333 0.666667 0.409447 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 5.211602179724571,
"density_atomic": 0.08570085235894462,
"volume": 93.3479630575114,
"volume_molar": 7.02693216489517,
"formula_full": "V2 Cu2 O4",
"formula_reduced": "VCuO2",
"formula_anonymous": "ABC2",
"energy": -60.93396058,
"energy_per_atom": -7.6167450725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.78596058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0007359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.423000Z",
"spacegroup": 194
},
{
"id": "mp-542154",
"created_at": "2022-09-04T14:42:45.738450Z",
"structure_string": "Mo12 Pd8 N4\n1.0\n6.878227 0.000000 0.000000\n0.000000 6.878227 0.000000\n0.000000 0.000000 6.878227\nMo Pd N\n12 8 4\ndirect\n0.797350 0.047350 0.125000 Mo\n0.047350 0.125000 0.797350 Mo\n0.547350 0.375000 0.202650 Mo\n0.875000 0.297350 0.452650 Mo\n0.125000 0.797350 0.047350 Mo\n0.202650 0.547350 0.375000 Mo\n0.297350 0.452650 0.875000 Mo\n0.452650 0.875000 0.297350 Mo\n0.625000 0.702650 0.952650 Mo\n0.952650 0.625000 0.702650 Mo\n0.375000 0.202650 0.547350 Mo\n0.702650 0.952650 0.625000 Mo\n0.189308 0.189308 0.189308 Pd\n0.439308 0.060692 0.939308 Pd\n0.939308 0.439308 0.060692 Pd\n0.060692 0.939308 0.439308 Pd\n0.310692 0.810692 0.689308 Pd\n0.689308 0.310692 0.810692 Pd\n0.810692 0.689308 0.310692 Pd\n0.560692 0.560692 0.560692 Pd\n0.875000 0.875000 0.875000 N\n0.125000 0.375000 0.625000 N\n0.625000 0.125000 0.375000 N\n0.375000 0.625000 0.125000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mo",
"Pd",
"N"
],
"chemical_system": "Mo-N-Pd",
"density": 10.505231914483556,
"density_atomic": 0.07375334599342868,
"volume": 325.40896520326504,
"volume_molar": 8.16524413758335,
"formula_full": "Mo12 Pd8 N4",
"formula_reduced": "Mo3Pd2N",
"formula_anonymous": "AB2C3",
"energy": -211.50735739,
"energy_per_atom": -8.812806557916668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.06335739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013612,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.080000Z",
"spacegroup": 213
},
{
"id": "mp-680122",
"created_at": "2022-09-04T14:42:46.772722Z",
"structure_string": "Tl8 B40 O64\n1.0\n7.670209 0.000000 0.000000\n0.000000 12.060165 0.000000\n0.000000 0.000000 14.955633\nTl B O\n8 40 64\ndirect\n0.566519 0.291986 0.877559 Tl\n0.566519 0.208014 0.377559 Tl\n0.433481 0.708014 0.122441 Tl\n0.066519 0.208014 0.122441 Tl\n0.066519 0.291986 0.622441 Tl\n0.433481 0.791986 0.622441 Tl\n0.933481 0.708014 0.377559 Tl\n0.933481 0.791986 0.877559 Tl\n0.454545 0.725709 0.373550 B\n0.690801 0.429974 0.544341 B\n0.522777 0.973213 0.843576 B\n0.477223 0.473213 0.656424 B\n0.920209 0.899621 0.213259 B\n0.977223 0.026787 0.343576 B\n0.596679 0.905520 0.418382 B\n0.920209 0.600379 0.713259 B\n0.454545 0.774291 0.873550 B\n0.190801 0.070026 0.455659 B\n0.903321 0.405520 0.418382 B\n0.579791 0.100379 0.713259 B\n0.079791 0.100379 