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"results": [
{
"id": "mp-759715",
"created_at": "2022-09-04T14:42:42.718768Z",
"structure_string": "K6 Li12 Sb6 P12 O48\n1.0\n-10.193545 0.000000 0.000000\n5.013333 8.893145 0.000000\n-2.361417 -4.346351 -12.578323\nK Li Sb P O\n6 12 6 12 48\ndirect\n0.498127 0.002134 0.999154 K\n0.667181 0.502092 0.335413 K\n0.003378 0.486852 0.984701 K\n0.838262 0.032232 0.668015 K\n0.165821 0.998103 0.333340 K\n0.302421 0.498715 0.669786 K\n0.686883 0.614073 0.599492 Li\n0.649361 0.388738 0.073482 Li\n0.481577 0.887014 0.742460 Li\n0.017780 0.611529 0.256135 Li\n0.842049 0.108935 0.921380 Li\n0.815514 0.884178 0.407156 Li\n0.181625 0.113443 0.590742 Li\n0.826981 0.626498 0.916255 Li\n0.147209 0.886913 0.074407 Li\n0.517559 0.114133 0.259420 Li\n0.351353 0.617434 0.920830 Li\n0.320450 0.388338 0.408138 Li\n0.005084 0.015245 0.002936 Sb\n0.166144 0.501776 0.335731 Sb\n0.485363 0.500843 0.006557 Sb\n0.332193 0.000431 0.665677 Sb\n0.665343 0.996103 0.331977 Sb\n0.842356 0.481417 0.660681 Sb\n0.335762 0.248501 0.168715 P\n0.831456 0.255367 0.165233 P\n0.505047 0.746493 0.502884 P\n0.833172 0.740843 0.166835 P\n0.997511 0.752356 0.499072 P\n0.666308 0.249749 0.830679 P\n0.329105 0.752385 0.164867 P\n0.004174 0.247260 0.493976 P\n0.169938 0.248906 0.834476 P\n0.498318 0.249539 0.498665 P\n0.165222 0.757599 0.840510 P\n0.663172 0.752358 0.833457 P\n0.417305 0.183186 0.207084 O\n0.337209 0.397487 0.259004 O\n0.180029 0.913075 0.931297 O\n0.419739 0.294241 0.068094 O\n0.248284 0.794360 0.737851 O\n0.339685 0.611013 0.470374 O\n0.749191 0.316693 0.123628 O\n0.587443 0.681151 0.540191 O\n0.503770 0.892808 0.594838 O\n0.590408 0.797187 0.403686 O\n0.668691 0.604124 0.142852 O\n0.499079 0.117295 0.810478 O\n0.995429 0.390467 0.198511 O\n0.826098 0.893345 0.867487 O\n0.911352 0.698769 0.594752 O\n0.004822 0.607974 0.405853 O\n0.924462 0.691024 0.210079 O\n0.917171 0.815339 0.456867 O\n0.750854 0.190341 0.872508 O\n0.834784 0.894517 0.252454 O\n0.679837 0.409402 0.918406 O\n0.908688 0.772387 0.059831 O\n0.736650 0.281885 0.724385 O\n0.840205 0.108646 0.465834 O\n0.161517 0.891391 0.532376 O\n0.244137 0.703753 0.263171 O\n0.084755 0.201848 0.935696 O\n0.328187 0.601576 0.072428 O\n0.174493 0.101504 0.745475 O\n0.247704 0.813225 0.122488 O\n0.088135 0.195111 0.542692 O\n0.086316 0.309089 0.794594 O\n0.001374 0.402103 0.574226 O\n0.090888 0.286198 0.392719 O\n0.169615 0.114206 0.138279 O\n0.992900 0.639242 0.818959 O\n0.494236 0.885763 0.194875 O\n0.333745 0.386892 0.869759 O\n0.405524 0.200827 0.596030 O\n0.500820 0.100660 0.408046 O\n0.420253 0.312382 0.454491 O\n0.240226 0.685067 0.878539 O\n0.662700 0.382432 0.533036 O\n0.743022 0.202528 0.261979 O\n0.577687 0.705049 0.934138 O\n0.836952 0.110441 0.072228 O\n0.671340 0.606850 0.747728 O\n0.576753 0.811355 0.793298 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
"K",
"Li",
"Sb",
"P",
"O"
],
"chemical_system": "K-Li-O-P-Sb",
"density": 3.1864898137021833,
"density_atomic": 0.07366749891015788,
"volume": 1140.2586112288575,
"volume_molar": 8.17475935669321,
"formula_full": "K6 Li12 Sb6 P12 O48",
"formula_reduced": "KLi2Sb(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy": -565.29876638,
"energy_per_atom": -6.729747218809523,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -532.32276638,
"band_gap": 3.4286000000000003,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.781000Z",
"spacegroup": 1
},
{
"id": "mp-1110920",
"created_at": "2022-09-04T14:42:42.739890Z",
"structure_string": "K2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.415794 5.415794\n5.415794 0.000000 5.415794\n5.415794 5.415794 0.000000\nK Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.749544 0.250456 0.250456 Cl\n0.250456 0.250456 0.749544 Cl\n0.250456 0.749544 0.749544 Cl\n0.250456 0.749544 0.250456 Cl\n0.749544 0.250456 0.749544 Cl\n0.749544 0.749544 0.250456 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-K",
"density": 3.176633353516061,
"density_atomic": 0.031476294063864874,
"volume": 317.69940831376675,
"volume_molar": 19.13230556234218,
"formula_full": "K2 Ag1 Bi1 Cl6",
"formula_reduced": "K2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.30772009,
"energy_per_atom": -3.6307720089999997,
"energy_above_hull": null,
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"energy_uncorrected": -32.62372009,
"band_gap": 2.0583,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.392000Z",
"spacegroup": 225
},
{
"id": "mp-726119",
"created_at": "2022-09-04T14:42:42.752079Z",
"structure_string": "Te2 I2 N2 O20\n1.0\n-6.510115 0.000000 0.000000\n-2.250866 -7.188806 0.000000\n-0.752137 -1.812573 12.156161\nTe I N O\n2 2 2 20\ndirect\n0.748958 0.676138 0.254124 Te\n0.251042 0.323862 0.745876 Te\n0.784878 0.627431 0.788669 I\n0.215122 0.372569 0.211331 I\n0.636423 0.213071 0.947664 N\n0.363577 0.786929 0.052336 N\n0.840336 0.410017 0.249755 O\n0.159664 0.589983 0.750245 O\n0.760222 0.415879 0.544816 O\n0.239778 0.584121 0.455184 O\n0.608186 0.751478 0.377525 O\n0.391814 0.248522 0.622475 O\n0.374407 0.485031 0.398463 O\n0.625593 0.514969 0.601537 O\n0.019718 0.708741 0.238737 O\n0.980282 0.291259 0.761263 O\n0.606543 0.781119 0.118912 O\n0.393457 0.218881 0.881088 O\n0.218677 0.900928 0.077772 O\n0.781323 0.099072 0.922228 O\n0.205838 0.478880 0.070113 O\n0.794162 0.521120 0.929887 O\n0.420321 0.150833 0.206212 O\n0.579679 0.849167 0.793788 O\n0.083552 0.012644 0.478620 O\n0.916448 0.987356 0.521380 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Te",
"I",
"N",
"O"
],
"chemical_system": "I-N-O-Te",
"density": 2.501458440113315,
"density_atomic": 0.04570160795939925,
"volume": 568.9077728533771,
"volume_molar": 13.177087259927475,
"formula_full": "Te2 I2 N2 O20",
"formula_reduced": "TeINO10",
"formula_anonymous": "ABCD10",
"energy": -129.95327577,
"energy_per_atom": -4.998202914230769,
"energy_above_hull": null,
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"energy_uncorrected": -126.73327577,
"band_gap": 0.7315999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.074000Z",
"spacegroup": 2
},
{
"id": "mp-710168",
"created_at": "2022-09-04T14:42:42.755966Z",