0.786741 B\n0.022777 0.526787 0.156424 B\n0.545455 0.225709 0.126450 B\n0.809199 0.929974 0.544341 B\n0.045455 0.225709 0.373550 B\n0.690801 0.070026 0.044341 B\n0.903321 0.094480 0.918382 B\n0.809199 0.570026 0.044341 B\n0.403321 0.405520 0.081618 B\n0.954545 0.725709 0.126450 B\n0.022777 0.973213 0.656424 B\n0.045455 0.274291 0.873550 B\n0.403321 0.094480 0.581618 B\n0.420209 0.899621 0.286741 B\n0.477223 0.026787 0.156424 B\n0.309199 0.929974 0.955659 B\n0.096679 0.905520 0.081618 B\n0.190801 0.429974 0.955659 B\n0.096679 0.594480 0.581618 B\n0.522777 0.526787 0.343576 B\n0.079791 0.399621 0.286741 B\n0.309199 0.570026 0.455659 B\n0.596679 0.594480 0.918382 B\n0.420209 0.600379 0.786741 B\n0.545455 0.274291 0.626450 B\n0.954545 0.774291 0.626450 B\n0.977223 0.473213 0.843576 B\n0.579791 0.399621 0.213259 B\n0.323647 0.820779 0.935380 O\n0.921388 0.205996 0.926320 O\n0.869359 0.706220 0.696353 O\n0.596694 0.509660 0.592262 O\n0.389516 0.556347 0.703069 O\n0.445950 0.364331 0.672033 O\n0.300810 0.468269 0.023573 O\n0.699190 0.968269 0.476427 O\n0.130641 0.293780 0.303647 O\n0.176353 0.320779 0.935380 O\n0.369359 0.793780 0.303647 O\n0.012441 0.537071 0.650513 O\n0.823647 0.820779 0.564620 O\n0.903306 0.490340 0.092262 O\n0.176353 0.179221 0.435380 O\n0.300810 0.031731 0.523573 O\n0.445950 0.135669 0.172033 O\n0.699190 0.531731 0.976427 O\n0.630641 0.206220 0.696353 O\n0.369359 0.706220 0.803647 O\n0.096694 0.990340 0.407738 O\n0.110484 0.056347 0.703069 O\n0.110484 0.443653 0.203069 O\n0.676353 0.320779 0.564620 O\n0.610484 0.443653 0.296931 O\n0.054050 0.864331 0.672033 O\n0.945950 0.364331 0.827967 O\n0.945950 0.135669 0.327967 O\n0.487559 0.037071 0.650513 O\n0.578612 0.705996 0.926320 O\n0.596694 0.990340 0.092262 O\n0.403306 0.009660 0.907738 O\n0.421388 0.294004 0.073680 O\n0.987559 0.037071 0.849487 O\n0.130641 0.206220 0.803647 O\n0.921388 0.294004 0.426320 O\n0.199190 0.968269 0.023573 O\n0.054050 0.635669 0.172033 O\n0.512441 0.962929 0.349487 O\n0.487559 0.462929 0.150513 O\n0.012441 0.962929 0.150513 O\n0.512441 0.537071 0.849487 O\n0.800810 0.468269 0.476427 O\n0.676353 0.179221 0.064620 O\n0.630641 0.293780 0.196353 O\n0.199190 0.531731 0.523573 O\n0.403306 0.490340 0.407738 O\n0.421388 0.205996 0.573680 O\n0.578612 0.794004 0.426320 O\n0.800810 0.031731 0.976427 O\n0.823647 0.679221 0.064620 O\n0.078612 0.705996 0.573680 O\n0.096694 0.509660 0.907738 O\n0.323647 0.679221 0.435380 O\n0.889516 0.943653 0.296931 O\n0.078612 0.794004 0.073680 O\n0.889516 0.556347 0.796931 O\n0.610484 0.056347 0.796931 O\n0.554050 0.864331 0.827967 O\n0.903306 0.009660 0.592262 O\n0.554050 0.635669 0.327967 O\n0.869359 0.793780 0.196353 O\n0.987559 0.462929 0.349487 O\n0.389516 0.943653 0.203069 O\n",
"nsites": 112,
"nelements": 3,
"elements": [
"Tl",
"B",
"O"
],
"chemical_system": "B-O-Tl",
"density": 3.7106381560929327,
"density_atomic": 0.08095669606904449,
"volume": 1383.45566751489,
"volume_molar": 7.4387185401735945,
"formula_full": "Tl8 B40 O64",
"formula_reduced": "TlB5O8",
"formula_anonymous": "AB5C8",
"energy": -902.88671825,
"energy_per_atom": -8.061488555803571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -858.91871825,
"band_gap": 5.1834,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.426000Z",
"spacegroup": 61
},
{
"id": "mp-1220515",
"created_at": "2022-09-04T14:42:47.062900Z",
"structure_string": "Nb4 C3\n1.0\n10.325345 -1.578837 0.000000\n10.325345 1.578837 0.000000\n10.083927 0.000000 2.723949\nNb C\n4 3\ndirect\n0.623045 0.623045 0.623045 Nb\n0.376955 0.376955 0.376955 Nb\n0.875759 0.875759 0.875759 Nb\n0.124241 0.124241 0.124241 Nb\n0.752574 0.752574 0.752574 C\n0.000000 0.000000 0.000000 C\n0.247426 0.247426 0.247426 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Nb",
"C"
],
"chemical_system": "C-Nb",
"density": 7.622085694370081,
"density_atomic": 0.0788183256981656,
"volume": 88.81183326332592,
"volume_molar": 7.640533729505698,
"formula_full": "Nb4 C3",
"formula_reduced": "Nb4C3",
"formula_anonymous": "A3B4",
"energy": -71.40677693,
"energy_per_atom": -10.200968132857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.40677693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.387000Z",
"spacegroup": 166
},
{
"id": "mp-672708",
"created_at": "2022-09-04T14:42:47.102037Z",
"structure_string": "Fe4 Cu8 S8\n1.0\n0.000000 5.407477 5.407477\n5.407477 0.000000 5.407477\n5.407477 5.407477 0.000000\nFe Cu S\n4 8 8\ndirect\n0.874787 0.874787 0.874787 Fe\n0.874787 0.375640 0.874787 Fe\n0.874787 0.874787 0.375640 Fe\n0.375640 0.874787 0.874787 Fe\n0.130306 0.609082 0.130306 Cu\n0.130306 0.130306 0.609082 Cu\n0.143581 0.618806 0.618806 Cu\n0.609082 0.130306 0.130306 Cu\n0.618806 0.143581 0.618806 Cu\n0.618806 0.618806 0.143581 Cu\n0.618806 0.618806 0.618806 Cu\n0.130306 0.130306 0.130306 Cu\n0.502716 0.997284 0.997284 S\n0.502716 0.997284 0.502716 S\n0.997284 0.502716 0.997284 S\n0.997284 0.502716 0.502716 S\n0.997284 0.997284 0.502716 S\n0.000000 0.000000 0.000000 S\n0.502716 0.502716 0.997284 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"S"
],
"chemical_system": "Cu-Fe-S",
"density": 5.1893121131825595,
"density_atomic": 0.0632435088537887,
"volume": 316.2379880951509,
"volume_molar": 9.522148389841014,
"formula_full": "Fe4 Cu8 S8",
"formula_reduced": "Fe(CuS)2",
"formula_anonymous": "AB2C2",
"energy": -106.37623401,
"energy_per_atom": -5.3188117005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.35223401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9592199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.841000Z",
"spacegroup": 216
},
{
"id": "mp-1215796",
"created_at": "2022-09-04T14:42:47.450619Z",