"structure_string": "Te4 Pb6 Cl4 O12\n1.0\n2.853305 8.387975 0.000000\n-2.853305 8.387975 0.000000\n0.000000 2.667279 10.784142\nTe Pb Cl O\n4 6 4 12\ndirect\n0.397060 0.400484 0.047931 Te\n0.876287 0.872623 0.593863 Te\n0.127194 0.124441 0.410301 Te\n0.595869 0.610130 0.950059 Te\n0.668619 0.653789 0.609848 Pb\n0.740266 0.737985 0.197996 Pb\n0.343316 0.338505 0.392489 Pb\n0.971495 0.985636 0.202626 Pb\n0.029045 0.016040 0.797473 Pb\n0.268666 0.251973 0.798359 Pb\n0.178665 0.190419 0.097140 Cl\n0.548364 0.535766 0.295806 Cl\n0.466048 0.455447 0.698167 Cl\n0.823160 0.808178 0.900275 Cl\n0.026734 0.550685 0.619102 O\n0.902720 0.893655 0.418563 O\n0.864566 0.400961 0.810738 O\n0.962638 0.459382 0.383897 O\n0.596587 0.138228 0.188631 O\n0.555395 0.022928 0.612885 O\n0.402813 0.859859 0.818791 O\n0.133737 0.599419 0.189320 O\n0.722872 0.281294 0.001135 O\n0.111419 0.098361 0.578443 O\n0.447548 0.973237 0.380853 O\n0.293354 0.710259 0.999675 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Te",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Te",
"density": 6.714827447343146,
"density_atomic": 0.05036773596121097,
"volume": 516.2034684271501,
"volume_molar": 11.956345952571207,
"formula_full": "Te4 Pb6 Cl4 O12",
"formula_reduced": "Te2Pb3(ClO3)2",
"formula_anonymous": "A2B2C3D6",
"energy": -142.41687152,
"energy_per_atom": -5.477571981538461,
"energy_above_hull": null,
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"energy_uncorrected": -131.71687152,
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"updated_at": "2021-11-28T01:35:56.499000Z",
"spacegroup": 1
},
{
"id": "mp-36329",
"created_at": "2022-09-04T14:42:42.757820Z",
"structure_string": "Sr1 U1 O4\n1.0\n6.359495 -1.972872 0.000000\n6.359495 1.972872 0.000000\n5.747461 0.000000 3.361858\nSr U O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 U\n0.106093 0.106093 0.106093 O\n0.359041 0.359041 0.359041 O\n0.640959 0.640959 0.640959 O\n0.893907 0.893907 0.893907 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"U",
"O"
],
"chemical_system": "O-Sr-U",
"density": 7.669887389851708,
"density_atomic": 0.07112468399780811,
"volume": 84.35889852508737,
"volume_molar": 8.467019354610542,
"formula_full": "Sr1 U1 O4",
"formula_reduced": "SrUO4",
"formula_anonymous": "ABC4",
"energy": -54.787119540000006,
"energy_per_atom": -9.13118659,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 1.9794999999999996,
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"is_magnetic": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.542000Z",
"spacegroup": 166
},
{
"id": "mp-867840",
"created_at": "2022-09-04T14:42:42.859983Z",
"structure_string": "Be1 Fe1 Rh2\n1.0\n0.000000 2.913532 2.913532\n2.913532 0.000000 2.913532\n2.913532 2.913532 0.000000\nBe Fe Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
"Be",
"Fe",
"Rh"
],
"chemical_system": "Be-Fe-Rh",
"density": 9.086506267748957,
"density_atomic": 0.08086686713684965,
"volume": 49.46401587724261,
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"formula_full": "Be1 Fe1 Rh2",
"formula_reduced": "BeFeRh2",
"formula_anonymous": "ABC2",
"energy": -28.24286729,
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"updated_at": "2021-11-28T01:35:49.946000Z",