"structure_string": "Zr4 Co6 Mo2\n1.0\n2.527486 -4.377735 0.000000\n2.527486 4.377735 0.000000\n0.000000 0.000000 8.039456\nZr Co Mo\n4 6 2\ndirect\n0.333333 0.666667 0.437289 Zr\n0.666667 0.333333 0.562711 Zr\n0.666667 0.333333 0.937289 Zr\n0.333333 0.666667 0.062711 Zr\n0.828220 0.171780 0.250000 Co\n0.828220 0.656439 0.250000 Co\n0.343561 0.171780 0.250000 Co\n0.171780 0.828220 0.750000 Co\n0.171780 0.343561 0.750000 Co\n0.656439 0.828220 0.750000 Co\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Mo"
],
"chemical_system": "Co-Mo-Zr",
"density": 8.49717604162762,
"density_atomic": 0.06745068436284107,
"volume": 177.9077575469473,
"volume_molar": 8.928212985363908,
"formula_full": "Zr4 Co6 Mo2",
"formula_reduced": "Zr2Co3Mo",
"formula_anonymous": "AB2C3",
"energy": -101.61782121,
"energy_per_atom": -8.4681517675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.61782121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.022859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.500000Z",
"spacegroup": 194
},
{
"id": "mp-1048499",
"created_at": "2022-09-04T14:42:45.711544Z",
"structure_string": "Al2 Sn6 Se4 Cl2 O16\n1.0\n7.031159 0.000000 0.000000\n-0.028303 -8.961023 0.000000\n-1.370758 0.001626 -10.311465\nAl Sn Se Cl O\n2 6 4 2 16\ndirect\n0.735005 0.250088 0.252041 Al\n0.265988 0.747571 0.745478 Al\n0.020162 0.468054 0.917581 Sn\n0.936925 0.509273 0.507174 Sn\n0.980407 0.965801 0.086393 Sn\n0.862258 0.845383 0.770416 Sn\n0.143035 0.344725 0.230363 Sn\n0.062875 0.011586 0.493852 Sn\n0.563217 0.758489 0.012869 Se\n0.435541 0.257376 0.984943 Se\n0.522079 0.694409 0.509938 Se\n0.479701 0.193712 0.489214 Se\n0.911720 0.292975 0.706383 Cl\n0.076306 0.792057 0.306190 Cl\n0.934028 0.153334 0.198253 O\n0.590971 0.331726 0.116770 O\n0.416954 0.651107 0.648910 O\n0.739574 0.678235 0.938400 O\n0.272153 0.288764 0.430554 O\n0.379718 0.022921 0.516638 O\n0.066636 0.652761 0.801492 O\n0.668825 0.923278 0.076051 O\n0.729240 0.789016 0.571848 O\n0.260132 0.177792 0.061697 O\n0.887216 0.384785 0.337144 O\n0.114863 0.882236 0.660686 O\n0.330298 0.421400 0.921467 O\n0.621342 0.524649 0.479600 O\n0.411100 0.831712 0.879440 O\n0.581732 0.154785 0.348215 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Al",
"Sn",
"Se",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Sn",
"density": 3.6011624834921596,
"density_atomic": 0.046176006621169184,
"volume": 649.6880565294841,
"volume_molar": 13.041709755037969,
"formula_full": "Al2 Sn6 Se4 Cl2 O16",
"formula_reduced": "AlSn3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy": -179.79128075,
"energy_per_atom": -5.993042691666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.57128075,
"band_gap": 2.5163,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.023000Z",
"spacegroup": 1
},
{
"id": "mp-510558",
"created_at": "2022-09-04T14:42:45.768441Z",