"spacegroup": 225
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{
"id": "mp-764957",
"created_at": "2022-09-04T14:42:42.733004Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n5.028037 0.000000 0.000000\n0.000000 6.280782 0.000000\n0.000000 0.000000 10.750735\nLi Co Si O\n8 4 4 16\ndirect\n0.758128 0.004548 0.169822 Li\n0.757504 0.250705 0.912658 Li\n0.757504 0.249295 0.412658 Li\n0.758128 0.495452 0.669822 Li\n0.258128 0.504548 0.330178 Li\n0.257504 0.750705 0.587342 Li\n0.257504 0.749295 0.087342 Li\n0.258128 0.995452 0.830178 Li\n0.260336 0.240194 0.585276 Co\n0.260336 0.259806 0.085276 Co\n0.760336 0.740194 0.914724 Co\n0.760336 0.759806 0.414724 Co\n0.263558 0.005229 0.332831 Si\n0.263558 0.494771 0.832831 Si\n0.763558 0.505229 0.167169 Si\n0.763558 0.994771 0.667169 Si\n0.091251 0.994639 0.667203 O\n0.156156 0.007333 0.186904 O\n0.157514 0.277929 0.906378 O\n0.658677 0.213047 0.595108 O\n0.658677 0.286953 0.095108 O\n0.157514 0.222071 0.406378 O\n0.156156 0.492667 0.686904 O\n0.091251 0.505361 0.167203 O\n0.591251 0.494639 0.832797 O\n0.656156 0.507333 0.313096 O\n0.657514 0.777929 0.593622 O\n0.158677 0.713047 0.904892 O\n0.158677 0.786953 0.404892 O\n0.657514 0.722071 0.093622 O\n0.656156 0.992667 0.813096 O\n0.591251 0.005361 0.332797 O\n",
"nsites": 32,
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"elements": [
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"Co",
"Si",
"O"
],
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"density": 3.2260783638954855,
"density_atomic": 0.09425396674663244,
"volume": 339.50825736619,
"volume_molar": 6.389270359504697,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.53504453,
"energy_per_atom": -7.0167201415625,
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"updated_at": "2021-11-28T01:35:48.671000Z",
"spacegroup": 33
},
{
"id": "mp-28002",
"created_at": "2022-09-04T14:42:42.742659Z",
"structure_string": "Rb3 Mn2 Br7\n1.0\n-2.704192 2.704192 13.905905\n2.704192 -2.704192 13.905905\n2.704192 2.704192 -13.905905\nRb Mn Br\n3 2 7\ndirect\n0.180824 0.180824 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.819176 0.819176 0.000000 Rb\n0.400082 0.400082 0.000000 Mn\n0.599918 0.599918 0.000000 Mn\n0.904080 0.404080 0.500000 Br\n0.404080 0.904080 0.500000 Br\n0.305558 0.305558 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.694442 0.694442 0.000000 Br\n0.095920 0.595920 0.500000 Br\n0.595920 0.095920 0.500000 Br\n",
"nsites": 12,
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"elements": [
"Rb",
"Mn",
"Br"
],
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"density": 3.778693451457324,
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"volume": 406.75630802752545,
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"formula_full": "Rb3 Mn2 Br7",
"formula_reduced": "Rb3Mn2Br7",
"formula_anonymous": "A2B3C7",
"energy": -51.85333345000001,
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"updated_at": "2021-11-28T01:35:52.199000Z",
"spacegroup": 139
},
{
"id": "mp-1096708",
"created_at": "2022-09-04T14:42:42.746376Z",