"structure_string": "Rb4 Sr2 V8 O24\n1.0\n11.290137 0.000000 0.000000\n0.000000 11.290137 0.000000\n0.000000 0.000000 5.593068\nRb Sr V O\n4 2 8 24\ndirect\n0.750000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.250000 0.250000 0.500000 Rb\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.278215 0.000000 V\n0.278215 0.000000 0.000000 V\n0.721785 0.000000 0.000000 V\n0.000000 0.721785 0.000000 V\n0.500000 0.221785 0.000000 V\n0.221785 0.500000 0.000000 V\n0.778215 0.500000 0.000000 V\n0.500000 0.778215 0.000000 V\n0.129258 0.370742 0.941914 O\n0.370742 0.870742 0.941914 O\n0.629258 0.129258 0.941914 O\n0.870742 0.629258 0.941914 O\n0.870742 0.370742 0.058086 O\n0.129258 0.629258 0.058086 O\n0.370742 0.129258 0.058086 O\n0.629258 0.870742 0.058086 O\n0.805926 0.024950 0.242001 O\n0.024950 0.194074 0.242001 O\n0.975050 0.805926 0.242001 O\n0.194074 0.975050 0.242001 O\n0.194074 0.024950 0.757999 O\n0.805926 0.975050 0.757999 O\n0.024950 0.805926 0.757999 O\n0.975050 0.194074 0.757999 O\n0.694074 0.475050 0.757999 O\n0.475050 0.305926 0.757999 O\n0.524950 0.694074 0.757999 O\n0.305926 0.524950 0.757999 O\n0.305926 0.475050 0.242001 O\n0.694074 0.524950 0.242001 O\n0.475050 0.694074 0.242001 O\n0.524950 0.305926 0.242001 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Rb",
"Sr",
"V",
"O"
],
"chemical_system": "O-Rb-Sr-V",
"density": 3.048014636314787,
"density_atomic": 0.053300965179835846,
"volume": 712.9326808959115,
"volume_molar": 11.298370938840375,
"formula_full": "Rb4 Sr2 V8 O24",
"formula_reduced": "Rb2SrV4O12",
"formula_anonymous": "AB2C4D12",
"energy": -296.03650563,
"energy_per_atom": -7.7904343586842115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.94850563,
"band_gap": 2.7936,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.017196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.964000Z",
"spacegroup": 125
},
{
"id": "mp-22127",
"created_at": "2022-09-04T14:42:45.774732Z",
"structure_string": "Yb4 Ge4 O14\n1.0\n0.000000 5.000134 5.000134\n5.000134 0.000000 5.000134\n5.000134 5.000134 0.000000\nYb Ge O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Yb\n0.125000 0.625000 0.125000 Yb\n0.625000 0.125000 0.125000 Yb\n0.125000 0.125000 0.125000 Yb\n0.625000 0.625000 0.125000 Ge\n0.625000 0.125000 0.625000 Ge\n0.125000 0.625000 0.625000 Ge\n0.625000 0.625000 0.625000 Ge\n0.549556 0.950444 0.549556 O\n0.299556 0.700444 0.299556 O\n0.549556 0.549556 0.950444 O\n0.950444 0.549556 0.549556 O\n0.549556 0.950444 0.950444 O\n0.950444 0.950444 0.549556 O\n0.700444 0.700444 0.299556 O\n0.299556 0.299556 0.700444 O\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.950444 0.549556 0.950444 O\n0.700444 0.299556 0.299556 O\n0.299556 0.700444 0.700444 O\n0.700444 0.299556 0.700444 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"O"
],
"chemical_system": "Ge-O-Yb",
"density": 8.014522630788846,
"density_atomic": 0.08799292517921378,
"volume": 250.02010053868483,
"volume_molar": 6.843891992151417,
"formula_full": "Yb4 Ge4 O14",
"formula_reduced": "Yb2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy": -148.55065491,
"energy_per_atom": -6.752302495909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.93265491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.02795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.096000Z",