"structure_string": "Na1 Ag1 Pd2\n1.0\n-5.372039 5.864819 8.279214\n5.372039 -5.864819 8.279214\n5.372039 5.864819 -8.279214\nNa Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ag\n0.000000 0.255368 0.255368 Pd\n0.000000 0.744632 0.744632 Pd\n",
"nsites": 4,
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"elements": [
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:47.967000Z",
"spacegroup": 71
},
{
"id": "mp-1220119",
"created_at": "2022-09-04T14:42:42.746751Z",
"structure_string": "Pr2 H36 Br6 O36\n1.0\n6.019869 -10.426719 0.000000\n6.019869 10.426719 0.000000\n0.000000 0.000000 6.855731\nPr H Br O\n2 36 6 36\ndirect\n0.666667 0.333333 0.749342 Pr\n0.333333 0.666667 0.249342 Pr\n0.628962 0.126396 0.429919 H\n0.497434 0.371038 0.429919 H\n0.873604 0.502566 0.429919 H\n0.497434 0.126396 0.429919 H\n0.873604 0.371038 0.429919 H\n0.628962 0.502566 0.429919 H\n0.370962 0.873448 0.570191 H\n0.502485 0.629038 0.570191 H\n0.126552 0.497515 0.570191 H\n0.502485 0.873448 0.570191 H\n0.126552 0.629038 0.570191 H\n0.370962 0.497515 0.570191 H\n0.371038 0.873604 0.929919 H\n0.502566 0.628962 0.929919 H\n0.126396 0.497434 0.929919 H\n0.502566 0.873604 0.929919 H\n0.126396 0.628962 0.929919 H\n0.371038 0.497434 0.929919 H\n0.629038 0.126552 0.070191 H\n0.497515 0.370962 0.070191 H\n0.873448 0.502485 0.070191 H\n0.497515 0.126552 0.070191 H\n0.873448 0.370962 0.070191 H\n0.629038 0.502485 0.070191 H\n0.883603 0.633165 0.754165 H\n0.749563 0.116397 0.754165 H\n0.366835 0.250437 0.754165 H\n0.749563 0.633165 0.754165 H\n0.366835 0.116397 0.754165 H\n0.883603 0.250437 0.754165 H\n0.116397 0.366835 0.254165 H\n0.250437 0.883603 0.254165 H\n0.633165 0.749563 0.254165 H\n0.250437 0.366835 0.254165 H\n0.633165 0.883603 0.254165 H\n0.116397 0.749563 0.254165 H\n0.131221 0.262441 0.758023 Br\n0.131221 0.868779 0.758023 Br\n0.737559 0.868779 0.758023 Br\n0.868779 0.737559 0.258023 Br\n0.868779 0.131221 0.258023 Br\n0.262441 0.131221 0.258023 Br\n0.789735 0.579469 0.742532 O\n0.789735 0.210265 0.742532 O\n0.420531 0.210265 0.742532 O\n0.210265 0.420531 0.242532 O\n0.210265 0.789735 0.242532 O\n0.579469 0.789735 0.242532 O\n0.068987 0.362935 0.750155 O\n0.293949 0.931013 0.750155 O\n0.637065 0.706051 0.750155 O\n0.293949 0.362935 0.750155 O\n0.637065 0.931013 0.750155 O\n0.068987 0.706051 0.750155 O\n0.931013 0.637065 0.250155 O\n0.706051 0.068987 0.250155 O\n0.362935 0.293949 0.250155 O\n0.706051 0.637065 0.250155 O\n0.362935 0.068987 0.250155 O\n0.931013 0.293949 0.250155 O\n0.577869 0.155737 0.503664 O\n0.577869 0.422131 0.503664 O\n0.844263 0.422131 0.503664 O\n0.422177 0.844354 0.496017 O\n0.422177 0.577823 0.496017 O\n0.155646 0.577823 0.496017 O\n0.422131 0.844263 0.003664 O\n0.422131 0.577869 0.003664 O\n0.155737 0.577869 0.003664 O\n0.577823 0.155646 0.996017 O\n0.577823 0.422177 0.996017 O\n0.844354 0.422177 0.996017 O\n0.093482 0.186964 0.545727 O\n0.093482 0.906518 0.545727 O\n0.813036 0.906518 0.545727 O\n0.906518 0.813036 0.045727 O\n0.906518 0.093482 0.045727 O\n0.186964 0.093482 0.045727 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Pr",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O-Pr",