"spacegroup": 227
},
{
"id": "mp-772719",
"created_at": "2022-09-04T14:42:45.787818Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.806084 0.000000 0.000000\n4.882260 8.518583 0.000000\n0.006902 0.002096 13.925008\nLi V P O\n12 6 16 58\ndirect\n0.229224 0.094289 0.560435 Li\n0.093305 0.678613 0.558718 Li\n0.330690 0.327717 0.885894 Li\n0.235516 0.672605 0.063588 Li\n0.670849 0.096971 0.063691 Li\n0.323565 0.772353 0.438587 Li\n0.679644 0.228190 0.558308 Li\n0.768782 0.334734 0.943456 Li\n0.905155 0.325368 0.435527 Li\n0.771225 0.905381 0.438072 Li\n0.900299 0.764249 0.940901 Li\n0.040509 0.017112 0.000080 Li\n0.432689 0.567871 0.250372 V\n0.566344 0.435503 0.751346 V\n0.430071 0.997066 0.753464 V\n0.564934 0.998918 0.248899 V\n0.003327 0.428626 0.245382 V\n0.995923 0.568459 0.748031 V\n0.087424 0.224678 0.841527 P\n0.231987 0.086450 0.342020 P\n0.086860 0.679900 0.341835 P\n0.333912 0.334354 0.126541 P\n0.333712 0.333427 0.628321 P\n0.224884 0.683452 0.843359 P\n0.318843 0.768007 0.658613 P\n0.684664 0.088822 0.844206 P\n0.310253 0.914294 0.156665 P\n0.679201 0.231552 0.341278 P\n0.771689 0.315952 0.158254 P\n0.669284 0.664896 0.371199 P\n0.665007 0.667848 0.872973 P\n0.913709 0.316815 0.655344 P\n0.765552 0.914908 0.658388 P\n0.912478 0.771411 0.158223 P\n0.002359 0.246869 0.563813 O\n0.084842 0.250913 0.341168 O\n0.211035 0.994696 0.072216 O\n0.257231 0.084141 0.839257 O\n0.099073 0.375696 0.832673 O\n0.192986 0.324686 0.169617 O\n0.094422 0.522392 0.323399 O\n0.998806 0.773542 0.068477 O\n0.077332 0.661680 0.837676 O\n0.327332 0.187676 0.668812 O\n0.381704 0.097723 0.322451 O\n0.185681 0.487656 0.667350 O\n0.335351 0.337659 0.018089 O\n0.341026 0.334255 0.521307 O\n0.323286 0.490047 0.165014 O\n0.519662 0.108020 0.830472 O\n0.489911 0.189183 0.163968 O\n0.252280 0.662910 0.343145 O\n0.208412 0.788564 0.750785 O\n0.240395 0.756942 0.568322 O\n0.218360 0.767149 0.934252 O\n0.372644 0.518810 0.830994 O\n0.485194 0.331328 0.673445 O\n0.339613 0.742453 0.163111 O\n0.519905 0.380501 0.322254 O\n0.662169 0.083723 0.342323 O\n0.210472 0.993613 0.254582 O\n0.246753 0.999070 0.434033 O\n0.755026 0.003468 0.567881 O\n0.331082 0.919028 0.659570 O\n0.479225 0.621115 0.675012 O\n0.669826 0.252308 0.845225 O\n0.513152 0.673632 0.332393 O\n0.618958 0.471132 0.169709 O\n0.776690 0.225499 0.068642 O\n0.756118 0.245788 0.431399 O\n0.791351 0.206953 0.250482 O\n0.749936 0.333084 0.656432 O\n0.516487 0.807829 0.828493 O\n0.465944 0.914038 0.167379 O\n0.669515 0.512419 0.830588 O\n0.671957 0.656683 0.979693 O\n0.668087 0.668995 0.478723 O\n0.814688 0.511996 0.331423 O\n0.614936 0.908065 0.678135 O\n0.674549 0.813033 0.329582 O\n0.915555 0.339345 0.162471 O\n0.008534 0.204848 0.743867 O\n0.994220 0.215338 0.923904 O\n0.902870 0.476801 0.677823 O\n0.811596 0.673708 0.831911 O\n0.904005 0.622133 0.171377 O\n0.745921 0.918829 0.160178 O\n0.770317 0.995951 0.932538 O\n0.789815 0.001615 0.750200 O\n0.913579 0.749623 0.657383 O\n0.997137 0.758968 0.432078 O\n0.999838 0.792862 0.250842 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.587411060520938,
"density_atomic": 0.07909142595403758,
"volume": 1163.2107891627088,
"volume_molar": 7.614151202052733,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.74138299,
"energy_per_atom": -7.562406336847826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.69538299,
"band_gap": 1.0847,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.001058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.079000Z",
"spacegroup": 1
},
{
"id": "mp-559248",
"created_at": "2022-09-04T14:42:45.792365Z",
"structure_string": "V4 H40 N8 O8 F16\n1.0\n9.807839 0.000000 0.000000\n0.000000 7.079551 0.000000\n0.000000 2.080537 10.101509\nV H N O F\n4 40 8 8 16\ndirect\n0.046034 0.229908 0.750196 V\n0.453966 0.229908 0.250196 V\n0.546034 0.770092 0.749804 V\n0.953966 0.770092 0.249804 V\n0.564500 0.894546 0.157189 H\n0.858208 0.376515 0.947647 H\n0.935500 0.894546 0.657189 H\n0.641792 0.376515 0.447647 H\n0.466671 0.220540 0.967239 H\n0.225494 0.662024 0.443736 H\n0.418990 0.349368 0.815043 H\n0.033329 0.220540 0.467239 H\n0.533329 0.779460 0.032761 H\n0.435500 0.105454 0.842811 H\n0.358208 0.623485 0.552353 H\n0.872236 0.952608 0.936192 H\n0.064500 0.105454 0.342811 H\n0.350322 0.498858 0.430288 H\n0.918990 0.650632 0.684957 H\n0.695917 0.793472 0.089518 H\n0.725494 0.337976 0.056264 H\n0.195917 0.206528 0.410482 H\n0.878781 0.258197 0.108597 H\n0.081010 0.349368 0.315043 H\n0.127764 0.047392 0.063808 H\n0.966671 0.779460 0.532761 H\n0.775193 0.053337 0.818251 H\n0.274506 0.662024 0.943736 H\n0.850322 0.501142 0.069712 H\n0.378781 0.741803 0.391403 H\n0.649678 0.501142 0.569712 H\n0.774506 0.337976 0.556264 H\n0.581010 0.650632 0.184957 H\n0.372236 0.047392 0.563808 H\n0.621219 0.258197 0.608597 H\n0.804083 0.793472 0.589518 H\n0.304083 0.206528 0.910482 H\n0.121219 0.741803 0.891403 H\n0.224807 0.946663 0.181749 H\n0.627764 0.952608 0.436192 H\n0.275193 0.946663 0.681749 H\n0.724807 0.053337 0.318251 H\n0.141792 0.623485 0.052353 H\n0.149678 0.498858 0.930288 H\n0.093866 0.219769 0.384177 N\n0.170933 0.630505 0.954415 N\n0.329067 0.630505 0.454415 N\n0.670933 0.369495 0.545585 N\n0.593866 0.780231 0.115823 N\n0.906134 0.780231 0.615823 N\n0.406134 0.219769 0.884177 N\n0.829067 0.369495 0.045585 N\n0.363520 0.934547 0.637840 O\n0.669364 0.652598 0.839008 O\n0.636480 0.065453 0.362160 O\n0.830636 0.652598 0.339008 O\n0.863520 0.065453 0.862160 O\n0.169364 0.347402 0.660992 O\n0.330636 0.347402 0.160992 O\n0.136480 0.934547 0.137840 O\n0.935638 0.444304 0.786323 F\n0.064362 0.555696 0.213677 F\n0.887221 0.036915 0.242458 F\n0.925815 0.204038 0.600181 F\n0.877489 0.776273 0.070023 F\n0.122511 0.223727 0.929977 F\n0.574185 0.204038 0.100181 F\n0.074185 0.795962 0.399819 F\n0.622511 0.776273 0.570023 F\n0.387221 0.963085 0.257542 F\n0.112779 0.963085 0.757542 F\n0.435638 0.555696 0.713677 F\n0.377489 0.223727 0.429977 F\n0.612779 0.036915 0.742458 F\n0.425815 0.795962 0.899819 F\n0.564362 0.444304 0.286323 F\n",