"density": 2.6500886747620105,
"density_atomic": 0.09295473403098094,
"volume": 860.6339508575943,
"volume_molar": 6.478573493624194,
"formula_full": "Pr2 H36 Br6 O36",
"formula_reduced": "PrH18(BrO6)3",
"formula_anonymous": "AB3C18D18",
"energy": -415.08311769,
"energy_per_atom": -5.188538971125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -390.35111769,
"band_gap": 4.4897,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.517000Z",
"spacegroup": 186
},
{
"id": "mp-1207842",
"created_at": "2022-09-04T14:42:42.865134Z",
"structure_string": "V2 Cd2 P2 H2 O12\n1.0\n6.915602 0.000000 0.000000\n0.000000 5.475252 0.000000\n0.000000 1.722194 7.172277\nV Cd P H O\n2 2 2 2 12\ndirect\n0.006380 0.934564 0.542804 V\n0.506380 0.065436 0.457196 V\n0.542808 0.507906 0.016193 Cd\n0.042808 0.492094 0.983807 Cd\n0.797801 0.944427 0.161584 P\n0.297801 0.055573 0.838416 P\n0.596413 0.602221 0.679275 H\n0.096413 0.397779 0.320725 H\n0.800863 0.752954 0.036691 O\n0.300863 0.247046 0.963309 O\n0.791131 0.218755 0.043483 O\n0.291131 0.781245 0.956517 O\n0.962679 0.651497 0.675295 O\n0.462679 0.348503 0.324705 O\n0.286059 0.911464 0.479215 O\n0.786059 0.088536 0.520785 O\n0.611145 0.888182 0.283523 O\n0.111145 0.111818 0.716477 O\n0.982921 0.903719 0.284187 O\n0.482921 0.096281 0.715813 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"V",
"Cd",
"P",
"H",
"O"
],
"chemical_system": "Cd-H-O-P-V",
"density": 3.5626572425393968,
"density_atomic": 0.07364424902269634,
"volume": 271.57585643702095,
"volume_molar": 8.17734017240646,
"formula_full": "V2 Cd2 P2 H2 O12",
"formula_reduced": "VCdPHO6",
"formula_anonymous": "ABCDE6",
"energy": -134.18682863,
"energy_per_atom": -6.7093414315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.54282863,
"band_gap": 2.0364,
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"is_magnetic": true,
"total_magnetization": 2.0002289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.016000Z",
"spacegroup": 4
},
{
"id": "mp-542772",
"created_at": "2022-09-04T14:42:42.877153Z",
"structure_string": "Cs2 Ag2 Cl4\n1.0\n2.222292 -9.747869 0.000000\n2.222292 9.747869 0.000000\n0.000000 0.000000 5.765873\nCs Ag Cl\n2 2 4\ndirect\n0.417482 0.582518 0.250000 Cs\n0.582518 0.417482 0.750000 Cs\n0.200417 0.799583 0.250000 Ag\n0.799583 0.200417 0.750000 Ag\n0.776125 0.223875 0.250000 Cl\n0.223875 0.776125 0.750000 Cl\n0.069059 0.930941 0.250000 Cl\n0.930941 0.069059 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs",
"density": 4.143636674832972,
"density_atomic": 0.03202462935343894,
"volume": 249.80773115929682,
"volume_molar": 18.804716499719042,
"formula_full": "Cs2 Ag2 Cl4",
"formula_reduced": "CsAgCl2",
"formula_anonymous": "ABC2",
"energy": -26.99661585,
"energy_per_atom": -3.37457698125,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -24.54061585,
"band_gap": 2.3353,
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"total_magnetization": 5.97e-05,
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"updated_at": "2021-11-28T01:36:03.575000Z",
"spacegroup": 63
}
]
}