"nsites": 76,
"nelements": 5,
"elements": [
"V",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-V",
"density": 1.8658163846445712,
"density_atomic": 0.10835483480999902,
"volume": 701.3992512033869,
"volume_molar": 5.557796078559731,
"formula_full": "V4 H40 N8 O8 F16",
"formula_reduced": "VH10N2(OF2)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -421.72309214000006,
"energy_per_atom": -5.548988054473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -399.14709214,
"band_gap": 1.2580999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999917,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.634000Z",
"spacegroup": 14
},
{
"id": "mp-1213428",
"created_at": "2022-09-04T14:42:45.794718Z",
"structure_string": "Dy4 Mn34 C6\n1.0\n0.000000 0.000000 -8.323825\n-4.273589 -7.402074 0.000000\n-4.273589 7.402074 0.000000\nDy Mn C\n4 34 6\ndirect\n0.750000 0.666667 0.333333 Dy\n0.250000 0.333333 0.666667 Dy\n0.750000 0.000000 0.000000 Dy\n0.250000 0.000000 0.000000 Dy\n0.750000 0.614393 0.672227 Mn\n0.250000 0.385607 0.327773 Mn\n0.750000 0.057834 0.385607 Mn\n0.250000 0.942166 0.327773 Mn\n0.250000 0.942166 0.614393 Mn\n0.750000 0.057834 0.672227 Mn\n0.750000 0.327773 0.942166 Mn\n0.250000 0.672227 0.614393 Mn\n0.250000 0.672227 0.057834 Mn\n0.750000 0.327773 0.385607 Mn\n0.250000 0.385607 0.057834 Mn\n0.750000 0.614393 0.942166 Mn\n0.388949 0.666667 0.333333 Mn\n0.611051 0.333333 0.666667 Mn\n0.888949 0.333333 0.666667 Mn\n0.111051 0.666667 0.333333 Mn\n0.976520 0.827397 0.172603 Mn\n0.023480 0.172603 0.827397 Mn\n0.976520 0.345207 0.172603 Mn\n0.476520 0.172603 0.827397 Mn\n0.023480 0.654793 0.827397 Mn\n0.523480 0.827397 0.172603 Mn\n0.976520 0.827397 0.654793 Mn\n0.476520 0.654793 0.827397 Mn\n0.023480 0.172603 0.345207 Mn\n0.523480 0.345207 0.172603 Mn\n0.476520 0.172603 0.345207 Mn\n0.523480 0.827397 0.654793 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.836127 0.163873 C\n0.250000 0.163873 0.836127 C\n0.750000 0.327746 0.163873 C\n0.250000 0.672254 0.836127 C\n0.750000 0.836127 0.672254 C\n0.250000 0.163873 0.327746 C\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"C"
],
"chemical_system": "C-Dy-Mn",
"density": 8.166625897285941,
"density_atomic": 0.08355136788303381,
"volume": 526.6221381509514,
"volume_molar": 7.207710552902717,
"formula_full": "Dy4 Mn34 C6",
"formula_reduced": "Dy2Mn17C3",
"formula_anonymous": "A2B3C17",
"energy": -389.35224534,
"energy_per_atom": -8.848914666818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.35224534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0430411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.412000Z",
"spacegroup": 194
}
]
}